# Supplementary Material (ESI) for New Journal of Chemistry # This journal is © The Royal Society of Chemistry and # The Centre National de la Recherche Scientifique, 2001 data__Template_texray.inf _database_code_CSD 171686 _audit_creation_date '19100-09-20' _audit_creation_method 'by teXsan for Windows v1.0' _audit_update_record ; ? ; _journal_coden_Cambridge 440 _publ_requested_journal 'New Journal of Chemistry' loop_ _publ_author_name 'Bagieu Beucher, M.' 'George, S.' 'Masse, R.' 'Muthuraman, M.' 'Nangia, A.' 'Nicoud, Jean-Francois' _publ_contact_author_name 'Dr A Nangia' _publ_contact_author_address ; School of Chemistry University of Hyderabad P O Central University Hyderabad 500046 INDIA ; _publ_contact_author_email 'ANSC@UOHYD.ERNET.IN' _publ_section_title ; Crystal Engineering of Neutral N-Aryl Pyrimidinones and their HCl, HNO3 Adducts With C-H...O Supramolecular Synthon. Implications Towards Non-Linear Optics ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation. (1997-1998). teXsan for Windows version 1.03. Single Crystal Structure Analysis Software. Version 1.04. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). J. Appl. Cryst., 26, 343. ; #============================================================================== _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan for Windows (MSC, 1997)' _computing_structure_solution ; SIR92 (Altomare, et. al. 1993) ; _computing_structure_refinement 'teXsan for Windows (MSC, 1997)' _computing_publication_material 'teXsan for Windows (MSC, 1997)' #------------------------------------------------------------------------------ _cell_length_a 12.602(2) _cell_length_b 10.201(3) _cell_length_c 23.118(6) _cell_angle_alpha 90 _cell_angle_beta 94.37(2) _cell_angle_gamma 90 _cell_volume 2963.3(11) _cell_formula_units_Z 8 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 3673 _cell_measurement_theta_min 1.3 _cell_measurement_theta_max 17.6 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/a ' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' '1/2-x,1/2+y, -z' ' -x, -y, -z' '1/2+x,1/2-y, +z' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description 'NONE' _exptl_crystal_colour 'NONE' _exptl_crystal_size_max 0.56 _exptl_crystal_size_mid 0.48 _exptl_crystal_size_min 0.29 _exptl_crystal_density_diffrn 1.239 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 276.34 _chemical_formula_analytical ? _chemical_formula_sum 'C18 H16 N2 O ' _chemical_formula_moiety '?' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 1168.00 _exptl_absorpt_coefficient_mu 0.050 _exptl_absorpt_correction_type none _exptl_special_details ; scan mode : 180 exposures \f = 1 \% ; #============================================================================== # EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.5608 _diffrn_radiation_type 'Ag K\a' _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'CCD' _diffrn_measurement_device 'KappaCCD' _diffrn_measurement_method 'Data from \f = 1\%, \f scans' _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% 0.00 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_reflns_number 6240 _reflns_number_total 3673 _reflns_number_gt 850 _reflns_threshold_expression I>3.00\s(I) _diffrn_reflns_av_R_equivalents 0.080 _diffrn_reflns_av_sigmaI/netI 0.098 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 0 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.3 _diffrn_reflns_theta_max 17.6 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.00000 _diffrn_orient_matrix_UB_12 0.00000 _diffrn_orient_matrix_UB_13 0.00000 _diffrn_orient_matrix_UB_21 0.00000 _diffrn_orient_matrix_UB_22 0.00000 _diffrn_orient_matrix_UB_23 0.00000 _diffrn_orient_matrix_UB_31 0.00000 _diffrn_orient_matrix_UB_32 0.00000 _diffrn_orient_matrix_UB_33 0.00000 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 144 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; H 0 128 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; N 0 16 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; O 0 8 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #============================================================================== # ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom O(1) 0.6539(6) 0.5868(8) -0.0107(3) 0.065(4) 1.000 . Uani d ? O(2) 0.6696(6) 1.0844(7) 0.4981(3) 0.051(3) 1.000 . Uani d ? N(1) 0.5411(7) 0.7395(10) 0.0220(4) 0.032(4) 1.000 . Uani d ? N(2) 0.5029(8) 0.6258(9) -0.0696(4) 0.047(4) 1.000 . Uani d ? N(3) 0.5476(7) 1.2402(10) 0.4687(4) 0.040(4) 1.000 . Uani d ? N(4) 0.5346(8) 1.1139(9) 0.5550(5) 0.050(4) 1.000 . Uani d ? C(1) 0.5678(11) 0.647(2) -0.0205(7) 0.042(5) 1.000 . Uiso d ? C(2) 0.4415(11) 0.7976(13) 0.0161(6) 0.054(4) 1.000 . Uiso d ? C(3) 0.3744(8) 0.7710(13) -0.0308(6) 0.052(4) 1.000 . Uiso d ? C(4) 0.4099(11) 0.6842(13) -0.0715(6) 0.062(5) 1.000 . Uiso d ? C(5) 0.4133(7) 0.8901(12) 0.0637(5) 0.059(4) 1.000 . Uiso d ? C(6) 0.3376(9) 0.6598(13) -0.1255(6) 0.090(5) 1.000 . Uiso d ? C(7) 0.6169(9) 0.7692(13) 0.0677(6) 0.037(4) 1.000 . Uiso d ? C(8) 0.6227(8) 0.6987(12) 0.1186(6) 0.056(4) 1.000 . Uiso d ? C(9) 0.6953(9) 0.7280(13) 0.1659(5) 0.062(4) 1.000 . Uiso d ? C(10) 0.7601(8) 0.8388(13) 0.1640(5) 0.039(4) 1.000 . Uiso d ? C(11) 0.7562(7) 0.9078(11) 0.1117(6) 0.046(4) 1.000 . Uiso d ? C(12) 0.6856(9) 0.8744(12) 0.0654(5) 0.053(4) 1.000 . Uiso d ? C(13) 0.8357(9) 0.8742(12) 0.2136(6) 0.042(4) 1.000 . Uiso d ? C(14) 0.8110(8) 0.8400(12) 0.2714(6) 0.056(4) 1.000 . Uiso d ? C(15) 0.8893(10) 0.8688(12) 0.3150(5) 0.070(5) 1.000 . Uiso d ? C(16) 0.9848(9) 0.9258(12) 0.3078(6) 0.058(4) 1.000 . Uiso d ? C(17) 1.0012(8) 0.9623(12) 0.2513(6) 0.061(4) 1.000 . Uiso d ? C(18) 0.9311(9) 0.9397(12) 0.2033(5) 0.060(4) 1.000 . Uiso d ? C(19) 0.5873(13) 1.142(2) 0.5082(7) 0.045(5) 1.000 . Uiso d ? C(20) 0.4540(10) 1.3024(12) 0.4765(6) 0.046(4) 1.000 . Uiso d ? C(21) 0.3982(7) 1.2735(12) 0.5235(5) 0.037(4) 1.000 . Uiso d ? C(22) 0.4448(9) 1.1776(12) 0.5617(5) 0.028(4) 1.000 . Uiso d ? C(23) 0.4155(7) 1.4030(10) 0.4320(5) 0.036(4) 1.000 . Uiso d ? C(24) 0.3834(7) 1.1441(11) 0.6130(5) 0.055(4) 1.000 . Uiso d ? C(25) 0.6096(8) 1.2740(12) 0.4211(5) 0.024(4) 1.000 . Uiso d ? C(26) 0.6944(8) 1.3642(11) 0.4325(5) 0.032(4) 1.000 . Uiso d ? C(27) 0.7599(7) 1.3949(10) 0.3901(5) 0.031(4) 1.000 . Uiso d ? C(28) 0.7432(8) 1.3362(11) 0.3341(5) 0.032(4) 1.000 . Uiso d ? C(29) 0.6593(8) 1.2470(12) 0.3245(4) 0.036(4) 1.000 . Uiso d ? C(30) 0.5961(7) 1.2143(11) 0.3667(6) 0.038(4) 1.000 . Uiso d ? C(31) 0.8146(9) 1.363(2) 0.2879(6) 0.050(4) 1.000 . Uiso d ? C(32) 0.8603(9) 1.487(1) 0.2843(5) 0.056(4) 1.000 . Uiso d ? C(33) 0.9338(9) 1.5220(13) 0.2438(6) 0.069(5) 1.000 . Uiso d ? C(34) 0.9561(8) 1.423(2) 0.2051(5) 0.069(5) 1.000 . Uiso d ? C(35) 0.9163(9) 1.298(2) 0.2082(5) 0.066(5) 1.000 . Uiso d ? C(36) 0.8464(8) 1.2676(12) 0.2503(5) 0.047(4) 1.000 . Uiso d ? H(1) 0.2940 0.8085 -0.0366 0.064 1.000 . Uiso c ? H(2) 0.4296 0.8411 0.1056 0.076 1.000 . Uiso c ? H(3) 0.4619 0.9773 0.0634 0.076 1.000 . Uiso c ? H(4) 0.3306 0.9164 0.0588 0.076 1.000 . Uiso c ? H(5) 0.2592 0.6345 -0.1130 0.111 1.000 . Uiso c ? H(6) 0.3320 0.7474 -0.1520 0.111 1.000 . Uiso c ? H(7) 0.3689 0.5805 -0.1497 0.111 1.000 . Uiso c ? H(8) 0.5704 0.6156 0.1222 0.069 1.000 . Uiso c ? H(9) 0.7010 0.6690 0.2046 0.072 1.000 . Uiso c ? H(10) 0.8089 0.9922 0.1077 0.057 1.000 . Uiso c ? H(11) 0.6849 0.9299 0.0250 0.061 1.000 . Uiso c ? H(12) 0.7361 0.7981 0.2810 0.071 1.000 . Uiso c ? H(13) 0.8741 0.8447 0.3596 0.074 1.000 . Uiso c ? H(14) 1.0437 0.9455 0.3435 0.069 1.000 . Uiso c ? H(15) 1.0764 1.0090 0.2435 0.070 1.000 . Uiso c ? H(16) 0.9457 0.9732 0.1599 0.065 1.000 . Uiso c ? H(17) 0.3202 1.3181 0.5285 0.049 1.000 . Uiso c ? H(18) 0.3829 1.4853 0.4530 0.041 1.000 . Uiso c ? H(19) 0.4804 1.4315 0.4076 0.041 1.000 . Uiso c ? H(20) 0.3539 1.3568 0.4033 0.041 1.000 . Uiso c ? H(21) 0.4284 1.1735 0.6525 0.061 1.000 . Uiso c ? H(22) 0.3068 1.1919 0.6103 0.061 1.000 . Uiso c ? H(23) 0.3719 1.0387 0.6137 0.061 1.000 . Uiso c ? H(24) 0.7061 1.4041 0.4765 0.038 1.000 . Uiso c ? H(25) 0.8233 1.4662 0.4001 0.045 1.000 . Uiso c ? H(26) 0.6501 1.2015 0.2810 0.045 1.000 . Uiso c ? H(27) 0.5332 1.1427 0.3564 0.045 1.000 . Uiso c ? H(28) 0.8403 1.5628 0.3152 0.063 1.000 . Uiso c ? H(29) 0.9709 1.6178 0.2404 0.084 1.000 . Uiso c ? H(30) 1.0106 1.4379 0.1718 0.080 1.000 . Uiso c ? H(31) 0.9352 1.2204 0.1774 0.073 1.000 . Uiso c ? H(32) 0.8151 1.1708 0.2549 0.059 1.000 . Uiso c ? 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 O(1) 0.042(5) 0.060(8) 0.094(8) -0.002(6) 0.013(5) -0.020(6) O(2) 0.036(5) 0.059(8) 0.059(7) 0.009(6) 0.000(5) 0.010(6) N(1) 0.025(7) 0.040(9) 0.028(8) -0.013(7) -0.009(5) -0.009(7) N(2) 0.039(7) 0.069(9) 0.034(8) -0.001(7) 0.007(6) -0.012(7) N(3) 0.011(7) 0.048(9) 0.062(9) -0.000(6) 0.000(6) 0.003(8) N(4) 0.033(7) 0.039(9) 0.077(10) 0.020(6) 0.002(6) 0.007(8) #============================================================================== # REFINEMENT DATA _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00002|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 850 _refine_ls_number_parameters 199 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0745 _refine_ls_R_factor_gt 0.0740 _refine_ls_wR_factor_all 0.0780 _refine_ls_wR_factor_ref 0.0780 _refine_ls_goodness_of_fit_all 1.758 _refine_ls_goodness_of_fit_ref 1.760 _refine_ls_shift/su_max 0.0200 _refine_ls_shift/su_mean 0.0043 _refine_diff_density_min -0.30 _refine_diff_density_max 0.34 #============================================================================== # MOLECULAR GEOMETRY _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 O1 C1 1.25(2) . . ? O2 C19 1.23(2) . . ? N1 C1 1.42(2) . . ? N1 C2 1.39(1) . . ? N1 C7 1.40(1) . . ? N2 C1 1.36(2) . . ? N2 C4 1.31(2) . . ? N3 C19 1.42(2) . . ? N3 C20 1.36(1) . . ? N3 C25 1.44(1) . . ? N4 C19 1.34(2) . . ? N4 C22 1.32(1) . . ? C2 C3 1.35(2) . . ? C2 C5 1.51(2) . . ? C3 C4 1.39(2) . . ? C3 H1 1.08 . . no C4 C6 1.51(2) . . ? C5 H2 1.10 . . no C5 H3 1.08 . . no C5 H4 1.07 . . no C6 H5 1.08 . . no C6 H6 1.08 . . no C6 H7 1.08 . . no C7 C8 1.38(2) . . ? C7 C12 1.38(2) . . ? C8 C9 1.40(2) . . ? C8 H8 1.08 . . no C9 C10 1.40(2) . . ? C9 H9 1.08 . . no C10 C11 1.40(2) . . ? C10 C13 1.48(2) . . ? C11 C12 1.38(2) . . ? C11 H10 1.10 . . no C12 H11 1.09 . . no C13 C14 1.44(2) . . ? C13 C18 1.41(2) . . ? C14 C15 1.39(2) . . ? C14 H12 1.07 . . no C15 C16 1.36(2) . . ? C15 H13 1.09 . . no C16 C17 1.39(2) . . ? C16 H14 1.09 . . no C17 C18 1.38(2) . . ? C17 H15 1.09 . . no C18 H16 1.09 . . no C20 C21 1.37(2) . . ? C20 C23 1.51(2) . . ? C21 C22 1.41(2) . . ? C21 H17 1.10 . . no C22 C24 1.50(2) . . ? C23 H18 1.07 . . no C23 H19 1.07 . . no C23 H20 1.09 . . no C24 H21 1.08 . . no C24 H22 1.08 . . no C24 H23 1.09 . . no C25 C26 1.42(2) . . ? C25 C30 1.40(2) . . ? C26 C27 1.36(2) . . ? C26 H24 1.09 . . no C27 C28 1.43(2) . . ? C27 H25 1.09 . . no C28 C29 1.40(2) . . ? C28 C31 1.48(2) . . ? C29 C30 1.35(2) . . ? C29 H26 1.11 . . no C30 H27 1.09 . . no C31 C32 1.39(2) . . ? C31 C36 1.39(2) . . ? C32 C33 1.41(2) . . ? C32 H28 1.10 . . no C33 C34 1.40(2) . . ? C33 H29 1.09 . . no C34 C35 1.37(2) . . ? C34 H30 1.08 . . no C35 C36 1.40(2) . . ? C35 H31 1.10 . . no C36 H32 1.07 . . 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 N1 O1 N2 64.3(6) . . . ? N1 O1 N2 81.9(4) . . . ? N1 O1 C1 34.0(11) . . . ? N1 O1 C1 83.1(6) . . . ? N1 O1 C2 12.2(5) . . . ? N1 O1 C2 110.1(5) . . . ? N1 O1 C3 31.6(5) . . . ? N1 O1 C3 108.0(5) . . . ? N1 O1 C3 120.1(5) . . . ? N1 O1 C4 51.3(5) . . . ? N1 O1 C4 100.7(5) . . . ? N1 O1 C5 111.4(5) . . . ? N1 O1 C7 31.8(3) . . . ? N1 O1 C8 48.1(5) . . . ? N1 O1 C11 152.5(6) . . . ? N1 O1 C12 45.2(4) . . . ? N1 O1 C12 176.6(6) . . . ? N1 O1 H1 107.1 . . . no N1 O1 H4 109.0 . . . no N1 O1 H5 87.3 . . . no N1 O1 H5 108.3 . . . no N1 O1 H8 52.1 . . . no N1 O1 H10 136.1 . . . no N1 O1 H11 47.2 . . . no N1 O1 H11 165.3 . . . no N1 O1 H16 110.0 . . . no N2 O1 N2 86.9(5) . . . ? N2 O1 C1 30.4(12) . . . ? N2 O1 C1 68.3(5) . . . ? N2 O1 C2 52.5(5) . . . ? N2 O1 C2 141.2(5) . . . ? N2 O1 C3 33.1(4) . . . ? N2 O1 C3 121.8(6) . . . ? N2 O1 C3 103.1(5) . . . ? N2 O1 C4 13.3(5) . . . ? N2 O1 C4 104.3(5) . . . ? N2 O1 C5 163.9(6) . . . ? N2 O1 C7 95.9(6) . . . ? N2 O1 C8 109.5(6) . . . ? N2 O1 C11 89.4(5) . . . ? N2 O1 C12 102.5(5) . . . ? N2 O1 C12 113.2(5) . . . ? N2 O1 H1 113.9 . . . no N2 O1 H4 170.7 . . . no N2 O1 H5 79.8 . . . no N2 O1 H5 137.8 . . . no N2 O1 H8 103.1 . . . no N2 O1 H10 74.9 . . . no N2 O1 H11 92.2 . . . no N2 O1 H11 130.3 . . . no N2 O1 H16 45.9 . . . no N2 O1 C1 83.3(10) 3_665 3_665 3_665 ? N2 O1 C1 21.1(3) 3_665 3_665 3_665 ? N2 O1 C2 79.7(4) 3_665 3_665 3_665 ? N2 O1 C2 131.6(5) 3_665 3_665 3_665 ? N2 O1 C3 80.0(4) 3_665 3_665 3_665 ? N2 O1 C3 151.3(6) 3_665 3_665 3_665 ? N2 O1 C3 38.2(3) 3_665 3_665 3_665 ? N2 O1 C4 82.8(4) 3_665 3_665 3_665 ? N2 O1 C4 21.5(3) 3_665 3_665 3_665 ? N2 O1 C5 108.3(5) 3_665 3_665 3_665 ? N2 O1 C7 86.5(5) 3_665 3_665 3_665 ? N2 O1 C8 67.9(4) 3_665 3_665 3_665 ? N2 O1 C11 105.7(4) 3_665 3_665 3_665 ? N2 O1 C12 107.6(4) 3_665 3_665 3_665 ? N2 O1 C12 100.5(4) 3_665 3_665 3_665 ? N2 O1 H1 159.2 3_665 3_665 3_665 no N2 O1 H4 98.7 3_665 3_665 3_665 no N2 O1 H5 165.6 3_665 3_665 3_665 no N2 O1 H5 51.3 3_665 3_665 3_665 no N2 O1 H8 49.1 3_665 3_665 3_665 no N2 O1 H10 112.3 3_665 3_665 3_665 no N2 O1 H11 121.9 3_665 3_665 3_665 no N2 O1 H11 99.2 3_665 3_665 3_665 no N2 O1 H16 97.5 3_665 3_665 3_665 no C1 O1 C1 72.5(12) . . . ? C1 O1 C2 22.1(13) . . . ? C1 O1 C2 132.7(12) . . . ? C1 O1 C3 4.0(11) . . . ? C1 O1 C3 120.2(12) . . . ? C1 O1 C3 114.8(11) . . . ? C1 O1 C4 17.5(13) . . . ? C1 O1 C4 104.7(11) . . . ? C1 O1 C5 143.3(13) . . . ? C1 O1 C7 65.6(12) . . . ? C1 O1 C8 80.3(13) . . . ? C1 O1 C11 119.4(14) . . . ? C1 O1 C12 75.0(12) . . . ? C1 O1 C12 143.5(14) . . . ? C1 O1 H1 114.8 . . . no C1 O1 H4 142.6 . . . no C1 O1 H5 82.4 . . . no C1 O1 H5 129.2 . . . no C1 O1 H8 78.1 . . . no C1 O1 H10 104.1 . . . no C1 O1 H11 69.2 . . . no C1 O1 H11 160.6 . . . no C1 O1 H16 76.2 . . . no C1 O1 C2 76.7(5) 3_665 3_665 3_665 ? C1 O1 C2 150.4(6) 3_665 3_665 3_665 ? C1 O1 C3 70.1(5) 3_665 3_665 3_665 ? C1 O1 C3 167.3(7) 3_665 3_665 3_665 ? C1 O1 C3 42.4(4) 3_665 3_665 3_665 ? C1 O1 C4 66.9(5) 3_665 3_665 3_665 ? C1 O1 C4 36.1(4) 3_665 3_665 3_665 ? C1 O1 C5 127.6(6) 3_665 3_665 3_665 ? C1 O1 C7 98.1(6) 3_665 3_665 3_665 ? C1 O1 C8 84.5(4) 3_665 3_665 3_665 ? C1 O1 C11 94.9(5) 3_665 3_665 3_665 ? C1 O1 C12 120.1(5) 3_665 3_665 3_665 ? C1 O1 C12 98.2(5) 3_665 3_665 3_665 ? C1 O1 H1 169.6 3_665 3_665 3_665 no C1 O1 H4 118.5 3_665 3_665 3_665 no C1 O1 H5 147.8 3_665 3_665 3_665 no C1 O1 H5 69.6 3_665 3_665 3_665 no C1 O1 H8 65.8 3_665 3_665 3_665 no C1 O1 H10 96.8 3_665 3_665 3_665 no C1 O1 H11 129.5 3_665 3_665 3_665 no C1 O1 H11 103.3 3_665 3_665 3_665 no C1 O1 H16 77.3 3_665 3_665 3_665 no C2 O1 C2 120.5(3) . . . ? C2 O1 C3 19.5(3) . . . ? C2 O1 C3 115.4(5) . . . ? C2 O1 C3 117.0(4) . . . ? C2 O1 C4 39.3(4) . . . ? C2 O1 C4 100.3(5) . . . ? C2 O1 C5 123.6(5) . . . ? C2 O1 C7 43.9(5) . . . ? C2 O1 C8 58.5(4) . . . ? C2 O1 C11 141.5(5) . . . ? C2 O1 C12 56.5(4) . . . ? C2 O1 C12 165.6(5) . . . ? C2 O1 H1 113.0 . . . no C2 O1 H4 121.1 . . . no C2 O1 H5 87.8 . . . no C2 O1 H5 114.6 . . . no C2 O1 H8 59.2 . . . no C2 O1 H10 125.8 . . . no C2 O1 H11 55.9 . . . no C2 O1 H11 177.1 . . . no C2 O1 H16 98.3 . . . no C2 O1 C3 133.8(4) 4_565 4_565 4_565 ? C2 O1 C3 19.8(4) 4_565 4_565 4_565 ? C2 O1 C3 111.3(4) 4_565 4_565 4_565 ? C2 O1 C4 142.0(5) 4_565 4_565 4_565 ? C2 O1 C4 114.4(5) 4_565 4_565 4_565 ? C2 O1 C5 23.3(3) 4_565 4_565 4_565 ? C2 O1 C7 83.5(5) 4_565 4_565 4_565 ? C2 O1 C8 85.5(4) 4_565 4_565 4_565 ? C2 O1 C11 84.9(4) 4_565 4_565 4_565 ? C2 O1 C12 65.1(4) 4_565 4_565 4_565 ? C2 O1 C12 70.2(4) 4_565 4_565 4_565 ? C2 O1 H1 27.9 4_565 4_565 4_565 no C2 O1 H4 32.9 4_565 4_565 4_565 no C2 O1 H5 61.4 4_565 4_565 4_565 no C2 O1 H5 81.0 4_565 4_565 4_565 no C2 O1 H8 100.7 4_565 4_565 4_565 no C2 O1 H10 91.4 4_565 4_565 4_565 no C2 O1 H11 65.0 4_565 4_565 4_565 no C2 O1 H11 58.3 4_565 4_565 4_565 no C2 O1 H16 119.3 4_565 4_565 4_565 no C3 O1 C3 122.6(4) . . . ? C3 O1 C3 112.5(3) . . . ? C3 O1 C4 19.9(3) . . . ? C3 O1 C4 101.5(5) . . . ? C3 O1 C5 142.2(4) . . . ? C3 O1 C7 63.4(5) . . . ? C3 O1 C8 77.0(4) . . . ? C3 O1 C11 122.4(5) . . . ? C3 O1 C12 74.0(4) . . . ? C3 O1 C12 146.2(5) . . . ? C3 O1 H1 117.6 . . . no C3 O1 H4 140.5 . . . no C3 O1 H5 85.8 . . . no C3 O1 H5 125.3 . . . no C3 O1 H8 74.2 . . . no C3 O1 H10 107.4 . . . no C3 O1 H11 69.5 . . . no C3 O1 H11 163.1 . . . no C3 O1 H16 79.0 . . . no C3 O1 C3 124.9(5) 4_565 4_565 4_565 ? C3 O1 C4 124.8(6) 4_565 4_565 4_565 ? C3 O1 C4 132.7(6) 4_565 4_565 4_565 ? C3 O1 C5 43.0(4) 4_565 4_565 4_565 ? C3 O1 C7 88.9(5) 4_565 4_565 4_565 ? C3 O1 C8 98.1(5) 4_565 4_565 4_565 ? C3 O1 C11 78.2(4) 4_565 4_565 4_565 ? C3 O1 C12 67.5(4) 4_565 4_565 4_565 ? C3 O1 C12 71.1(4) 4_565 4_565 4_565 ? C3 O1 H1 8.2 4_565 4_565 4_565 no C3 O1 H4 52.7 4_565 4_565 4_565 no C3 O1 H5 42.2 4_565 4_565 4_565 no C3 O1 H5 100.3 4_565 4_565 4_565 no C3 O1 H8 115.6 4_565 4_565 4_565 no C3 O1 H10 79.7 4_565 4_565 4_565 no C3 O1 H11 60.9 4_565 4_565 4_565 no C3 O1 H11 64.5 4_565 4_565 4_565 no C3 O1 H16 103.8 4_565 4_565 4_565 no C3 O1 C4 106.5(4) 3_665 3_665 3_665 ? C3 O1 C4 21.5(3) 3_665 3_665 3_665 ? C3 O1 C5 92.4(4) 3_665 3_665 3_665 ? C3 O1 C7 118.4(6) 3_665 3_665 3_665 ? C3 O1 C8 94.9(5) 3_665 3_665 3_665 ? C3 O1 C11 71.6(4) 3_665 3_665 3_665 ? C3 O1 C12 134.6(5) 3_665 3_665 3_665 ? C3 O1 C12 62.3(4) 3_665 3_665 3_665 ? C3 O1 H1 129.2 3_665 3_665 3_665 no C3 O1 H4 85.7 3_665 3_665 3_665 no C3 O1 H5 151.2 3_665 3_665 3_665 no C3 O1 H5 41.8 3_665 3_665 3_665 no C3 O1 H8 79.0 3_665 3_665 3_665 no C3 O1 H10 83.3 3_665 3_665 3_665 no C3 O1 H11 152.2 3_665 3_665 3_665 no C3 O1 H11 62.3 3_665 3_665 3_665 no C3 O1 H16 84.5 3_665 3_665 3_665 no C4 O1 C4 102.5(4) . . . ? C4 O1 C5 159.1(5) . . . ? C4 O1 C7 83.1(6) . . . ? C4 O1 C8 96.2(5) . . . ? C4 O1 C11 102.7(5) . . . ? C4 O1 C12 91.7(5) . . . ? C4 O1 C12 126.3(5) . . . ? C4 O1 H1 117.6 . . . no C4 O1 H4 160.0 . . . no C4 O1 H5 83.1 . . . no C4 O1 H5 133.6 . . . no C4 O1 H8 91.0 . . . no C4 O1 H10 88.1 . . . no C4 O1 H11 83.8 . . . no C4 O1 H11 143.3 . . . no C4 O1 H16 59.1 . . . no C4 O1 C5 91.8(5) 3_665 3_665 3_665 ? C4 O1 C7 97.1(6) 3_665 3_665 3_665 ? C4 O1 C8 74.2(5) 3_665 3_665 3_665 ? C4 O1 C11 93.1(5) 3_665 3_665 3_665 ? C4 O1 C12 115.0(5) 3_665 3_665 3_665 ? C4 O1 C12 82.0(5) 3_665 3_665 3_665 ? C4 O1 H1 139.6 3_665 3_665 3_665 no C4 O1 H4 83.0 3_665 3_665 3_665 no C4 O1 H5 171.9 3_665 3_665 3_665 no C4 O1 H5 33.9 3_665 3_665 3_665 no C4 O1 H8 57.7 3_665 3_665 3_665 no C4 O1 H10 104.4 3_665 3_665 3_665 no C4 O1 H11 132.1 3_665 3_665 3_665 no C4 O1 H11 78.4 3_665 3_665 3_665 no C4 O1 H16 100.4 3_665 3_665 3_665 no C5 O1 C7 80.1(5) 4_565 4_565 4_565 ? C5 O1 C8 72.9(4) 4_565 4_565 4_565 ? C5 O1 C11 91.5(4) 4_565 4_565 4_565 ? C5 O1 C12 68.3(4) 4_565 4_565 4_565 ? C5 O1 C12 70.2(4) 4_565 4_565 4_565 ? C5 O1 H1 51.1 4_565 4_565 4_565 no C5 O1 H4 9.7 4_565 4_565 4_565 no C5 O1 H5 84.5 4_565 4_565 4_565 no C5 O1 H5 58.0 4_565 4_565 4_565 no C5 O1 H8 83.8 4_565 4_565 4_565 no C5 O1 H10 103.2 4_565 4_565 4_565 no C5 O1 H11 75.4 4_565 4_565 4_565 no C5 O1 H11 54.2 4_565 4_565 4_565 no C5 O1 H16 133.5 4_565 4_565 4_565 no C7 O1 C8 24.4(4) . . . ? C7 O1 C11 167.0(5) . . . ? C7 O1 C12 22.0(4) . . . ? C7 O1 C12 150.3(6) . . . ? C7 O1 H1 91.8 . . . no C7 O1 H4 77.2 . . . no C7 O1 H5 89.4 . . . no C7 O1 H5 87.6 . . . no C7 O1 H8 39.5 . . . no C7 O1 H10 158.1 . . . no C7 O1 H11 35.8 . . . no C7 O1 H11 133.5 . . . no C7 O1 H16 140.9 . . . no C8 O1 C11 159.2(6) . . . ? C8 O1 C12 41.0(4) . . . ? C8 O1 C12 135.0(6) . . . ? C8 O1 H1 103.7 . . . no C8 O1 H4 66.5 . . . no C8 O1 H5 111.3 . . . no C8 O1 H5 63.8 . . . no C8 O1 H8 18.8 . . . no C8 O1 H10 175.6 . . . no C8 O1 H11 57.9 . . . no C8 O1 H11 118.6 . . . no C8 O1 H16 153.6 . . . no C11 O1 C12 145.0(5) 2_645 2_645 2_645 ? C11 O1 C12 24.5(3) 2_645 2_645 2_645 ? C11 O1 H1 75.2 2_645 2_645 2_645 no C11 O1 H4 96.1 2_645 2_645 2_645 no C11 O1 H5 79.8 2_645 2_645 2_645 no C11 O1 H5 96.5 2_645 2_645 2_645 no C11 O1 H8 150.1 2_645 2_645 2_645 no C11 O1 H10 16.7 2_645 2_645 2_645 no C11 O1 H11 132.4 2_645 2_645 2_645 no C11 O1 H11 41.3 2_645 2_645 2_645 no C11 O1 H16 43.5 2_645 2_645 2_645 no C12 O1 C12 135.3(3) . . . ? C12 O1 H1 69.9 . . . no C12 O1 H4 68.8 . . . no C12 O1 H5 70.3 . . . no C12 O1 H5 96.2 . . . no C12 O1 H8 59.0 . . . no C12 O1 H10 139.7 . . . no C12 O1 H11 17.6 . . . no C12 O1 H11 121.6 . . . no C12 O1 H16 138.7 . . . no C12 O1 H1 71.5 2_645 2_645 2_645 no C12 O1 H4 73.2 2_645 2_645 2_645 no C12 O1 H5 89.9 2_645 2_645 2_645 no C12 O1 H5 75.1 2_645 2_645 2_645 no C12 O1 H8 131.3 2_645 2_645 2_645 no C12 O1 H10 40.7 2_645 2_645 2_645 no C12 O1 H11 132.0 2_645 2_645 2_645 no C12 O1 H11 17.1 2_645 2_645 2_645 no C12 O1 H16 67.4 2_645 2_645 2_645 no H1 O1 H4 60.8 4_565 4_565 4_565 no H1 O1 H5 34.6 4_565 4_565 4_565 no H1 O1 H5 108.0 4_565 4_565 4_565 no H1 O1 H8 121.8 4_565 4_565 4_565 no H1 O1 H10 74.6 4_565 4_565 4_565 no H1 O1 H11 60.9 4_565 4_565 4_565 no H1 O1 H11 67.3 4_565 4_565 4_565 no H1 O1 H16 96.9 4_565 4_565 4_565 no H4 O1 H5 93.8 4_565 4_565 4_565 no H4 O1 H5 49.1 4_565 4_565 4_565 no H4 O1 H8 75.6 4_565 4_565 4_565 no H4 O1 H10 109.3 4_565 4_565 4_565 no H4 O1 H11 78.5 4_565 4_565 4_565 no H4 O1 H11 56.3 4_565 4_565 4_565 no H4 O1 H16 139.4 4_565 4_565 4_565 no H5 O1 H5 142.4 4_565 4_565 4_565 no H5 O1 H8 128.8 4_565 4_565 4_565 no H5 O1 H10 69.6 4_565 4_565 4_565 no H5 O1 H11 53.8 4_565 4_565 4_565 no H5 O1 H11 93.6 4_565 4_565 4_565 no H5 O1 H16 77.2 4_565 4_565 4_565 no H5 O1 H8 56.2 3_665 3_665 3_665 no H5 O1 H10 112.7 3_665 3_665 3_665 no H5 O1 H11 113.0 3_665 3_665 3_665 no H5 O1 H11 62.9 3_665 3_665 3_665 no H5 O1 H16 124.9 3_665 3_665 3_665 no H8 O1 H10 161.3 . . . no H8 O1 H11 75.0 . . . no H8 O1 H11 118.1 . . . no H8 O1 H16 139.9 . . . no H10 O1 H11 123.4 2_645 2_645 2_645 no H10 O1 H11 57.0 2_645 2_645 2_645 no H10 O1 H16 30.3 2_645 2_645 2_645 no H11 O1 H11 123.2 . . . no H11 O1 H16 122.1 . . . no H11 O1 H16 84.5 2_645 2_645 2_645 no N3 O2 N4 63.8(6) . . . ? N3 O2 N4 80.4(4) . . . ? N3 O2 C19 33.2(12) . . . ? N3 O2 C19 82.3(6) . . . ? N3 O2 C20 11.6(5) . . . ? N3 O2 C20 111.5(5) . . . ? N3 O2 C21 108.2(5) . . . ? N3 O2 C21 119.6(4) . . . ? N3 O2 C22 51.2(5) . . . ? N3 O2 C22 100.2(5) . . . ? N3 O2 C23 115.8(5) . . . ? N3 O2 C24 99.2(4) . . . ? N3 O2 C25 32.2(3) . . . ? N3 O2 C26 48.5(4) . . . ? N3 O2 C26 165.3(7) . . . ? N3 O2 C27 141.1(6) . . . ? N3 O2 C30 47.6(4) . . . ? N3 O2 H17 108.9 . . . no N3 O2 H18 130.9 . . . no N3 O2 H20 99.5 . . . no N3 O2 H22 92.7 . . . no N3 O2 H22 113.9 . . . no N3 O2 H23 88.0 . . . no N3 O2 H24 51.0 . . . no N3 O2 H24 175.2 . . . no N3 O2 H25 124.1 . . . no N3 O2 H27 49.8 . . . no N4 O2 N4 73.0(5) . . . ? N4 O2 C19 30.6(13) . . . ? N4 O2 C19 56.5(5) . . . ? N4 O2 C20 52.3(5) . . . ? N4 O2 C20 142.4(5) . . . ? N4 O2 C21 122.4(5) . . . ? N4 O2 C21 91.9(4) . . . ? N4 O2 C22 12.6(5) . . . ? N4 O2 C22 91.6(5) . . . ? N4 O2 C23 165.5(5) . . . ? N4 O2 C24 114.1(5) . . . ? N4 O2 C25 96.0(6) . . . ? N4 O2 C26 105.0(6) . . . ? N4 O2 C26 101.6(5) . . . ? N4 O2 C27 77.9(5) . . . ? N4 O2 C30 107.8(6) . . . ? N4 O2 H17 115.0 . . . no N4 O2 H18 163.7 . . . no N4 O2 H20 161.3 . . . no N4 O2 H22 81.0 . . . no N4 O2 H22 125.9 . . . no N4 O2 H23 119.3 . . . no N4 O2 H24 94.4 . . . no N4 O2 H24 117.2 . . . no N4 O2 H25 61.0 . . . no N4 O2 H27 100.3 . . . no N4 O2 C19 74.3(10) 3_676 3_676 3_676 ? N4 O2 C19 19.2(3) 3_676 3_676 3_676 ? N4 O2 C20 76.8(4) 3_676 3_676 3_676 ? N4 O2 C20 144.6(5) 3_676 3_676 3_676 ? N4 O2 C21 164.3(6) 3_676 3_676 3_676 ? N4 O2 C21 39.2(3) 3_676 3_676 3_676 ? N4 O2 C22 72.2(4) 3_676 3_676 3_676 ? N4 O2 C22 22.6(3) 3_676 3_676 3_676 ? N4 O2 C23 121.5(5) 3_676 3_676 3_676 ? N4 O2 C24 41.1(4) 3_676 3_676 3_676 ? N4 O2 C25 91.3(4) 3_676 3_676 3_676 ? N4 O2 C26 116.5(4) 3_676 3_676 3_676 ? N4 O2 C26 97.2(4) 3_676 3_676 3_676 ? N4 O2 C27 94.9(4) 3_676 3_676 3_676 ? N4 O2 C30 76.3(4) 3_676 3_676 3_676 ? N4 O2 H17 169.5 3_676 3_676 3_676 no N4 O2 H18 113.5 3_676 3_676 3_676 no N4 O2 H20 114.1 3_676 3_676 3_676 no N4 O2 H22 153.6 3_676 3_676 3_676 no N4 O2 H22 54.5 3_676 3_676 3_676 no N4 O2 H23 48.9 3_676 3_676 3_676 no N4 O2 H24 129.2 3_676 3_676 3_676 no N4 O2 H24 95.3 3_676 3_676 3_676 no N4 O2 H25 91.3 3_676 3_676 3_676 no N4 O2 H27 58.8 3_676 3_676 3_676 no C19 O2 C19 65.7(13) . . . ? C19 O2 C20 21.8(13) . . . ? C19 O2 C20 133.7(13) . . . ? C19 O2 C21 120.2(12) . . . ? C19 O2 C21 107.5(12) . . . ? C19 O2 C22 18.0(14) . . . ? C19 O2 C22 96.8(11) . . . ? C19 O2 C23 146.9(14) . . . ? C19 O2 C24 110.0(11) . . . ? C19 O2 C25 65.4(13) . . . ? C19 O2 C26 77.4(13) . . . ? C19 O2 C26 132.1(14) . . . ? C19 O2 C27 108.2(14) . . . ? C19 O2 C30 78.8(13) . . . ? C19 O2 H17 116.1 . . . no C19 O2 H18 163.2 . . . no C19 O2 H20 132.2 . . . no C19 O2 H22 86.0 . . . no C19 O2 H22 126.1 . . . no C19 O2 H23 106.2 . . . no C19 O2 H24 71.9 . . . no C19 O2 H24 147.5 . . . no C19 O2 H25 91.2 . . . no C19 O2 H27 75.2 . . . no C19 O2 C20 75.2(5) 3_676 3_676 3_676 ? C19 O2 C20 159.7(6) 3_676 3_676 3_676 ? C19 O2 C21 168.1(5) 3_676 3_676 3_676 ? C19 O2 C21 42.0(4) 3_676 3_676 3_676 ? C19 O2 C22 58.6(5) 3_676 3_676 3_676 ? C19 O2 C22 35.1(4) 3_676 3_676 3_676 ? C19 O2 C23 137.7(5) 3_676 3_676 3_676 ? C19 O2 C24 58.4(4) 3_676 3_676 3_676 ? C19 O2 C25 101.9(6) 3_676 3_676 3_676 ? C19 O2 C26 126.9(6) 3_676 3_676 3_676 ? C19 O2 C26 90.8(5) 3_676 3_676 3_676 ? C19 O2 C27 81.8(4) 3_676 3_676 3_676 ? C19 O2 C30 91.7(5) 3_676 3_676 3_676 ? C19 O2 H17 162.1 3_676 3_676 3_676 no C19 O2 H18 126.3 3_676 3_676 3_676 no C19 O2 H20 132.9 3_676 3_676 3_676 no C19 O2 H22 135.0 3_676 3_676 3_676 no C19 O2 H22 69.4 3_676 3_676 3_676 no C19 O2 H23 67.8 3_676 3_676 3_676 no C19 O2 H24 133.2 3_676 3_676 3_676 no C19 O2 H24 94.4 3_676 3_676 3_676 no C19 O2 H25 74.9 3_676 3_676 3_676 no C19 O2 H27 74.6 3_676 3_676 3_676 no C20 O2 C20 120.7(3) . . . ? C20 O2 C21 114.2(5) . . . ? C20 O2 C21 115.4(4) . . . ? C20 O2 C22 39.7(4) . . . ? C20 O2 C22 98.3(5) . . . ? C20 O2 C23 127.2(5) . . . ? C20 O2 C24 102.4(4) . . . ? C20 O2 C25 43.8(5) . . . ? C20 O2 C26 58.7(4) . . . ? C20 O2 C26 153.9(5) . . . ? C20 O2 C27 129.9(5) . . . ? C20 O2 C30 57.9(4) . . . ? C20 O2 H17 113.3 . . . no C20 O2 H18 142.4 . . . no C20 O2 H20 111.0 . . . no C20 O2 H22 91.4 . . . no C20 O2 H22 118.3 . . . no C20 O2 H23 93.6 . . . no C20 O2 H24 58.3 . . . no C20 O2 H24 168.1 . . . no C20 O2 H25 112.9 . . . no C20 O2 H27 57.4 . . . no C20 O2 C21 20.2(3) 4_575 4_575 4_575 ? C20 O2 C21 118.6(4) 4_575 4_575 4_575 ? C20 O2 C22 141.6(5) 4_575 4_575 4_575 ? C20 O2 C22 125.0(5) 4_575 4_575 4_575 ? C20 O2 C23 23.1(3) 4_575 4_575 4_575 ? C20 O2 C24 103.5(5) 4_575 4_575 4_575 ? C20 O2 C25 85.1(4) 4_575 4_575 4_575 ? C20 O2 C26 63.3(3) 4_575 4_575 4_575 ? C20 O2 C26 78.8(4) 4_575 4_575 4_575 ? C20 O2 C27 94.6(4) 4_575 4_575 4_575 ? C20 O2 C30 87.7(4) 4_575 4_575 4_575 ? C20 O2 H17 28.0 4_575 4_575 4_575 no C20 O2 H18 33.5 4_575 4_575 4_575 no C20 O2 H20 33.2 4_575 4_575 4_575 no C20 O2 H22 61.5 4_575 4_575 4_575 no C20 O2 H22 91.0 4_575 4_575 4_575 no C20 O2 H23 97.0 4_575 4_575 4_575 no C20 O2 H24 62.9 4_575 4_575 4_575 no C20 O2 H24 70.8 4_575 4_575 4_575 no C20 O2 H25 106.6 4_575 4_575 4_575 no C20 O2 H27 102.5 4_575 4_575 4_575 no C21 O2 C21 130.3(5) 4_575 4_575 4_575 ? C21 O2 C22 123.4(5) 4_575 4_575 4_575 ? C21 O2 C22 142.7(6) 4_575 4_575 4_575 ? C21 O2 C23 43.2(4) 4_575 4_575 4_575 ? C21 O2 C24 123.4(5) 4_575 4_575 4_575 ? C21 O2 C25 89.9(5) 4_575 4_575 4_575 ? C21 O2 C26 64.9(4) 4_575 4_575 4_575 ? C21 O2 C26 77.7(4) 4_575 4_575 4_575 ? C21 O2 C27 86.4(4) 4_575 4_575 4_575 ? C21 O2 C30 99.6(4) 4_575 4_575 4_575 ? C21 O2 H17 8.1 4_575 4_575 4_575 no C21 O2 H18 50.9 4_575 4_575 4_575 no C21 O2 H20 52.4 4_575 4_575 4_575 no C21 O2 H22 41.4 4_575 4_575 4_575 no C21 O2 H22 109.8 4_575 4_575 4_575 no C21 O2 H23 117.1 4_575 4_575 4_575 no C21 O2 H24 57.2 4_575 4_575 4_575 no C21 O2 H24 75.5 4_575 4_575 4_575 no C21 O2 H25 94.2 4_575 4_575 4_575 no C21 O2 H27 116.3 4_575 4_575 4_575 no C21 O2 C22 98.0(4) 3_676 3_676 3_676 ? C21 O2 C22 21.7(3) 3_676 3_676 3_676 ? C21 O2 C23 100.0(4) 3_676 3_676 3_676 ? C21 O2 C24 39.5(4) 3_676 3_676 3_676 ? C21 O2 C25 123.9(5) 3_676 3_676 3_676 ? C21 O2 C26 144.6(4) 3_676 3_676 3_676 ? C21 O2 C26 59.5(4) 3_676 3_676 3_676 ? C21 O2 C27 65.2(4) 3_676 3_676 3_676 ? C21 O2 C30 102.5(4) 3_676 3_676 3_676 ? C21 O2 H17 131.2 3_676 3_676 3_676 no C21 O2 H18 85.8 3_676 3_676 3_676 no C21 O2 H20 104.3 3_676 3_676 3_676 no C21 O2 H22 139.8 3_676 3_676 3_676 no C21 O2 H22 39.0 3_676 3_676 3_676 no C21 O2 H23 55.7 3_676 3_676 3_676 no C21 O2 H24 163.4 3_676 3_676 3_676 no C21 O2 H24 56.1 3_676 3_676 3_676 no C21 O2 H25 70.6 3_676 3_676 3_676 no C21 O2 H27 87.2 3_676 3_676 3_676 no C22 O2 C22 93.2(4) . . . ? C22 O2 C23 161.8(5) . . . ? C22 O2 C24 112.5(4) . . . ? C22 O2 C25 83.4(5) . . . ? C22 O2 C26 94.0(5) . . . ? C22 O2 C26 114.2(5) . . . ? C22 O2 C27 90.5(4) . . . ? C22 O2 C30 95.7(5) . . . ? C22 O2 H17 117.2 . . . no C22 O2 H18 173.7 . . . no C22 O2 H20 149.8 . . . no C22 O2 H22 83.5 . . . no C22 O2 H22 126.7 . . . no C22 O2 H23 114.0 . . . no C22 O2 H24 85.5 . . . no C22 O2 H24 129.6 . . . no C22 O2 H25 73.5 . . . no C22 O2 H27 89.6 . . . no C22 O2 C23 102.5(5) 3_676 3_676 3_676 ? C22 O2 C24 25.4(3) 3_676 3_676 3_676 ? C22 O2 C25 102.3(5) 3_676 3_676 3_676 ? C22 O2 C26 124.8(5) 3_676 3_676 3_676 ? C22 O2 C26 80.8(5) 3_676 3_676 3_676 ? C22 O2 C27 86.3(5) 3_676 3_676 3_676 ? C22 O2 C30 81.9(4) 3_676 3_676 3_676 ? C22 O2 H17 146.9 3_676 3_676 3_676 no C22 O2 H18 92.1 3_676 3_676 3_676 no C22 O2 H20 100.0 3_676 3_676 3_676 no C22 O2 H22 160.6 3_676 3_676 3_676 no C22 O2 H22 34.3 3_676 3_676 3_676 no C22 O2 H23 39.3 3_676 3_676 3_676 no C22 O2 H24 142.4 3_676 3_676 3_676 no C22 O2 H24 75.2 3_676 3_676 3_676 no C22 O2 H25 89.3 3_676 3_676 3_676 no C22 O2 H27 65.9 3_676 3_676 3_676 no C23 O2 C24 80.4(4) 4_575 4_575 4_575 ? C23 O2 C25 84.2(4) 4_575 4_575 4_575 ? C23 O2 C26 69.5(4) 4_575 4_575 4_575 ? C23 O2 C26 77.8(4) 4_575 4_575 4_575 ? C23 O2 C27 99.6(4) 4_575 4_575 4_575 ? C23 O2 C30 77.7(4) 4_575 4_575 4_575 ? C23 O2 H17 50.6 4_575 4_575 4_575 no C23 O2 H18 16.3 4_575 4_575 4_575 no C23 O2 H20 17.8 4_575 4_575 4_575 no C23 O2 H22 84.5 4_575 4_575 4_575 no C23 O2 H22 68.3 4_575 4_575 4_575 no C23 O2 H23 74.7 4_575 4_575 4_575 no C23 O2 H24 76.4 4_575 4_575 4_575 no C23 O2 H24 64.5 4_575 4_575 4_575 no C23 O2 H25 115.3 4_575 4_575 4_575 no C23 O2 H27 88.5 4_575 4_575 4_575 no C24 O2 C25 88.0(5) 3_676 3_676 3_676 ? C24 O2 C26 105.2(4) 3_676 3_676 3_676 ? C24 O2 C26 88.0(4) 3_676 3_676 3_676 ? C24 O2 C27 102.1(4) 3_676 3_676 3_676 ? C24 O2 C30 65.0(4) 3_676 3_676 3_676 ? C24 O2 H17 130.2 3_676 3_676 3_676 no C24 O2 H18 73.6 3_676 3_676 3_676 no C24 O2 H20 75.1 3_676 3_676 3_676 no C24 O2 H22 163.8 3_676 3_676 3_676 no C24 O2 H22 16.3 3_676 3_676 3_676 no C24 O2 H23 16.3 3_676 3_676 3_676 no C24 O2 H24 124.2 3_676 3_676 3_676 no C24 O2 H24 76.1 3_676 3_676 3_676 no C24 O2 H25 110.0 3_676 3_676 3_676 no C24 O2 H27 52.8 3_676 3_676 3_676 no C25 O2 C26 25.4(3) . . . ? C25 O2 C26 162.1(6) . . . ? C25 O2 C27 169.6(6) . . . ? C25 O2 C30 23.3(4) . . . ? C25 O2 H17 94.4 . . . no C25 O2 H18 98.7 . . . no C25 O2 H20 67.3 . . . no C25 O2 H22 96.3 . . . no C25 O2 H22 97.4 . . . no C25 O2 H23 72.4 . . . no C25 O2 H24 40.1 . . . no C25 O2 H24 146.7 . . . no C25 O2 H25 154.8 . . . no C25 O2 H27 36.7 . . . no C26 O2 C26 141.7(3) . . . ? C26 O2 C27 148.1(4) . . . ? C26 O2 C30 42.9(4) . . . ? C26 O2 H17 69.0 . . . no C26 O2 H18 85.8 . . . no C26 O2 H20 56.3 . . . no C26 O2 H22 74.6 . . . no C26 O2 H22 109.1 . . . no C26 O2 H23 88.9 . . . no C26 O2 H24 19.1 . . . no C26 O2 H24 133.2 . . . no C26 O2 H25 144.8 . . . no C26 O2 H27 59.5 . . . no C26 O2 C27 24.2(3) 2_646 2_646 2_646 ? C26 O2 C30 146.1(6) 2_646 2_646 2_646 ? C26 O2 H17 75.0 2_646 2_646 2_646 no C26 O2 H18 63.4 2_646 2_646 2_646 no C26 O2 H20 94.7 2_646 2_646 2_646 no C26 O2 H22 83.1 2_646 2_646 2_646 no C26 O2 H22 75.1 2_646 2_646 2_646 no C26 O2 H23 101.5 2_646 2_646 2_646 no C26 O2 H24 133.6 2_646 2_646 2_646 no C26 O2 H24 16.8 2_646 2_646 2_646 no C26 O2 H25 41.2 2_646 2_646 2_646 no C26 O2 H27 140.3 2_646 2_646 2_646 no C27 O2 C30 167.0(5) 2_646 2_646 2_646 ? C27 O2 H17 80.9 2_646 2_646 2_646 no C27 O2 H18 86.5 2_646 2_646 2_646 no C27 O2 H20 117.2 2_646 2_646 2_646 no C27 O2 H22 74.6 2_646 2_646 2_646 no C27 O2 H22 93.0 2_646 2_646 2_646 no C27 O2 H23 117.8 2_646 2_646 2_646 no C27 O2 H24 131.2 2_646 2_646 2_646 no C27 O2 H24 40.9 2_646 2_646 2_646 no C27 O2 H25 17.0 2_646 2_646 2_646 no C27 O2 H27 152.2 2_646 2_646 2_646 no C30 O2 H17 106.2 . . . no C30 O2 H18 88.4 . . . no C30 O2 H20 60.0 . . . no C30 O2 H22 117.4 . . . no C30 O2 H22 74.2 . . . no C30 O2 H23 49.2 . . . no C30 O2 H24 60.9 . . . no C30 O2 H24 129.4 . . . no C30 O2 H25 165.7 . . . no C30 O2 H27 17.4 . . . no H17 O2 H18 56.9 4_575 4_575 4_575 no H17 O2 H20 60.5 4_575 4_575 4_575 no H17 O2 H22 34.1 4_575 4_575 4_575 no H17 O2 H22 115.8 4_575 4_575 4_575 no H17 O2 H23 125.0 4_575 4_575 4_575 no H17 O2 H24 58.8 4_575 4_575 4_575 no H17 O2 H24 75.2 4_575 4_575 4_575 no H17 O2 H25 87.3 4_575 4_575 4_575 no H17 O2 H27 123.3 4_575 4_575 4_575 no H18 O2 H20 31.4 4_575 4_575 4_575 no H18 O2 H22 90.3 4_575 4_575 4_575 no H18 O2 H22 59.0 4_575 4_575 4_575 no H18 O2 H23 72.3 4_575 4_575 4_575 no H18 O2 H24 92.3 4_575 4_575 4_575 no H18 O2 H24 48.9 4_575 4_575 4_575 no H18 O2 H25 103.2 4_575 4_575 4_575 no H18 O2 H27 95.7 4_575 4_575 4_575 no H20 O2 H22 92.1 4_575 4_575 4_575 no H20 O2 H22 67.1 4_575 4_575 4_575 no H20 O2 H23 65.3 4_575 4_575 4_575 no H20 O2 H24 67.5 4_575 4_575 4_575 no H20 O2 H24 80.2 4_575 4_575 4_575 no H20 O2 H25 133.1 4_575 4_575 4_575 no H20 O2 H27 71.7 4_575 4_575 4_575 no H22 O2 H22 147.9 4_575 4_575 4_575 no H22 O2 H23 157.1 4_575 4_575 4_575 no H22 O2 H24 56.7 4_575 4_575 4_575 no H22 O2 H24 92.1 4_575 4_575 4_575 no H22 O2 H25 71.4 4_575 4_575 4_575 no H22 O2 H27 133.0 4_575 4_575 4_575 no H22 O2 H23 26.4 3_676 3_676 3_676 no H22 O2 H24 127.4 3_676 3_676 3_676 no H22 O2 H24 61.5 3_676 3_676 3_676 no H22 O2 H25 104.5 3_676 3_676 3_676 no H22 O2 H27 65.3 3_676 3_676 3_676 no H23 O2 H24 108.0 3_676 3_676 3_676 no H23 O2 H24 87.6 3_676 3_676 3_676 no H23 O2 H25 126.3 3_676 3_676 3_676 no H23 O2 H27 38.9 3_676 3_676 3_676 no H24 O2 H24 132.4 . . . no H24 O2 H25 125.7 . . . no H24 O2 H27 76.5 . . . no H24 O2 H25 57.8 2_646 2_646 2_646 no H24 O2 H27 126.0 2_646 2_646 2_646 no H25 O2 H27 149.4 2_646 2_646 2_646 no O1 N1 N2 58.1(7) . . . ? O1 N1 N2 63.3(4) . . . ? O1 N1 C1 29.4(9) . . . ? O1 N1 C2 147.6(13) . . . ? O1 N1 C3 118.3(9) . . . ? O1 N1 C4 87.2(8) . . . ? O1 N1 C5 174.8(6) . . . ? O1 N1 C7 89.5(9) . . . ? O1 N1 C8 87.5(6) . . . ? O1 N1 C9 88.8(5) . . . ? O1 N1 C11 93.1(4) . . . ? O1 N1 C12 93.3(5) . . . ? O1 N1 H1 126.2 . . . no O1 N1 H1 35.6 . . . no O1 N1 H2 151.4 . . . no O1 N1 H3 161.4 . . . no O1 N1 H3 111.0 . . . no O1 N1 H4 166.8 . . . no O1 N1 H8 85.1 . . . no O1 N1 H11 93.9 . . . no N2 N1 N2 76.6(5) . . . ? N2 N1 C1 28.7(9) . . . ? N2 N1 C2 90.0(11) . . . ? N2 N1 C3 60.5(6) . . . ? N2 N1 C4 29.2(4) . . . ? N2 N1 C5 122.9(7) . . . ? N2 N1 C7 147.0(12) . . . ? N2 N1 C8 139.8(9) . . . ? N2 N1 C9 145.0(7) . . . ? N2 N1 C11 142.8(6) . . . ? N2 N1 C12 136.1(7) . . . ? N2 N1 H1 68.5 . . . no N2 N1 H1 74.3 . . . no N2 N1 H2 137.0 . . . no N2 N1 H3 130.9 . . . no N2 N1 H3 84.8 . . . no N2 N1 H4 111.6 . . . no N2 N1 H8 122.8 . . . no N2 N1 H11 117.5 . . . no N2 N1 C1 67.0(9) 3_665 3_665 3_665 ? N2 N1 C2 106.6(9) 3_665 3_665 3_665 ? N2 N1 C3 97.7(6) 3_665 3_665 3_665 ? N2 N1 C4 86.2(6) 3_665 3_665 3_665 ? N2 N1 C5 111.6(5) 3_665 3_665 3_665 ? N2 N1 C7 95.6(10) 3_665 3_665 3_665 ? N2 N1 C8 68.8(5) 3_665 3_665 3_665 ? N2 N1 C9 78.2(4) 3_665 3_665 3_665 ? N2 N1 C11 113.3(4) 3_665 3_665 3_665 ? N2 N1 C12 122.5(6) 3_665 3_665 3_665 ? N2 N1 H1 99.4 3_665 3_665 3_665 no N2 N1 H1 97.2 3_665 3_665 3_665 no N2 N1 H2 94.1 3_665 3_665 3_665 no N2 N1 H3 131.2 3_665 3_665 3_665 no N2 N1 H3 160.7 3_665 3_665 3_665 no N2 N1 H4 107.8 3_665 3_665 3_665 no N2 N1 H8 46.8 3_665 3_665 3_665 no N2 N1 H11 142.8 3_665 3_665 3_665 no C1 N1 C2 118.5(16) . . . ? C1 N1 C3 89.0(11) . . . ? C1 N1 C4 57.8(10) . . . ? C1 N1 C5 151.3(13) . . . ? C1 N1 C7 118.8(15) . . . ? C1 N1 C8 114.6(12) . . . ? C1 N1 C9 117.5(11) . . . ? C1 N1 C11 119.6(10) . . . ? C1 N1 C12 116.9(11) . . . ? C1 N1 H1 97.0 . . . no C1 N1 H1 52.1 . . . no C1 N1 H2 156.7 . . . no C1 N1 H3 156.3 . . . no C1 N1 H3 98.8 . . . no C1 N1 H4 139.7 . . . no C1 N1 H8 105.2 . . . no C1 N1 H11 108.0 . . . no C2 N1 C3 29.6(10) . . . ? C2 N1 C4 60.8(10) . . . ? C2 N1 C5 32.9(10) . . . ? C2 N1 C7 122.7(16) . . . ? C2 N1 C8 118.8(12) . . . ? C2 N1 C9 120.5(12) . . . ? C2 N1 C11 118.4(12) . . . ? C2 N1 C12 116.2(12) . . . ? C2 N1 H1 21.5 . . . no C2 N1 H1 147.7 . . . no C2 N1 H2 52.0 . . . no C2 N1 H3 47.4 . . . no C2 N1 H3 67.7 . . . no C2 N1 H4 21.7 . . . no C2 N1 H8 110.8 . . . no C2 N1 H11 107.5 . . . no C3 N1 C4 31.2(4) . . . ? C3 N1 C5 62.5(8) . . . ? C3 N1 C7 152.2(13) . . . ? C3 N1 C8 142.6(8) . . . ? C3 N1 C9 147.7(8) . . . ? C3 N1 C11 143.8(8) . . . ? C3 N1 C12 137.8(9) . . . ? C3 N1 H1 8.1 . . . no C3 N1 H1 127.0 . . . no C3 N1 H2 80.0 . . . no C3 N1 H3 74.6 . . . no C3 N1 H3 68.1 . . . no C3 N1 H4 51.2 . . . no C3 N1 H8 125.1 . . . no C3 N1 H11 119.4 . . . no C4 N1 C5 93.7(8) . . . ? C4 N1 C7 175.1(12) . . . ? C4 N1 C8 154.2(7) . . . ? C4 N1 C9 164.1(6) . . . ? C4 N1 C11 158.3(6) . . . ? C4 N1 C12 147.9(7) . . . ? C4 N1 H1 39.3 . . . no C4 N1 H1 100.3 . . . no C4 N1 H2 109.7 . . . no C4 N1 H3 104.0 . . . no C4 N1 H3 74.9 . . . no C4 N1 H4 82.4 . . . no C4 N1 H8 130.0 . . . no C4 N1 H11 123.6 . . . no C5 N1 C7 89.9(10) . . . ? C5 N1 C8 89.5(7) . . . ? C5 N1 C9 89.0(6) . . . ? C5 N1 C11 88.0(5) . . . ? C5 N1 C12 88.7(6) . . . ? C5 N1 H1 54.4 . . . no C5 N1 H1 148.7 . . . no C5 N1 H2 24.1 . . . no C5 N1 H3 22.4 . . . no C5 N1 H3 74.2 . . . no C5 N1 H4 11.7 . . . no C5 N1 H8 90.4 . . . no C5 N1 H11 89.9 . . . no C7 N1 C8 29.1(9) . . . ? C7 N1 C9 19.1(10) . . . ? C7 N1 C11 18.4(10) . . . ? C7 N1 C12 28.7(9) . . . ? C7 N1 H1 144.3 . . . no C7 N1 H1 75.0 . . . no C7 N1 H2 74.8 . . . no C7 N1 H3 78.2 . . . no C7 N1 H3 102.9 . . . no C7 N1 H4 101.4 . . . no C7 N1 H8 53.2 . . . no C7 N1 H11 52.9 . . . no C8 N1 C9 10.0(5) . . . ? C8 N1 C11 47.4(5) . . . ? C8 N1 C12 57.7(6) . . . ? C8 N1 H1 136.0 . . . no C8 N1 H1 89.9 . . . no C8 N1 H2 67.1 . . . no C8 N1 H3 88.3 . . . no C8 N1 H3 130.4 . . . no C8 N1 H4 98.4 . . . no C8 N1 H8 24.2 . . . no C8 N1 H11 82.0 . . . no C9 N1 C11 37.4(4) . . . ? C9 N1 C12 47.7(5) . . . ? C9 N1 H1 140.1 . . . no C9 N1 H1 85.1 . . . no C9 N1 H2 68.6 . . . no C9 N1 H3 84.1 . . . no C9 N1 H3 120.8 . . . no C9 N1 H4 99.1 . . . no C9 N1 H8 34.2 . . . no C9 N1 H11 72.0 . . . no C11 N1 C12 10.4(5) . . . ? C11 N1 H1 137.8 . . . no C11 N1 H1 69.0 . . . no C11 N1 H2 79.6 . . . no C11 N1 H3 71.0 . . . no C11 N1 H3 84.8 . . . no C11 N1 H4 99.6 . . . no C11 N1 H8 71.6 . . . no C11 N1 H11 34.7 . . . no C12 N1 H1 133.3 . . . no C12 N1 H1 64.9 . . . no C12 N1 H2 84.3 . . . no C12 N1 H3 69.3 . . . no C12 N1 H3 75.0 . . . no C12 N1 H4 99.9 . . . no C12 N1 H8 81.9 . . . no C12 N1 H11 24.3 . . . no H1 N1 H1 134.1 . . . no H1 N1 H2 71.9 . . . no H1 N1 H3 67.5 . . . no H1 N1 H3 68.4 . . . no H1 N1 H4 43.1 . . . no H1 N1 H8 121.0 . . . no H1 N1 H11 117.7 . . . no H1 N1 H2 148.6 4_565 4_565 4_565 no H1 N1 H3 126.3 4_565 4_565 4_565 no H1 N1 H3 82.6 4_565 4_565 4_565 no H1 N1 H4 155.0 4_565 4_565 4_565 no H1 N1 H8 101.4 4_565 4_565 4_565 no H1 N1 H11 59.0 4_565 4_565 4_565 no H2 N1 H3 37.3 . . . no H2 N1 H3 96.0 . . . no H2 N1 H4 31.3 . . . no H2 N1 H8 66.3 . . . no H2 N1 H11 95.3 . . . no H3 N1 H3 59.4 . . . no H3 N1 H4 31.5 . . . no H3 N1 H8 98.2 . . . no H3 N1 H11 67.6 . . . no H3 N1 H4 74.1 3_675 3_675 3_675 no H3 N1 H8 152.3 3_675 3_675 3_675 no H3 N1 H11 52.3 3_675 3_675 3_675 no H4 N1 H8 95.4 . . . no H4 N1 H11 98.6 . . . no H8 N1 H11 106.1 . . . no O1 N2 O1 93.1(5) . . . ? O1 N2 N1 57.6(6) . . . ? O1 N2 N1 78.4(4) . . . ? O1 N2 C1 27.6(11) . . . ? O1 N2 C1 75.8(6) . . . ? O1 N2 C2 87.1(6) . . . ? O1 N2 C3 115.8(7) . . . ? O1 N2 C4 143.1(13) . . . ? O1 N2 C6 175.7(7) . . . ? O1 N2 C7 45.9(4) . . . ? O1 N2 C8 109.5(6) . . . ? O1 N2 C11 55.2(4) . . . ? O1 N2 C18 100.1(5) . . . ? O1 N2 C35 108.2(5) . . . ? O1 N2 H1 126.2 . . . no O1 N2 H1 32.2 . . . no O1 N2 H5 159.7 . . . no O1 N2 H6 164.6 . . . no O1 N2 H7 155.5 . . . no O1 N2 H8 109.3 . . . no O1 N2 H10 56.2 . . . no O1 N2 H16 97.0 . . . no O1 N2 H30 119.4 . . . no O1 N2 H31 108.1 . . . no O1 N2 N1 85.3(4) 3_665 3_665 3_665 ? O1 N2 N1 34.9(3) 3_665 3_665 3_665 ? O1 N2 C1 89.1(10) 3_665 3_665 3_665 ? O1 N2 C1 20.0(3) 3_665 3_665 3_665 ? O1 N2 C2 79.5(4) 3_665 3_665 3_665 ? O1 N2 C3 76.4(5) 3_665 3_665 3_665 ? O1 N2 C4 76.4(9) 3_665 3_665 3_665 ? O1 N2 C6 82.8(5) 3_665 3_665 3_665 ? O1 N2 C7 89.4(4) 3_665 3_665 3_665 ? O1 N2 C8 52.3(3) 3_665 3_665 3_665 ? O1 N2 C11 104.7(4) 3_665 3_665 3_665 ? O1 N2 C18 106.6(4) 3_665 3_665 3_665 ? O1 N2 C35 154.8(5) 3_665 3_665 3_665 ? O1 N2 H1 75.1 3_665 3_665 3_665 no O1 N2 H1 125.3 3_665 3_665 3_665 no O1 N2 H5 67.5 3_665 3_665 3_665 no O1 N2 H6 100.5 3_665 3_665 3_665 no O1 N2 H7 84.3 3_665 3_665 3_665 no O1 N2 H8 61.5 3_665 3_665 3_665 no O1 N2 H10 111.6 3_665 3_665 3_665 no O1 N2 H16 103.0 3_665 3_665 3_665 no O1 N2 H30 143.4 3_665 3_665 3_665 no O1 N2 H31 150.2 3_665 3_665 3_665 no N1 N2 N1 103.4(5) . . . ? N1 N2 C1 30.0(10) . . . ? N1 N2 C1 84.7(7) . . . ? N1 N2 C2 29.7(3) . . . ? N1 N2 C3 58.6(5) . . . ? N1 N2 C4 86.1(11) . . . ? N1 N2 C6 120.6(8) . . . ? N1 N2 C7 12.0(4) . . . ? N1 N2 C8 136.5(6) . . . ? N1 N2 C11 112.3(6) . . . ? N1 N2 C18 155.8(7) . . . ? N1 N2 C35 117.3(5) . . . ? N1 N2 H1 69.2 . . . no N1 N2 H1 67.1 . . . no N1 N2 H5 112.8 . . . no N1 N2 H6 115.9 . . . no N1 N2 H7 145.8 . . . no N1 N2 H8 144.6 . . . no N1 N2 H10 111.9 . . . no N1 N2 H16 154.0 . . . no N1 N2 H30 97.6 . . . no N1 N2 H31 123.6 . . . no N1 N2 C1 90.3(11) 3_665 3_665 3_665 ? N1 N2 C1 21.1(3) 3_665 3_665 3_665 ? N1 N2 C2 110.0(5) 3_665 3_665 3_665 ? N1 N2 C3 111.3(5) 3_665 3_665 3_665 ? N1 N2 C4 107.1(10) 3_665 3_665 3_665 ? N1 N2 C6 98.7(6) 3_665 3_665 3_665 ? N1 N2 C7 100.9(5) 3_665 3_665 3_665 ? N1 N2 C8 36.4(4) 3_665 3_665 3_665 ? N1 N2 C11 70.3(3) 3_665 3_665 3_665 ? N1 N2 C18 78.3(4) 3_665 3_665 3_665 ? N1 N2 C35 135.7(5) 3_665 3_665 3_665 ? N1 N2 H1 109.3 3_665 3_665 3_665 no N1 N2 H1 105.6 3_665 3_665 3_665 no N1 N2 H5 87.7 3_665 3_665 3_665 no N1 N2 H6 117.0 3_665 3_665 3_665 no N1 N2 H7 85.9 3_665 3_665 3_665 no N1 N2 H8 42.1 3_665 3_665 3_665 no N1 N2 H10 77.2 3_665 3_665 3_665 no N1 N2 H16 73.8 3_665 3_665 3_665 no N1 N2 H30 158.0 3_665 3_665 3_665 no N1 N2 H31 128.4 3_665 3_665 3_665 no C1 N2 C1 78.5(11) . . . ? C1 N2 C2 59.6(11) . . . ? C1 N2 C3 88.4(12) . . . ? C1 N2 C4 115.8(17) . . . ? C1 N2 C6 150.3(15) . . . ? C1 N2 C7 18.5(11) . . . ? C1 N2 C8 126.4(12) . . . ? C1 N2 C11 82.6(12) . . . ? C1 N2 C18 127.2(13) . . . ? C1 N2 C35 116.1(11) . . . ? C1 N2 H1 98.9 . . . no C1 N2 H1 44.6 . . . no C1 N2 H5 140.0 . . . no C1 N2 H6 144.2 . . . no C1 N2 H7 172.8 . . . no C1 N2 H8 129.9 . . . no C1 N2 H10 82.9 . . . no C1 N2 H16 124.5 . . . no C1 N2 H30 111.5 . . . no C1 N2 H31 119.4 . . . no C1 N2 C2 88.9(6) 3_665 3_665 3_665 ? C1 N2 C3 93.2(6) 3_665 3_665 3_665 ? C1 N2 C4 96.3(9) 3_665 3_665 3_665 ? C1 N2 C6 100.3(7) 3_665 3_665 3_665 ? C1 N2 C7 84.7(6) 3_665 3_665 3_665 ? C1 N2 C8 52.3(5) 3_665 3_665 3_665 ? C1 N2 C11 86.4(4) 3_665 3_665 3_665 ? C1 N2 C18 99.4(5) 3_665 3_665 3_665 ? C1 N2 C35 156.7(6) 3_665 3_665 3_665 ? C1 N2 H1 93.6 3_665 3_665 3_665 no C1 N2 H1 107.5 3_665 3_665 3_665 no C1 N2 H5 85.9 3_665 3_665 3_665 no C1 N2 H6 118.7 3_665 3_665 3_665 no C1 N2 H7 95.9 3_665 3_665 3_665 no C1 N2 H8 60.0 3_665 3_665 3_665 no C1 N2 H10 93.2 3_665 3_665 3_665 no C1 N2 H16 94.9 3_665 3_665 3_665 no C1 N2 H30 163.3 3_665 3_665 3_665 no C1 N2 H31 149.5 3_665 3_665 3_665 no C2 N2 C3 28.9(4) . . . ? C2 N2 C4 56.4(11) . . . ? C2 N2 C6 90.9(8) . . . ? C2 N2 C7 41.6(5) . . . ? C2 N2 C8 128.6(6) . . . ? C2 N2 C11 142.0(7) . . . ? C2 N2 C18 170.1(7) . . . ? C2 N2 C35 114.0(6) . . . ? C2 N2 H1 39.5 . . . no C2 N2 H1 93.6 . . . no C2 N2 H5 83.8 . . . no C2 N2 H6 88.2 . . . no C2 N2 H7 116.2 . . . no C2 N2 H8 137.8 . . . no C2 N2 H10 141.2 . . . no C2 N2 H16 175.0 . . . no C2 N2 H30 85.3 . . . no C2 N2 H31 121.2 . . . no C3 N2 C4 27.5(10) . . . ? C3 N2 C6 62.0(8) . . . ? C3 N2 C7 70.5(5) . . . ? C3 N2 C8 111.6(6) . . . ? C3 N2 C11 170.8(7) . . . ? C3 N2 C18 143.9(8) . . . ? C3 N2 C35 104.8(6) . . . ? C3 N2 H1 10.6 . . . no C3 N2 H1 119.2 . . . no C3 N2 H5 55.8 . . . no C3 N2 H6 61.2 . . . no C3 N2 H7 87.3 . . . no C3 N2 H8 118.7 . . . no C3 N2 H10 167.9 . . . no C3 N2 H16 147.2 . . . no C3 N2 H30 74.3 . . . no C3 N2 H31 110.8 . . . no C4 N2 C6 34.6(10) . . . ? C4 N2 C7 98.0(11) . . . ? C4 N2 C8 91.9(11) . . . ? C4 N2 C11 161.7(13) . . . ? C4 N2 C18 116.8(12) . . . ? C4 N2 C35 93.2(10) . . . ? C4 N2 H1 16.9 . . . no C4 N2 H1 141.5 . . . no C4 N2 H5 29.8 . . . no C4 N2 H6 37.1 . . . no C4 N2 H7 59.8 . . . no C4 N2 H8 96.7 . . . no C4 N2 H10 160.4 . . . no C4 N2 H16 119.8 . . . no C4 N2 H30 67.5 . . . no C4 N2 H31 96.9 . . . no C6 N2 C7 132.4(7) . . . ? C6 N2 C8 68.9(6) . . . ? C6 N2 C11 127.1(7) . . . ? C6 N2 C18 82.4(6) . . . ? C6 N2 C35 76.1(5) . . . ? C6 N2 H1 51.5 . . . no C6 N2 H1 151.9 . . . no C6 N2 H5 15.9 . . . no C6 N2 H6 18.7 . . . no C6 N2 H7 25.6 . . . no C6 N2 H8 69.9 . . . no C6 N2 H10 126.6 . . . no C6 N2 H16 85.2 . . . no C6 N2 H30 64.2 . . . no C6 N2 H31 76.3 . . . no C7 N2 C8 136.7(5) . . . ? C7 N2 C11 100.4(4) . . . ? C7 N2 C18 144.0(5) . . . ? C7 N2 C35 115.1(5) . . . ? C7 N2 H1 81.1 . . . no C7 N2 H1 56.1 . . . no C7 N2 H5 124.6 . . . no C7 N2 H6 126.2 . . . no C7 N2 H7 157.8 . . . no C7 N2 H8 143.0 . . . no C7 N2 H10 100.0 . . . no C7 N2 H16 142.0 . . . no C7 N2 H30 101.0 . . . no C7 N2 H31 120.4 . . . no C8 N2 C11 75.3(4) 3_665 3_665 3_665 ? C8 N2 C18 55.3(4) 3_665 3_665 3_665 ? C8 N2 C35 106.2(5) 3_665 3_665 3_665 ? C8 N2 H1 103.6 3_665 3_665 3_665 no C8 N2 H1 126.5 3_665 3_665 3_665 no C8 N2 H5 63.7 3_665 3_665 3_665 no C8 N2 H6 84.8 3_665 3_665 3_665 no C8 N2 H7 50.5 3_665 3_665 3_665 no C8 N2 H8 9.4 3_665 3_665 3_665 no C8 N2 H10 80.4 3_665 3_665 3_665 no C8 N2 H16 52.6 3_665 3_665 3_665 no C8 N2 H30 121.6 3_665 3_665 3_665 no C8 N2 H31 99.8 3_665 3_665 3_665 no C11 N2 C18 45.0(4) 2_645 2_645 2_645 ? C11 N2 C35 78.2(5) 2_645 2_645 2_645 ? C11 N2 H1 178.5 2_645 2_645 2_645 no C11 N2 H1 52.6 2_645 2_645 2_645 no C11 N2 H5 133.2 2_645 2_645 2_645 no C11 N2 H6 126.7 2_645 2_645 2_645 no C11 N2 H7 101.9 2_645 2_645 2_645 no C11 N2 H8 68.9 2_645 2_645 2_645 no C11 N2 H10 6.9 2_645 2_645 2_645 no C11 N2 H16 41.9 2_645 2_645 2_645 no C11 N2 H30 107.7 2_645 2_645 2_645 no C11 N2 H31 72.9 2_645 2_645 2_645 no C18 N2 C35 57.4(4) 2_645 2_645 2_645 ? C18 N2 H1 133.6 2_645 2_645 2_645 no C18 N2 H1 89.1 2_645 2_645 2_645 no C18 N2 H5 91.3 2_645 2_645 2_645 no C18 N2 H6 83.1 2_645 2_645 2_645 no C18 N2 H7 57.9 2_645 2_645 2_645 no C18 N2 H8 45.9 2_645 2_645 2_645 no C18 N2 H10 44.4 2_645 2_645 2_645 no C18 N2 H16 5.0 2_645 2_645 2_645 no C18 N2 H30 85.3 2_645 2_645 2_645 no C18 N2 H31 50.1 2_645 2_645 2_645 no C35 N2 H1 101.4 2_645 2_645 2_645 no C35 N2 H1 76.8 2_645 2_645 2_645 no C35 N2 H5 92.0 2_645 2_645 2_645 no C35 N2 H6 60.7 2_645 2_645 2_645 no C35 N2 H7 70.7 2_645 2_645 2_645 no C35 N2 H8 97.8 2_645 2_645 2_645 no C35 N2 H10 72.0 2_645 2_645 2_645 no C35 N2 H16 62.0 2_645 2_645 2_645 no C35 N2 H30 30.7 2_645 2_645 2_645 no C35 N2 H31 7.2 2_645 2_645 2_645 no H1 N2 H1 128.7 . . . no H1 N2 H5 45.3 . . . no H1 N2 H6 52.0 . . . no H1 N2 H7 76.7 . . . no H1 N2 H8 109.8 . . . no H1 N2 H10 173.1 . . . no H1 N2 H16 136.7 . . . no H1 N2 H30 72.0 . . . no H1 N2 H31 106.5 . . . no H1 N2 H5 166.4 4_565 4_565 4_565 no H1 N2 H6 133.8 4_565 4_565 4_565 no H1 N2 H7 142.6 4_565 4_565 4_565 no H1 N2 H8 121.3 4_565 4_565 4_565 no H1 N2 H10 48.9 4_565 4_565 4_565 no H1 N2 H16 88.4 4_565 4_565 4_565 no H1 N2 H30 88.5 4_565 4_565 4_565 no H1 N2 H31 77.8 4_565 4_565 4_565 no H5 N2 H6 33.0 . . . no H5 N2 H7 33.8 . . . no H5 N2 H8 67.3 . . . no H5 N2 H10 135.0 . . . no H5 N2 H16 93.1 . . . no H5 N2 H30 78.0 . . . no H5 N2 H31 92.1 . . . no H6 N2 H7 35.6 . . . no H6 N2 H8 83.9 . . . no H6 N2 H10 123.6 . . . no H6 N2 H16 87.1 . . . no H6 N2 H30 45.6 . . . no H6 N2 H31 62.5 . . . no H7 N2 H8 48.4 . . . no H7 N2 H10 102.2 . . . no H7 N2 H16 60.2 . . . no H7 N2 H30 72.9 . . . no H7 N2 H31 67.7 . . . no H8 N2 H10 73.4 3_665 3_665 3_665 no H8 N2 H16 43.2 3_665 3_665 3_665 no H8 N2 H30 116.0 3_665 3_665 3_665 no H8 N2 H31 91.2 3_665 3_665 3_665 no H10 N2 H16 42.1 2_645 2_645 2_645 no H10 N2 H30 101.1 2_645 2_645 2_645 no H10 N2 H31 67.1 2_645 2_645 2_645 no H16 N2 H30 90.2 2_645 2_645 2_645 no H16 N2 H31 54.8 2_645 2_645 2_645 no H30 N2 H31 37.3 2_645 2_645 2_645 no O2 N3 N4 57.5(7) . . . ? O2 N3 N4 63.2(4) . . . ? O2 N3 C19 28.3(10) . . . ? O2 N3 C20 148.9(14) . . . ? O2 N3 C21 119.0(9) . . . ? O2 N3 C22 87.2(8) . . . ? O2 N3 C23 177.0(7) . . . ? O2 N3 C25 90.1(8) . . . ? O2 N3 C26 87.3(5) . . . ? O2 N3 C27 87.0(4) . . . ? O2 N3 C29 89.3(5) . . . ? O2 N3 C30 90.0(6) . . . ? O2 N3 H17 128.1 . . . no O2 N3 H17 34.9 . . . no O2 N3 H18 168.5 . . . no O2 N3 H18 105.9 . . . no O2 N3 H19 153.9 . . . no O2 N3 H20 157.9 . . . no O2 N3 H23 53.0 . . . no O2 N3 H24 86.1 . . . no O2 N3 H25 101.7 . . . no O2 N3 H27 91.3 . . . no N4 N3 N4 64.6(5) . . . ? N4 N3 C19 29.2(10) . . . ? N4 N3 C20 91.5(11) . . . ? N4 N3 C21 61.5(6) . . . ? N4 N3 C22 29.7(4) . . . ? N4 N3 C23 124.4(8) . . . ? N4 N3 C25 147.4(12) . . . ? N4 N3 C26 131.9(7) . . . ? N4 N3 C27 137.5(6) . . . ? N4 N3 C29 144.4(7) . . . ? N4 N3 C30 140.3(8) . . . ? N4 N3 H17 70.7 . . . no N4 N3 H17 73.7 . . . no N4 N3 H18 115.1 . . . no N4 N3 H18 91.8 . . . no N4 N3 H19 147.6 . . . no N4 N3 H20 121.8 . . . no N4 N3 H23 93.2 . . . no N4 N3 H24 113.0 . . . no N4 N3 H25 87.3 . . . no N4 N3 H27 125.7 . . . no N4 N3 C19 59.9(9) 3_676 3_676 3_676 ? N4 N3 C20 103.5(9) 3_676 3_676 3_676 ? N4 N3 C21 89.6(6) 3_676 3_676 3_676 ? N4 N3 C22 75.2(6) 3_676 3_676 3_676 ? N4 N3 C23 115.1(4) 3_676 3_676 3_676 ? N4 N3 C25 106.1(9) 3_676 3_676 3_676 ? N4 N3 C26 130.6(6) 3_676 3_676 3_676 ? N4 N3 C27 122.4(5) 3_676 3_676 3_676 ? N4 N3 C29 90.4(4) 3_676 3_676 3_676 ? N4 N3 C30 81.1(5) 3_676 3_676 3_676 ? N4 N3 H17 93.0 3_676 3_676 3_676 no N4 N3 H17 98.0 3_676 3_676 3_676 no N4 N3 H18 123.5 3_676 3_676 3_676 no N4 N3 H18 156.4 3_676 3_676 3_676 no N4 N3 H19 125.5 3_676 3_676 3_676 no N4 N3 H20 95.8 3_676 3_676 3_676 no N4 N3 H23 42.0 3_676 3_676 3_676 no N4 N3 H24 145.5 3_676 3_676 3_676 no N4 N3 H25 38.6 3_676 3_676 3_676 no N4 N3 H27 61.6 3_676 3_676 3_676 no C19 N3 C20 120.6(17) . . . ? C19 N3 C21 90.7(13) . . . ? C19 N3 C22 58.8(11) . . . ? C19 N3 C23 153.5(14) . . . ? C19 N3 C25 118.4(15) . . . ? C19 N3 C26 110.3(11) . . . ? C19 N3 C27 112.6(11) . . . ? C19 N3 C29 116.8(12) . . . ? C19 N3 C30 115.7(12) . . . ? C19 N3 H17 99.9 . . . no C19 N3 H17 50.8 . . . no C19 N3 H18 143.6 . . . no C19 N3 H18 100.1 . . . no C19 N3 H19 173.9 . . . no C19 N3 H20 146.3 . . . no C19 N3 H23 71.6 . . . no C19 N3 H24 100.3 . . . no C19 N3 H25 95.3 . . . no C19 N3 H27 110.1 . . . no C20 N3 C21 29.9(9) . . . ? C20 N3 C22 61.8(10) . . . ? C20 N3 C23 32.9(10) . . . ? C20 N3 C25 121.0(16) . . . ? C20 N3 C26 119.3(12) . . . ? C20 N3 C27 122.1(12) . . . ? C20 N3 C29 120.0(12) . . . ? C20 N3 C30 116.8(12) . . . ? C20 N3 H17 20.8 . . . no C20 N3 H17 145.5 . . . no C20 N3 H18 26.6 . . . no C20 N3 H18 74.8 . . . no C20 N3 H19 57.1 . . . no C20 N3 H20 37.6 . . . no C20 N3 H23 135.8 . . . no C20 N3 H24 111.1 . . . no C20 N3 H25 71.8 . . . no C20 N3 H27 107.2 . . . no C21 N3 C22 31.9(4) . . . ? C21 N3 C23 62.9(7) . . . ? C21 N3 C25 150.9(13) . . . ? C21 N3 C26 139.6(8) . . . ? C21 N3 C27 146.5(7) . . . ? C21 N3 C29 147.8(7) . . . ? C21 N3 C30 141.4(8) . . . ? C21 N3 H17 9.3 . . . no C21 N3 H17 125.6 . . . no C21 N3 H18 54.9 . . . no C21 N3 H18 77.4 . . . no C21 N3 H19 86.7 . . . no C21 N3 H20 64.3 . . . no C21 N3 H23 131.3 . . . no C21 N3 H24 120.5 . . . no C21 N3 H25 72.8 . . . no C21 N3 H27 123.6 . . . no C22 N3 C23 94.7(7) . . . ? C22 N3 C25 176.1(11) . . . ? C22 N3 C26 145.8(6) . . . ? C22 N3 C27 155.6(5) . . . ? C22 N3 C29 165.1(6) . . . ? C22 N3 C30 154.7(6) . . . ? C22 N3 H17 41.1 . . . no C22 N3 H17 99.0 . . . no C22 N3 H18 85.9 . . . no C22 N3 H18 83.7 . . . no C22 N3 H19 118.3 . . . no C22 N3 H20 94.3 . . . no C22 N3 H23 114.2 . . . no C22 N3 H24 121.0 . . . no C22 N3 H25 79.1 . . . no C22 N3 H27 131.8 . . . no C23 N3 C25 88.1(10) . . . ? C23 N3 C26 92.4(6) . . . ? C23 N3 C27 92.2(5) . . . ? C23 N3 C29 88.3(6) . . . ? C23 N3 C30 87.3(6) . . . ? C23 N3 H17 53.7 . . . no C23 N3 H17 146.5 . . . no C23 N3 H18 14.5 . . . no C23 N3 H18 76.6 . . . no C23 N3 H19 24.8 . . . no C23 N3 H20 19.8 . . . no C23 N3 H23 124.1 . . . no C23 N3 H24 94.9 . . . no C23 N3 H25 76.5 . . . no C23 N3 H27 85.7 . . . no C25 N3 C26 31.1(8) . . . ? C25 N3 C27 21.1(8) . . . ? C25 N3 C29 17.3(9) . . . ? C25 N3 C30 27.9(8) . . . ? C25 N3 H17 141.8 . . . no C25 N3 H17 77.2 . . . no C25 N3 H18 96.3 . . . no C25 N3 H18 94.4 . . . no C25 N3 H19 64.1 . . . no C25 N3 H20 89.3 . . . no C25 N3 H23 66.1 . . . no C25 N3 H24 55.9 . . . no C25 N3 H25 104.2 . . . no C25 N3 H27 51.0 . . . no C26 N3 C27 10.1(4) . . . ? C26 N3 C29 48.3(5) . . . ? C26 N3 C30 59.0(6) . . . ? C26 N3 H17 135.2 . . . no C26 N3 H17 59.9 . . . no C26 N3 H18 93.3 . . . no C26 N3 H18 65.5 . . . no C26 N3 H19 68.7 . . . no C26 N3 H20 103.3 . . . no C26 N3 H23 88.7 . . . no C26 N3 H24 24.8 . . . no C26 N3 H25 135.1 . . . no C26 N3 H27 82.1 . . . no C27 N3 C29 38.2(3) . . . ? C27 N3 C30 48.9(5) . . . ? C27 N3 H17 140.4 . . . no C27 N3 H17 63.9 . . . no C27 N3 H18 95.5 . . . no C27 N3 H18 75.2 . . . no C27 N3 H19 67.6 . . . no C27 N3 H20 100.0 . . . no C27 N3 H23 80.5 . . . no C27 N3 H24 34.8 . . . no C27 N3 H25 125.3 . . . no C27 N3 H27 72.0 . . . no C29 N3 C30 10.7(4) . . . ? C29 N3 H17 139.1 . . . no C29 N3 H17 86.2 . . . no C29 N3 H18 99.6 . . . no C29 N3 H18 111.1 . . . no C29 N3 H19 67.4 . . . no C29 N3 H20 83.7 . . . no C29 N3 H23 53.2 . . . no C29 N3 H24 73.0 . . . no C29 N3 H25 87.5 . . . no C29 N3 H27 33.8 . . . no C30 N3 H17 133.6 . . . no C30 N3 H17 92.8 . . . no C30 N3 H18 100.1 . . . no C30 N3 H18 121.1 . . . no C30 N3 H19 69.4 . . . no C30 N3 H20 79.3 . . . no C30 N3 H23 47.1 . . . no C30 N3 H24 83.8 . . . no C30 N3 H25 76.9 . . . no C30 N3 H27 23.1 . . . no H17 N3 H17 133.5 . . . no H17 N3 H18 46.3 . . . no H17 N3 H18 77.4 . . . no H17 N3 H19 77.8 . . . no H17 N3 H20 55.4 . . . no H17 N3 H23 133.1 . . . no H17 N3 H24 119.5 . . . no H17 N3 H25 70.8 . . . no H17 N3 H27 118.1 . . . no H17 N3 H18 137.8 4_575 4_575 4_575 no H17 N3 H18 74.7 4_575 4_575 4_575 no H17 N3 H19 127.2 4_575 4_575 4_575 no H17 N3 H20 162.9 4_575 4_575 4_575 no H17 N3 H23 77.2 4_575 4_575 4_575 no H17 N3 H24 51.9 4_575 4_575 4_575 no H17 N3 H25 136.1 4_575 4_575 4_575 no H17 N3 H27 106.8 4_575 4_575 4_575 no H18 N3 H18 64.1 . . . no H18 N3 H19 32.6 . . . no H18 N3 H20 32.4 . . . no H18 N3 H23 138.5 . . . no H18 N3 H24 89.6 . . . no H18 N3 H25 86.1 . . . no H18 N3 H27 100.1 . . . no H18 N3 H19 73.9 3_686 3_686 3_686 no H18 N3 H20 96.2 3_686 3_686 3_686 no H18 N3 H23 148.8 3_686 3_686 3_686 no H18 N3 H24 43.2 3_686 3_686 3_686 no H18 N3 H25 146.5 3_686 3_686 3_686 no H18 N3 H27 141.9 3_686 3_686 3_686 no H19 N3 H20 35.8 . . . no H19 N3 H23 114.2 . . . no H19 N3 H24 76.3 . . . no H19 N3 H25 89.3 . . . no H19 N3 H27 76.0 . . . no H20 N3 H23 107.1 . . . no H20 N3 H24 111.7 . . . no H20 N3 H25 57.2 . . . no H20 N3 H27 71.3 . . . no H23 N3 H24 107.3 3_676 3_676 3_676 no H23 N3 H25 64.5 3_676 3_676 3_676 no H23 N3 H27 39.1 3_676 3_676 3_676 no H24 N3 H25 159.1 . . . no H24 N3 H27 106.9 . . . no H25 N3 H27 54.1 4_475 4_475 4_475 no O2 N4 O2 107.0(5) . . . ? O2 N4 N3 58.7(6) . . . ? O2 N4 N3 89.9(5) . . . ? O2 N4 N4 69.2(6) . . . ? O2 N4 C19 27.7(12) . . . ? O2 N4 C19 89.0(7) . . . ? O2 N4 C20 88.0(7) . . . ? O2 N4 C21 117.5(8) . . . ? O2 N4 C22 145.6(13) . . . ? O2 N4 C24 177.5(7) . . . ? O2 N4 C25 46.7(4) . . . ? O2 N4 C27 64.2(5) . . . ? O2 N4 H13 101.8 . . . no O2 N4 H17 126.7 . . . no O2 N4 H17 32.2 . . . no O2 N4 H21 159.7 . . . no O2 N4 H22 165.9 . . . no O2 N4 H23 155.2 . . . no O2 N4 H25 67.3 . . . no O2 N4 H27 118.4 . . . no O2 N4 H28 100.4 . . . no O2 N4 N3 96.7(4) 3_676 3_676 3_676 ? O2 N4 N3 36.4(3) 3_676 3_676 3_676 ? O2 N4 N4 37.8(3) 3_676 3_676 3_676 ? O2 N4 C19 103.9(11) 3_676 3_676 3_676 ? O2 N4 C19 20.9(3) 3_676 3_676 3_676 ? O2 N4 C20 87.0(5) 3_676 3_676 3_676 ? O2 N4 C21 78.1(5) 3_676 3_676 3_676 ? O2 N4 C22 72.9(8) 3_676 3_676 3_676 ? O2 N4 C24 70.9(5) 3_676 3_676 3_676 ? O2 N4 C25 101.2(4) 3_676 3_676 3_676 ? O2 N4 C27 105.2(4) 3_676 3_676 3_676 ? O2 N4 H13 150.8 3_676 3_676 3_676 no O2 N4 H17 74.6 3_676 3_676 3_676 no O2 N4 H17 138.8 3_676 3_676 3_676 no O2 N4 H21 91.4 3_676 3_676 3_676 no O2 N4 H22 68.4 3_676 3_676 3_676 no O2 N4 H23 54.9 3_676 3_676 3_676 no O2 N4 H25 106.7 3_676 3_676 3_676 no O2 N4 H27 63.5 3_676 3_676 3_676 no O2 N4 H28 121.5 3_676 3_676 3_676 no N3 N4 N3 115.4(5) . . . ? N3 N4 N4 77.3(6) . . . ? N3 N4 C19 31.0(11) . . . ? N3 N4 C19 96.6(7) . . . ? N3 N4 C20 29.3(4) . . . ? N3 N4 C21 58.8(5) . . . ? N3 N4 C22 86.9(10) . . . ? N3 N4 C24 119.9(8) . . . ? N3 N4 C25 12.1(4) . . . ? N3 N4 C27 122.6(8) . . . ? N3 N4 H13 94.2 . . . no N3 N4 H17 68.1 . . . no N3 N4 H17 68.7 . . . no N3 N4 H21 128.9 . . . no N3 N4 H22 107.9 . . . no N3 N4 H23 133.4 . . . no N3 N4 H25 125.3 . . . no N3 N4 H27 159.1 . . . no N3 N4 H28 141.3 . . . no N3 N4 N4 38.0(4) 3_676 3_676 3_676 ? N3 N4 C19 103.5(13) 3_676 3_676 3_676 ? N3 N4 C19 21.8(4) 3_676 3_676 3_676 ? N3 N4 C20 118.8(5) 3_676 3_676 3_676 ? N3 N4 C21 114.5(5) 3_676 3_676 3_676 ? N3 N4 C22 105.0(9) 3_676 3_676 3_676 ? N3 N4 C24 89.0(5) 3_676 3_676 3_676 ? N3 N4 C25 112.7(5) 3_676 3_676 3_676 ? N3 N4 C27 68.8(3) 3_676 3_676 3_676 ? N3 N4 H13 150.0 3_676 3_676 3_676 no N3 N4 H17 110.5 3_676 3_676 3_676 no N3 N4 H17 114.1 3_676 3_676 3_676 no N3 N4 H21 100.5 3_676 3_676 3_676 no N3 N4 H22 92.8 3_676 3_676 3_676 no N3 N4 H23 65.5 3_676 3_676 3_676 no N3 N4 H25 70.4 3_676 3_676 3_676 no N3 N4 H27 44.7 3_676 3_676 3_676 no N3 N4 H28 95.0 3_676 3_676 3_676 no N4 N4 C19 70.6(11) 3_676 3_676 3_676 ? N4 N4 C19 22.5(3) 3_676 3_676 3_676 ? N4 N4 C20 85.8(6) 3_676 3_676 3_676 ? N4 N4 C21 95.4(6) 3_676 3_676 3_676 ? N4 N4 C22 104.0(9) 3_676 3_676 3_676 ? N4 N4 C24 108.8(6) 3_676 3_676 3_676 ? N4 N4 C25 75.5(6) 3_676 3_676 3_676 ? N4 N4 C27 88.7(5) 3_676 3_676 3_676 ? N4 N4 H13 169.9 3_676 3_676 3_676 no N4 N4 H17 97.1 3_676 3_676 3_676 no N4 N4 H17 101.1 3_676 3_676 3_676 no N4 N4 H21 128.7 3_676 3_676 3_676 no N4 N4 H22 105.2 3_676 3_676 3_676 no N4 N4 H23 91.1 3_676 3_676 3_676 no N4 N4 H25 91.9 3_676 3_676 3_676 no N4 N4 H27 82.5 3_676 3_676 3_676 no N4 N4 H28 128.8 3_676 3_676 3_676 no C19 N4 C19 93.1(13) . . . ? C19 N4 C20 60.3(13) . . . ? C19 N4 C21 89.8(14) . . . ? C19 N4 C22 117.9(18) . . . ? C19 N4 C24 150.8(15) . . . ? C19 N4 C25 19.0(12) . . . ? C19 N4 C27 91.8(14) . . . ? C19 N4 H13 99.3 . . . no C19 N4 H17 99.0 . . . no C19 N4 H17 44.9 . . . no C19 N4 H21 155.0 . . . no C19 N4 H22 138.8 . . . no C19 N4 H23 157.1 . . . no C19 N4 H25 94.6 . . . no C19 N4 H27 142.7 . . . no C19 N4 H28 122.1 . . . no C19 N4 C20 97.1(6) 3_676 3_676 3_676 ? C19 N4 C21 95.8(6) 3_676 3_676 3_676 ? C19 N4 C22 93.8(9) 3_676 3_676 3_676 ? C19 N4 C24 89.2(7) 3_676 3_676 3_676 ? C19 N4 C25 96.8(7) 3_676 3_676 3_676 ? C19 N4 C27 87.9(5) 3_676 3_676 3_676 ? C19 N4 H13 167.6 3_676 3_676 3_676 no C19 N4 H17 93.8 3_676 3_676 3_676 no C19 N4 H17 119.4 3_676 3_676 3_676 no C19 N4 H21 107.1 3_676 3_676 3_676 no C19 N4 H22 88.4 3_676 3_676 3_676 no C19 N4 H23 69.3 3_676 3_676 3_676 no C19 N4 H25 90.1 3_676 3_676 3_676 no C19 N4 H27 62.5 3_676 3_676 3_676 no C19 N4 H28 116.6 3_676 3_676 3_676 no C20 N4 C21 29.5(4) . . . ? C20 N4 C22 57.6(10) . . . ? C20 N4 C24 90.6(7) . . . ? C20 N4 C25 41.4(5) . . . ? C20 N4 C27 151.7(8) . . . ? C20 N4 H13 89.4 . . . no C20 N4 H17 38.8 . . . no C20 N4 H17 94.1 . . . no C20 N4 H21 101.8 . . . no C20 N4 H22 78.7 . . . no C20 N4 H23 106.0 . . . no C20 N4 H25 154.1 . . . no C20 N4 H27 144.3 . . . no C20 N4 H28 145.3 . . . no C21 N4 C22 28.1(9) . . . ? C21 N4 C24 61.0(7) . . . ? C21 N4 C25 70.9(6) . . . ? C21 N4 C27 175.9(6) . . . ? C21 N4 H13 84.6 . . . no C21 N4 H17 9.3 . . . no C21 N4 H17 119.3 . . . no C21 N4 H21 74.0 . . . no C21 N4 H22 49.1 . . . no C21 N4 H23 78.0 . . . no C21 N4 H25 172.4 . . . no C21 N4 H27 118.7 . . . no C21 N4 H28 130.5 . . . no C22 N4 C24 32.9(10) . . . ? C22 N4 C25 99.0(11) . . . ? C22 N4 C27 150.1(13) . . . ? C22 N4 H13 80.7 . . . no C22 N4 H17 19.0 . . . no C22 N4 H17 139.9 . . . no C22 N4 H21 47.8 . . . no C22 N4 H22 21.2 . . . no C22 N4 H23 51.9 . . . no C22 N4 H25 146.9 . . . no C22 N4 H27 92.9 . . . no C22 N4 H28 108.8 . . . no C24 N4 C25 132.0(6) . . . ? C24 N4 C27 117.4(7) . . . ? C24 N4 H13 80.1 . . . no C24 N4 H17 51.8 . . . no C24 N4 H17 150.0 . . . no C24 N4 H21 22.8 . . . no C24 N4 H22 12.2 . . . no C24 N4 H23 24.1 . . . no C24 N4 H25 114.4 . . . no C24 N4 H27 62.1 . . . no C24 N4 H28 82.0 . . . no C25 N4 C27 110.4(5) . . . ? C25 N4 H13 95.0 . . . no C25 N4 H17 80.2 . . . no C25 N4 H17 58.1 . . . no C25 N4 H21 139.1 . . . no C25 N4 H22 120.0 . . . no C25 N4 H23 144.5 . . . no C25 N4 H25 113.2 . . . no C25 N4 H27 157.0 . . . no C25 N4 H28 133.9 . . . no C27 N4 H13 91.4 2_646 2_646 2_646 no C27 N4 H17 169.0 2_646 2_646 2_646 no C27 N4 H17 59.9 2_646 2_646 2_646 no C27 N4 H21 103.3 2_646 2_646 2_646 no C27 N4 H22 129.5 2_646 2_646 2_646 no C27 N4 H23 101.8 2_646 2_646 2_646 no C27 N4 H25 3.7 2_646 2_646 2_646 no C27 N4 H27 61.6 2_646 2_646 2_646 no C27 N4 H28 45.7 2_646 2_646 2_646 no H13 N4 H17 84.6 2_656 2_656 2_656 no H13 N4 H17 70.3 2_656 2_656 2_656 no H13 N4 H21 61.0 2_656 2_656 2_656 no H13 N4 H22 82.5 2_656 2_656 2_656 no H13 N4 H23 98.8 2_656 2_656 2_656 no H13 N4 H25 88.6 2_656 2_656 2_656 no H13 N4 H27 106.4 2_656 2_656 2_656 no H13 N4 H28 55.9 2_656 2_656 2_656 no H17 N4 H17 127.5 . . . no H17 N4 H21 65.8 . . . no H17 N4 H22 39.9 . . . no H17 N4 H23 68.8 . . . no H17 N4 H25 165.6 . . . no H17 N4 H27 109.7 . . . no H17 N4 H28 124.8 . . . no H17 N4 H21 128.2 4_575 4_575 4_575 no H17 N4 H22 152.0 4_575 4_575 4_575 no H17 N4 H23 157.2 4_575 4_575 4_575 no H17 N4 H25 61.1 4_575 4_575 4_575 no H17 N4 H27 121.2 4_575 4_575 4_575 no H17 N4 H28 77.4 4_575 4_575 4_575 no H21 N4 H22 32.0 . . . no H21 N4 H23 37.8 . . . no H21 N4 H25 99.7 . . . no H21 N4 H27 62.0 . . . no H21 N4 H28 61.7 . . . no H22 N4 H23 31.9 . . . no H22 N4 H25 126.6 . . . no H22 N4 H27 72.2 . . . no H22 N4 H28 93.1 . . . no H23 N4 H25 99.8 . . . no H23 N4 H27 41.1 . . . no H23 N4 H28 79.9 . . . no H25 N4 H27 60.2 2_646 2_646 2_646 no H25 N4 H28 42.0 2_646 2_646 2_646 no H27 N4 H28 58.0 3_676 3_676 3_676 no O1 C1 O1 107.5(12) . . . ? O1 C1 N1 116.6(19) . . . ? O1 C1 N2 122.0(22) . . . ? O1 C1 N2 76.7(11) . . . ? O1 C1 C1 88.2(13) . . . ? O1 C1 C2 146.6(18) . . . ? O1 C1 C3 174.2(16) . . . ? O1 C1 C3 44.1(9) . . . ? O1 C1 C4 153.0(19) . . . ? O1 C1 C4 57.7(10) . . . ? O1 C1 C5 134.5(15) . . . ? O1 C1 C6 140.8(16) . . . ? O1 C1 C7 86.4(13) . . . ? O1 C1 C8 77.7(12) . . . ? O1 C1 C12 83.8(12) . . . ? O1 C1 H1 173.7 . . . no O1 C1 H1 42.5 . . . no O1 C1 H3 125.5 . . . no O1 C1 H4 25.6 . . . no O1 C1 H7 124.4 . . . no O1 C1 H8 80.2 . . . no O1 C1 H8 96.6 . . . no O1 C1 H10 52.7 . . . no O1 C1 H11 90.5 . . . no O1 C1 H11 13.2 . . . no O1 C1 H16 84.5 . . . no O1 C1 H31 102.7 . . . no O1 C1 N1 94.1(10) 3_665 3_665 3_665 ? O1 C1 N2 69.8(9) 3_665 3_665 3_665 ? O1 C1 N2 35.9(3) 3_665 3_665 3_665 ? O1 C1 C1 19.3(3) 3_665 3_665 3_665 ? O1 C1 C2 79.5(6) 3_665 3_665 3_665 ? O1 C1 C3 69.1(6) 3_665 3_665 3_665 ? O1 C1 C3 151.5(7) 3_665 3_665 3_665 ? O1 C1 C4 64.8(6) 3_665 3_665 3_665 ? O1 C1 C4 52.3(4) 3_665 3_665 3_665 ? O1 C1 C5 84.2(5) 3_665 3_665 3_665 ? O1 C1 C6 65.6(5) 3_665 3_665 3_665 ? O1 C1 C7 108.0(8) 3_665 3_665 3_665 ? O1 C1 C8 91.1(5) 3_665 3_665 3_665 ? O1 C1 C12 128.9(7) 3_665 3_665 3_665 ? O1 C1 H1 67.4 3_665 3_665 3_665 no O1 C1 H1 149.3 3_665 3_665 3_665 no O1 C1 H3 126.8 3_665 3_665 3_665 no O1 C1 H4 116.1 3_665 3_665 3_665 no O1 C1 H7 65.5 3_665 3_665 3_665 no O1 C1 H8 72.6 3_665 3_665 3_665 no O1 C1 H8 51.5 3_665 3_665 3_665 no O1 C1 H10 102.6 3_665 3_665 3_665 no O1 C1 H11 142.4 3_665 3_665 3_665 no O1 C1 H11 104.8 3_665 3_665 3_665 no O1 C1 H16 83.0 3_665 3_665 3_665 no O1 C1 H31 111.2 3_665 3_665 3_665 no N1 C1 N2 121.4(18) . . . ? N1 C1 N2 91.9(10) . . . ? N1 C1 C1 103.3(12) . . . ? N1 C1 C2 30.3(8) . . . ? N1 C1 C3 59.8(10) . . . ? N1 C1 C3 100.5(11) . . . ? N1 C1 C4 90.2(12) . . . ? N1 C1 C4 101.9(11) . . . ? N1 C1 C5 18.3(8) . . . ? N1 C1 C6 102.6(12) . . . ? N1 C1 C7 30.4(8) . . . ? N1 C1 C8 42.2(9) . . . ? N1 C1 C12 40.8(8) . . . ? N1 C1 H1 61.3 . . . no N1 C1 H1 105.5 . . . no N1 C1 H3 60.5 . . . no N1 C1 H4 91.4 . . . no N1 C1 H7 118.9 . . . no N1 C1 H8 50.3 . . . no N1 C1 H8 139.2 . . . no N1 C1 H10 162.3 . . . no N1 C1 H11 48.4 . . . no N1 C1 H11 129.7 . . . no N1 C1 H16 158.4 . . . no N1 C1 H31 123.8 . . . no N2 C1 N2 101.5(11) . . . ? N2 C1 C1 79.7(11) . . . ? N2 C1 C2 91.2(12) . . . ? N2 C1 C3 61.8(10) . . . ? N2 C1 C3 120.4(13) . . . ? N2 C1 C4 31.4(9) . . . ? N2 C1 C4 108.9(13) . . . ? N2 C1 C5 103.4(13) . . . ? N2 C1 C6 19.0(9) . . . ? N2 C1 C7 151.2(17) . . . ? N2 C1 C8 155.4(13) . . . ? N2 C1 C12 144.8(14) . . . ? N2 C1 H1 60.4 . . . no N2 C1 H1 116.4 . . . no N2 C1 H3 84.5 . . . no N2 C1 H4 146.9 . . . no N2 C1 H7 4.7 . . . no N2 C1 H8 140.6 . . . no N2 C1 H8 34.5 . . . no N2 C1 H10 71.0 . . . no N2 C1 H11 127.9 . . . no N2 C1 H11 108.9 . . . no N2 C1 H16 37.7 . . . no N2 C1 H31 41.9 . . . no N2 C1 C1 21.7(3) 3_665 3_665 3_665 ? N2 C1 C2 95.2(6) 3_665 3_665 3_665 ? N2 C1 C3 98.5(6) 3_665 3_665 3_665 ? N2 C1 C3 118.6(7) 3_665 3_665 3_665 ? N2 C1 C4 100.6(7) 3_665 3_665 3_665 ? N2 C1 C4 19.1(2) 3_665 3_665 3_665 ? N2 C1 C5 92.8(5) 3_665 3_665 3_665 ? N2 C1 C6 101.1(6) 3_665 3_665 3_665 ? N2 C1 C7 88.3(8) 3_665 3_665 3_665 ? N2 C1 C8 66.7(5) 3_665 3_665 3_665 ? N2 C1 C12 108.1(8) 3_665 3_665 3_665 ? N2 C1 H1 97.3 3_665 3_665 3_665 no N2 C1 H1 118.4 3_665 3_665 3_665 no N2 C1 H3 149.5 3_665 3_665 3_665 no N2 C1 H4 80.4 3_665 3_665 3_665 no N2 C1 H7 97.9 3_665 3_665 3_665 no N2 C1 H8 48.6 3_665 3_665 3_665 no N2 C1 H8 72.6 3_665 3_665 3_665 no N2 C1 H10 98.2 3_665 3_665 3_665 no N2 C1 H11 126.8 3_665 3_665 3_665 no N2 C1 H11 79.0 3_665 3_665 3_665 no N2 C1 H16 97.9 3_665 3_665 3_665 no N2 C1 H31 137.2 3_665 3_665 3_665 no C1 C1 C2 95.7(8) 3_665 3_665 3_665 ? C1 C1 C3 88.3(8) 3_665 3_665 3_665 ? C1 C1 C3 132.3(9) 3_665 3_665 3_665 ? C1 C1 C4 82.0(8) 3_665 3_665 3_665 ? C1 C1 C4 34.3(5) 3_665 3_665 3_665 ? C1 C1 C5 97.9(8) 3_665 3_665 3_665 ? C1 C1 C6 80.5(7) 3_665 3_665 3_665 ? C1 C1 C7 107.6(10) 3_665 3_665 3_665 ? C1 C1 C8 86.9(8) 3_665 3_665 3_665 ? C1 C1 C12 128.4(10) 3_665 3_665 3_665 ? C1 C1 H1 86.6 3_665 3_665 3_665 no C1 C1 H1 130.2 3_665 3_665 3_665 no C1 C1 H3 146.0 3_665 3_665 3_665 no C1 C1 H4 98.6 3_665 3_665 3_665 no C1 C1 H7 76.2 3_665 3_665 3_665 no C1 C1 H8 68.2 3_665 3_665 3_665 no C1 C1 H8 52.3 3_665 3_665 3_665 no C1 C1 H10 91.1 3_665 3_665 3_665 no C1 C1 H11 146.4 3_665 3_665 3_665 no C1 C1 H11 86.0 3_665 3_665 3_665 no C1 C1 H16 80.7 3_665 3_665 3_665 no C1 C1 H31 117.1 3_665 3_665 3_665 no C2 C1 C3 29.5(5) . . . ? C2 C1 C3 123.8(9) . . . ? C2 C1 C4 59.9(7) . . . ? C2 C1 C4 112.0(7) . . . ? C2 C1 C5 12.1(6) . . . ? C2 C1 C6 72.4(7) . . . ? C2 C1 C7 60.7(9) . . . ? C2 C1 C8 69.5(8) . . . ? C2 C1 C12 67.8(8) . . . ? C2 C1 H1 31.0 . . . no C2 C1 H1 128.1 . . . no C2 C1 H3 54.6 . . . no C2 C1 H4 121.7 . . . no C2 C1 H7 88.6 . . . no C2 C1 H8 70.7 . . . no C2 C1 H8 111.9 . . . no C2 C1 H10 159.6 . . . no C2 C1 H11 68.3 . . . no C2 C1 H11 159.7 . . . no C2 C1 H16 128.9 . . . no C2 C1 H31 104.9 . . . no C3 C1 C3 139.3(7) . . . ? C3 C1 C4 30.4(5) . . . ? C3 C1 C4 117.6(7) . . . ? C3 C1 C5 41.6(6) . . . ? C3 C1 C6 42.9(6) . . . ? C3 C1 C7 90.2(10) . . . ? C3 C1 C8 97.5(9) . . . ? C3 C1 C12 94.8(8) . . . ? C3 C1 H1 2.0 . . . no C3 C1 H1 141.4 . . . no C3 C1 H3 57.7 . . . no C3 C1 H4 151.2 . . . no C3 C1 H7 59.1 . . . no C3 C1 H8 94.1 . . . no C3 C1 H8 84.9 . . . no C3 C1 H10 132.1 . . . no C3 C1 H11 89.8 . . . no C3 C1 H11 169.9 . . . no C3 C1 H16 99.5 . . . no C3 C1 H31 83.0 . . . no C3 C1 C4 138.7(9) 4_565 4_565 4_565 ? C3 C1 C4 100.5(7) 4_565 4_565 4_565 ? C3 C1 C5 115.6(6) 4_565 4_565 4_565 ? C3 C1 C6 132.9(7) 4_565 4_565 4_565 ? C3 C1 C7 75.8(6) 4_565 4_565 4_565 ? C3 C1 C8 83.8(6) 4_565 4_565 4_565 ? C3 C1 C12 59.8(4) 4_565 4_565 4_565 ? C3 C1 H1 141.1 4_565 4_565 4_565 no C3 C1 H1 5.0 4_565 4_565 4_565 no C3 C1 H3 81.6 4_565 4_565 4_565 no C3 C1 H4 40.0 4_565 4_565 4_565 no C3 C1 H7 125.1 4_565 4_565 4_565 no C3 C1 H8 98.3 4_565 4_565 4_565 no C3 C1 H8 120.1 4_565 4_565 4_565 no C3 C1 H10 61.8 4_565 4_565 4_565 no C3 C1 H11 55.5 4_565 4_565 4_565 no C3 C1 H11 47.5 4_565 4_565 4_565 no C3 C1 H16 91.7 4_565 4_565 4_565 no C3 C1 H31 80.6 4_565 4_565 4_565 no C4 C1 C4 116.3(8) . . . ? C4 C1 C5 72.0(8) . . . ? C4 C1 C6 12.4(7) . . . ? C4 C1 C7 120.5(12) . . . ? C4 C1 C8 126.5(10) . . . ? C4 C1 C12 121.8(10) . . . ? C4 C1 H1 29.0 . . . no C4 C1 H1 136.8 . . . no C4 C1 H3 69.2 . . . no C4 C1 H4 178.2 . . . no C4 C1 H7 28.7 . . . no C4 C1 H8 118.5 . . . no C4 C1 H8 57.7 . . . no C4 C1 H10 102.2 . . . no C4 C1 H11 111.3 . . . no C4 C1 H11 140.0 . . . no C4 C1 H16 69.1 . . . no C4 C1 H31 60.8 . . . no C4 C1 C5 107.4(6) 3_665 3_665 3_665 ? C4 C1 C6 114.0(6) 3_665 3_665 3_665 ? C4 C1 C7 89.1(8) 3_665 3_665 3_665 ? C4 C1 C8 67.2(5) 3_665 3_665 3_665 ? C4 C1 C12 105.2(7) 3_665 3_665 3_665 ? C4 C1 H1 116.3 3_665 3_665 3_665 no C4 C1 H1 99.8 3_665 3_665 3_665 no C4 C1 H3 162.2 3_665 3_665 3_665 no C4 C1 H4 64.3 3_665 3_665 3_665 no C4 C1 H7 106.4 3_665 3_665 3_665 no C4 C1 H8 52.6 3_665 3_665 3_665 no C4 C1 H8 75.5 3_665 3_665 3_665 no C4 C1 H10 84.1 3_665 3_665 3_665 no C4 C1 H11 123.2 3_665 3_665 3_665 no C4 C1 H11 60.1 3_665 3_665 3_665 no C4 C1 H16 93.2 3_665 3_665 3_665 no C4 C1 H31 133.6 3_665 3_665 3_665 no C5 C1 C6 84.5(6) . . . ? C5 C1 C7 48.7(6) . . . ? C5 C1 C8 57.9(5) . . . ? C5 C1 C12 57.3(5) . . . ? C5 C1 H1 43.1 . . . no C5 C1 H1 120.3 . . . no C5 C1 H3 56.8 . . . no C5 C1 H4 109.5 . . . no C5 C1 H7 100.7 . . . no C5 C1 H8 61.1 . . . no C5 C1 H8 122.6 . . . no C5 C1 H10 168.4 . . . no C5 C1 H11 60.5 . . . no C5 C1 H11 147.7 . . . no C5 C1 H16 141.0 . . . no C5 C1 H31 113.8 . . . no C6 C1 C7 132.8(9) . . . ? C6 C1 C8 138.2(7) . . . ? C6 C1 C12 132.0(8) . . . ? C6 C1 H1 41.5 . . . no C6 C1 H1 129.9 . . . no C6 C1 H3 75.1 . . . no C6 C1 H4 165.9 . . . no C6 C1 H7 16.4 . . . no C6 C1 H8 127.9 . . . no C6 C1 H8 47.4 . . . no C6 C1 H10 89.9 . . . no C6 C1 H11 118.9 . . . no C6 C1 H11 127.7 . . . no C6 C1 H16 56.7 . . . no C6 C1 H31 52.5 . . . no C7 C1 C8 22.1(5) . . . ? C7 C1 C12 21.3(5) . . . ? C7 C1 H1 91.7 . . . no C7 C1 H1 80.7 . . . no C7 C1 H3 74.1 . . . no C7 C1 H4 61.0 . . . no C7 C1 H7 149.2 . . . no C7 C1 H8 39.8 . . . no C7 C1 H8 159.3 . . . no C7 C1 H10 134.9 . . . no C7 C1 H11 38.9 . . . no C7 C1 H11 99.5 . . . no C7 C1 H16 167.5 . . . no C7 C1 H31 134.5 . . . no C8 C1 C12 41.6(5) . . . ? C8 C1 H1 98.5 . . . no C8 C1 H1 88.0 . . . no C8 C1 H3 95.6 . . . no C8 C1 H4 55.3 . . . no C8 C1 H7 150.9 . . . no C8 C1 H8 18.9 . . . no C8 C1 H8 139.1 . . . no C8 C1 H10 130.3 . . . no C8 C1 H11 60.1 . . . no C8 C1 H11 90.5 . . . no C8 C1 H16 158.6 . . . no C8 C1 H31 156.0 . . . no C12 C1 H1 96.6 . . . no C12 C1 H1 64.8 . . . no C12 C1 H3 60.3 . . . no C12 C1 H4 59.1 . . . no C12 C1 H7 145.9 . . . no C12 C1 H8 60.2 . . . no C12 C1 H8 179.3 . . . no C12 C1 H10 121.6 . . . no C12 C1 H11 18.7 . . . no C12 C1 H11 95.3 . . . no C12 C1 H16 148.1 . . . no C12 C1 H31 114.4 . . . no H1 C1 H1 143.0 . . . no H1 C1 H3 59.4 . . . no H1 C1 H4 152.6 . . . no H1 C1 H7 57.6 . . . no H1 C1 H8 94.5 . . . no H1 C1 H8 83.0 . . . no H1 C1 H10 131.0 . . . no H1 C1 H11 91.8 . . . no H1 C1 H11 168.0 . . . no H1 C1 H16 98.1 . . . no H1 C1 H31 82.8 . . . no H1 C1 H3 83.8 4_565 4_565 4_565 no H1 C1 H4 41.7 4_565 4_565 4_565 no H1 C1 H7 121.0 4_565 4_565 4_565 no H1 C1 H8 101.8 4_565 4_565 4_565 no H1 C1 H8 115.2 4_565 4_565 4_565 no H1 C1 H10 56.9 4_565 4_565 4_565 no H1 C1 H11 60.1 4_565 4_565 4_565 no H1 C1 H11 44.5 4_565 4_565 4_565 no H1 C1 H16 86.8 4_565 4_565 4_565 no H1 C1 H31 77.4 4_565 4_565 4_565 no H3 C1 H4 110.7 3_675 3_675 3_675 no H3 C1 H7 86.1 3_675 3_675 3_675 no H3 C1 H8 109.6 3_675 3_675 3_675 no H3 C1 H8 119.0 3_675 3_675 3_675 no H3 C1 H10 112.0 3_675 3_675 3_675 no H3 C1 H11 44.1 3_675 3_675 3_675 no H3 C1 H11 127.7 3_675 3_675 3_675 no H3 C1 H16 104.4 3_675 3_675 3_675 no H3 C1 H31 64.3 3_675 3_675 3_675 no H4 C1 H7 149.8 4_565 4_565 4_565 no H4 C1 H8 63.4 4_565 4_565 4_565 no H4 C1 H8 121.4 4_565 4_565 4_565 no H4 C1 H10 76.1 4_565 4_565 4_565 no H4 C1 H11 69.1 4_565 4_565 4_565 no H4 C1 H11 38.5 4_565 4_565 4_565 no H4 C1 H16 109.2 4_565 4_565 4_565 no H4 C1 H31 117.4 4_565 4_565 4_565 no H7 C1 H8 136.0 . . . no H7 C1 H8 33.4 . . . no H7 C1 H10 74.3 . . . no H7 C1 H11 129.9 . . . no H7 C1 H11 111.3 . . . no H7 C1 H16 40.7 . . . no H7 C1 H31 46.4 . . . no H8 C1 H8 120.4 . . . no H8 C1 H10 129.6 . . . no H8 C1 H11 78.5 . . . no H8 C1 H11 91.5 . . . no H8 C1 H16 145.6 . . . no H8 C1 H31 173.8 . . . no H8 C1 H10 58.3 3_665 3_665 3_665 no H8 C1 H11 160.6 3_665 3_665 3_665 no H8 C1 H11 85.1 3_665 3_665 3_665 no H8 C1 H16 31.5 3_665 3_665 3_665 no H8 C1 H31 64.9 3_665 3_665 3_665 no H10 C1 H11 114.4 2_645 2_645 2_645 no H10 C1 H11 39.9 2_645 2_645 2_645 no H10 C1 H16 33.7 2_645 2_645 2_645 no H10 C1 H31 55.1 2_645 2_645 2_645 no H11 C1 H11 99.5 . . . no H11 C1 H16 132.6 . . . no H11 C1 H31 95.9 . . . no H11 C1 H16 71.4 2_645 2_645 2_645 no H11 C1 H31 92.2 2_645 2_645 2_645 no H16 C1 H31 40.6 2_645 2_645 2_645 no O1 C2 O1 152.2(6) . . . ? O1 C2 N1 20.2(9) . . . ? O1 C2 N2 40.4(5) . . . ? O1 C2 C1 11.3(6) . . . ? O1 C2 C3 100.0(13) . . . ? O1 C2 C4 68.1(7) . . . ? O1 C2 C5 137.1(12) . . . ? O1 C2 C6 80.5(5) . . . ? O1 C2 C7 49.0(5) . . . ? O1 C2 C8 56.6(4) . . . ? O1 C2 C11 105.4(5) . . . ? O1 C2 C12 60.3(4) . . . ? O1 C2 C12 115.5(5) . . . ? O1 C2 H1 124.6 . . . no O1 C2 H2 114.1 . . . no O1 C2 H3 123.3 . . . no O1 C2 H3 90.5 . . . no O1 C2 H4 162.8 . . . no O1 C2 H5 90.9 . . . no O1 C2 H8 57.6 . . . no O1 C2 H11 63.4 . . . no O1 C2 H11 106.4 . . . no O1 C2 H11 144.8 . . . no O1 C2 N1 171.9(13) 4_465 4_465 4_465 ? O1 C2 N2 112.9(7) 4_465 4_465 4_465 ? O1 C2 C1 141.6(9) 4_465 4_465 4_465 ? O1 C2 C3 53.3(11) 4_465 4_465 4_465 ? O1 C2 C4 85.1(8) 4_465 4_465 4_465 ? O1 C2 C5 69.7(9) 4_465 4_465 4_465 ? O1 C2 C6 72.9(4) 4_465 4_465 4_465 ? O1 C2 C7 157.9(8) 4_465 4_465 4_465 ? O1 C2 C8 143.4(6) 4_465 4_465 4_465 ? O1 C2 C11 70.1(4) 4_465 4_465 4_465 ? O1 C2 C12 146.4(7) 4_465 4_465 4_465 ? O1 C2 C12 52.6(4) 4_465 4_465 4_465 ? O1 C2 H1 28.5 4_465 4_465 4_465 no O1 C2 H2 87.5 4_465 4_465 4_465 no O1 C2 H3 84.0 4_465 4_465 4_465 no O1 C2 H3 94.7 4_465 4_465 4_465 no O1 C2 H4 42.0 4_465 4_465 4_465 no O1 C2 H5 61.4 4_465 4_465 4_465 no O1 C2 H8 133.1 4_465 4_465 4_465 no O1 C2 H11 137.8 4_465 4_465 4_465 no O1 C2 H11 55.0 4_465 4_465 4_465 no O1 C2 H11 42.6 4_465 4_465 4_465 no N1 C2 N2 60.3(10) . . . ? N1 C2 C1 31.2(9) . . . ? N1 C2 C3 120.0(18) . . . ? N1 C2 C4 88.1(12) . . . ? N1 C2 C5 117.2(17) . . . ? N1 C2 C6 100.4(12) . . . ? N1 C2 C7 28.8(9) . . . ? N1 C2 C8 39.8(9) . . . ? N1 C2 C11 106.8(9) . . . ? N1 C2 C12 41.6(9) . . . ? N1 C2 C12 122.7(10) . . . ? N1 C2 H1 144.8 . . . no N1 C2 H2 97.1 . . . no N1 C2 H3 104.1 . . . no N1 C2 H3 88.9 . . . no N1 C2 H4 144.4 . . . no N1 C2 H5 111.2 . . . no N1 C2 H8 46.7 . . . no N1 C2 H11 49.2 . . . no N1 C2 H11 118.5 . . . no N1 C2 H11 143.1 . . . no N2 C2 C1 29.2(5) . . . ? N2 C2 C3 59.7(11) . . . ? N2 C2 C4 27.8(4) . . . ? N2 C2 C5 177.4(14) . . . ? N2 C2 C6 40.2(5) . . . ? N2 C2 C7 89.0(8) . . . ? N2 C2 C8 95.9(7) . . . ? N2 C2 C11 105.8(6) . . . ? N2 C2 C12 95.3(7) . . . ? N2 C2 C12 101.8(6) . . . ? N2 C2 H1 84.5 . . . no N2 C2 H2 149.4 . . . no N2 C2 H3 150.3 . . . no N2 C2 H3 84.6 . . . no N2 C2 H4 154.7 . . . no N2 C2 H5 51.9 . . . no N2 C2 H8 91.5 . . . no N2 C2 H11 89.7 . . . no N2 C2 H11 86.6 . . . no N2 C2 H11 118.4 . . . no C1 C2 C3 88.9(13) . . . ? C1 C2 C4 57.0(7) . . . ? C1 C2 C5 148.3(15) . . . ? C1 C2 C6 69.3(7) . . . ? C1 C2 C7 60.0(8) . . . ? C1 C2 C8 67.7(8) . . . ? C1 C2 C11 107.0(7) . . . ? C1 C2 C12 69.5(7) . . . ? C1 C2 C12 113.3(7) . . . ? C1 C2 H1 113.6 . . . no C1 C2 H2 124.7 . . . no C1 C2 H3 131.9 . . . no C1 C2 H3 88.1 . . . no C1 C2 H4 172.5 . . . no C1 C2 H5 80.2 . . . no C1 C2 H8 67.2 . . . no C1 C2 H11 69.6 . . . no C1 C2 H11 101.9 . . . no C1 C2 H11 138.7 . . . no C3 C2 C4 31.9(10) . . . ? C3 C2 C5 122.8(19) . . . ? C3 C2 C6 19.6(11) . . . ? C3 C2 C7 148.7(16) . . . ? C3 C2 C8 150.0(15) . . . ? C3 C2 C11 88.9(11) . . . ? C3 C2 C12 146.8(13) . . . ? C3 C2 C12 70.4(10) . . . ? C3 C2 H1 24.9 . . . no C3 C2 H2 137.3 . . . no C3 C2 H3 128.7 . . . no C3 C2 H3 85.8 . . . no C3 C2 H4 95.3 . . . no C3 C2 H5 13.1 . . . no C3 C2 H8 135.0 . . . no C3 C2 H11 130.3 . . . no C3 C2 H11 57.7 . . . no C3 C2 H11 71.3 . . . no C4 C2 C5 154.7(15) . . . ? C4 C2 C6 12.4(6) . . . ? C4 C2 C7 116.8(10) . . . ? C4 C2 C8 122.0(9) . . . ? C4 C2 C11 98.9(7) . . . ? C4 C2 C12 120.7(9) . . . ? C4 C2 C12 86.6(7) . . . ? C4 C2 H1 56.7 . . . no C4 C2 H2 157.3 . . . no C4 C2 H3 150.6 . . . no C4 C2 H3 84.6 . . . no C4 C2 H4 127.1 . . . no C4 C2 H5 25.3 . . . no C4 C2 H8 113.3 . . . no C4 C2 H11 110.3 . . . no C4 C2 H11 70.9 . . . no C4 C2 H11 96.9 . . . no C5 C2 C6 142.4(12) . . . ? C5 C2 C7 88.4(11) . . . ? C5 C2 C8 81.8(10) . . . ? C5 C2 C11 75.0(8) . . . ? C5 C2 C12 82.2(10) . . . ? C5 C2 C12 79.9(9) . . . ? C5 C2 H1 98.0 . . . no C5 C2 H2 29.1 . . . no C5 C2 H3 28.3 . . . no C5 C2 H3 95.1 . . . no C5 C2 H4 27.8 . . . no C5 C2 H5 130.6 . . . no C5 C2 H8 86.7 . . . no C5 C2 H11 88.2 . . . no C5 C2 H11 95.1 . . . no C5 C2 H11 63.2 . . . no C6 C2 C7 129.1(8) . . . ? C6 C2 C8 133.8(7) . . . ? C6 C2 C11 96.3(5) . . . ? C6 C2 C12 130.8(6) . . . ? C6 C2 C12 81.0(5) . . . ? C6 C2 H1 44.5 . . . no C6 C2 H2 152.7 . . . no C6 C2 H3 142.8 . . . no C6 C2 H3 83.7 . . . no C6 C2 H4 114.9 . . . no C6 C2 H5 15.6 . . . no C6 C2 H8 123.3 . . . no C6 C2 H11 117.9 . . . no C6 C2 H11 66.0 . . . no C6 C2 H11 86.3 . . . no C7 C2 C8 21.5(5) . . . ? C7 C2 C11 102.5(7) . . . ? C7 C2 C12 22.2(5) . . . ? C7 C2 C12 122.6(7) . . . ? C7 C2 H1 173.5 . . . no C7 C2 H2 71.3 . . . no C7 C2 H3 77.5 . . . no C7 C2 H3 89.7 . . . no C7 C2 H4 116.0 . . . no C7 C2 H5 139.7 . . . no C7 C2 H8 38.5 . . . no C7 C2 H11 39.4 . . . no C7 C2 H11 127.6 . . . no C7 C2 H11 129.5 . . . no C8 C2 C11 81.0(5) . . . ? C8 C2 C12 41.6(5) . . . ? C8 C2 C12 101.1(5) . . . ? C8 C2 H1 160.0 . . . no C8 C2 H2 57.7 . . . no C8 C2 H3 81.2 . . . no C8 C2 H3 110.6 . . . no C8 C2 H4 106.3 . . . no C8 C2 H5 137.1 . . . no C8 C2 H8 18.5 . . . no C8 C2 H11 60.1 . . . no C8 C2 H11 107.6 . . . no C8 C2 H11 138.6 . . . no C11 C2 C12 120.7(6) 4_465 4_465 4_465 ? C11 C2 C12 20.3(2) 4_465 4_465 4_465 ? C11 C2 H1 79.7 4_465 4_465 4_465 no C11 C2 H2 58.5 4_465 4_465 4_465 no C11 C2 H3 102.9 4_465 4_465 4_465 no C11 C2 H3 163.9 4_465 4_465 4_465 no C11 C2 H4 66.9 4_465 4_465 4_465 no C11 C2 H5 82.3 4_465 4_465 4_465 no C11 C2 H8 64.8 4_465 4_465 4_465 no C11 C2 H11 139.5 4_465 4_465 4_465 no C11 C2 H11 31.3 4_465 4_465 4_465 no C11 C2 H11 108.4 4_465 4_465 4_465 no C12 C2 C12 140.7(7) . . . ? C12 C2 H1 158.4 . . . no C12 C2 H2 75.4 . . . no C12 C2 H3 63.0 . . . no C12 C2 H3 69.2 . . . no C12 C2 H4 109.3 . . . no C12 C2 H5 145.9 . . . no C12 C2 H8 59.8 . . . no C12 C2 H11 18.9 . . . no C12 C2 H11 149.1 . . . no C12 C2 H11 108.4 . . . no C12 C2 H1 59.4 4_465 4_465 4_465 no C12 C2 H2 72.0 4_465 4_465 4_465 no C12 C2 H3 107.8 4_465 4_465 4_465 no C12 C2 H3 146.8 4_465 4_465 4_465 no C12 C2 H4 62.6 4_465 4_465 4_465 no C12 C2 H5 65.8 4_465 4_465 4_465 no C12 C2 H8 84.5 4_465 4_465 4_465 no C12 C2 H11 159.2 4_465 4_465 4_465 no C12 C2 H11 15.8 4_465 4_465 4_465 no C12 C2 H11 94.1 4_465 4_465 4_465 no H1 C2 H2 114.7 . . . no H1 C2 H3 108.1 . . . no H1 C2 H3 89.3 . . . no H1 C2 H4 70.5 . . . no H1 C2 H5 34.1 . . . no H1 C2 H8 141.7 . . . no H1 C2 H11 139.9 . . . no H1 C2 H11 52.4 . . . no H1 C2 H11 54.3 . . . no H2 C2 H3 48.8 . . . no H2 C2 H3 117.4 . . . no H2 C2 H4 48.7 . . . no H2 C2 H5 137.2 . . . no H2 C2 H8 58.5 . . . no H2 C2 H11 89.3 . . . no H2 C2 H11 87.3 . . . no H2 C2 H11 92.1 . . . no H3 C2 H3 69.3 . . . no H3 C2 H4 48.6 . . . no H3 C2 H5 141.2 . . . no H3 C2 H8 93.8 . . . no H3 C2 H11 63.1 . . . no H3 C2 H11 122.5 . . . no H3 C2 H11 57.5 . . . no H3 C2 H4 98.4 3_675 3_675 3_675 no H3 C2 H5 95.3 3_675 3_675 3_675 no H3 C2 H8 128.2 3_675 3_675 3_675 no H3 C2 H11 50.6 3_675 3_675 3_675 no H3 C2 H11 141.4 3_675 3_675 3_675 no H3 C2 H11 55.5 3_675 3_675 3_675 no H4 C2 H5 102.8 . . . no H4 C2 H8 105.6 . . . no H4 C2 H11 111.7 . . . no H4 C2 H11 75.3 . . . no H4 C2 H11 48.8 . . . no H5 C2 H8 122.0 . . . no H5 C2 H11 133.5 . . . no H5 C2 H11 51.3 . . . no H5 C2 H11 84.2 . . . no H8 C2 H11 77.9 . . . no H8 C2 H11 89.4 . . . no H8 C2 H11 149.5 . . . no H11 C2 H11 166.7 . . . no H11 C2 H11 95.6 . . . no H11 C2 H11 97.4 4_465 4_465 4_465 no O1 C3 O1 165.0(7) . . . ? O1 C3 O1 67.5(3) . . . ? O1 C3 N1 30.2(5) . . . ? O1 C3 N2 31.1(4) . . . ? O1 C3 C1 1.8(5) . . . ? O1 C3 C1 161.0(6) . . . ? O1 C3 C2 60.5(11) . . . ? O1 C3 C4 56.8(10) . . . ? O1 C3 C5 90.8(6) . . . ? O1 C3 C6 89.5(6) . . . ? O1 C3 C7 40.4(3) . . . ? O1 C3 C12 110.2(5) . . . ? O1 C3 C12 129.6(5) . . . ? O1 C3 H1 172.6 . . . no O1 C3 H2 82.5 . . . no O1 C3 H3 88.5 . . . no O1 C3 H3 80.6 . . . no O1 C3 H4 114.1 . . . no O1 C3 H5 105.2 . . . no O1 C3 H6 100.0 . . . no O1 C3 H7 77.7 . . . no O1 C3 H10 151.2 . . . no O1 C3 H11 107.8 . . . no O1 C3 H11 131.4 . . . no O1 C3 O1 107.4(4) 4_465 4_465 4_465 ? O1 C3 N1 137.1(9) 4_465 4_465 4_465 ? O1 C3 N2 161.0(9) 4_465 4_465 4_465 ? O1 C3 C1 166.7(9) 4_465 4_465 4_465 ? O1 C3 C1 15.8(3) 4_465 4_465 4_465 ? O1 C3 C2 106.9(14) 4_465 4_465 4_465 ? O1 C3 C4 135.6(14) 4_465 4_465 4_465 ? O1 C3 C5 76.7(6) 4_465 4_465 4_465 ? O1 C3 C6 103.3(6) 4_465 4_465 4_465 ? O1 C3 C7 127.1(7) 4_465 4_465 4_465 ? O1 C3 C12 59.2(4) 4_465 4_465 4_465 ? O1 C3 C12 55.5(4) 4_465 4_465 4_465 ? O1 C3 H1 16.7 4_465 4_465 4_465 no O1 C3 H2 83.3 4_465 4_465 4_465 no O1 C3 H3 82.0 4_465 4_465 4_465 no O1 C3 H3 103.7 4_465 4_465 4_465 no O1 C3 H4 52.8 4_465 4_465 4_465 no O1 C3 H5 84.8 4_465 4_465 4_465 no O1 C3 H6 94.7 4_465 4_465 4_465 no O1 C3 H7 114.6 4_465 4_465 4_465 no O1 C3 H10 42.0 4_465 4_465 4_465 no O1 C3 H11 65.4 4_465 4_465 4_465 no O1 C3 H11 49.0 4_465 4_465 4_465 no O1 C3 N1 80.6(5) 3_665 3_665 3_665 ? O1 C3 N2 65.4(5) 3_665 3_665 3_665 ? O1 C3 C1 68.5(5) 3_665 3_665 3_665 ? O1 C3 C1 94.4(4) 3_665 3_665 3_665 ? O1 C3 C2 93.2(11) 3_665 3_665 3_665 ? O1 C3 C4 66.5(10) 3_665 3_665 3_665 ? O1 C3 C5 105.2(6) 3_665 3_665 3_665 ? O1 C3 C6 76.6(6) 3_665 3_665 3_665 ? O1 C3 C7 85.9(5) 3_665 3_665 3_665 ? O1 C3 C12 52.0(4) 3_665 3_665 3_665 ? O1 C3 C12 162.8(5) 3_665 3_665 3_665 ? O1 C3 H1 105.4 3_665 3_665 3_665 no O1 C3 H2 89.1 3_665 3_665 3_665 no O1 C3 H3 120.0 3_665 3_665 3_665 no O1 C3 H3 148.1 3_665 3_665 3_665 no O1 C3 H4 108.3 3_665 3_665 3_665 no O1 C3 H5 68.0 3_665 3_665 3_665 no O1 C3 H6 98.9 3_665 3_665 3_665 no O1 C3 H7 69.8 3_665 3_665 3_665 no O1 C3 H10 132.9 3_665 3_665 3_665 no O1 C3 H11 42.1 3_665 3_665 3_665 no O1 C3 H11 153.4 3_665 3_665 3_665 no N1 C3 N2 61.0(5) . . . ? N1 C3 C1 31.2(4) . . . ? N1 C3 C1 145.6(10) . . . ? N1 C3 C2 30.4(10) . . . ? N1 C3 C4 86.8(11) . . . ? N1 C3 C5 60.8(7) . . . ? N1 C3 C6 119.5(9) . . . ? N1 C3 C7 10.3(5) . . . ? N1 C3 C12 102.9(7) . . . ? N1 C3 C12 113.2(8) . . . ? N1 C3 H1 153.8 . . . no N1 C3 H2 54.3 . . . no N1 C3 H3 59.1 . . . no N1 C3 H3 71.8 . . . no N1 C3 H4 84.4 . . . no N1 C3 H5 134.7 . . . no N1 C3 H6 126.3 . . . no N1 C3 H7 107.7 . . . no N1 C3 H10 146.3 . . . no N1 C3 H11 109.7 . . . no N1 C3 H11 108.3 . . . no N2 C3 C1 29.8(4) . . . ? N2 C3 C1 146.4(8) . . . ? N2 C3 C2 91.4(12) . . . ? N2 C3 C4 25.8(9) . . . ? N2 C3 C5 121.7(8) . . . ? N2 C3 C6 58.5(7) . . . ? N2 C3 C7 71.2(5) . . . ? N2 C3 C12 117.3(7) . . . ? N2 C3 C12 129.6(6) . . . ? N2 C3 H1 145.0 . . . no N2 C3 H2 113.2 . . . no N2 C3 H3 117.0 . . . no N2 C3 H3 86.9 . . . no N2 C3 H4 145.2 . . . no N2 C3 H5 76.2 . . . no N2 C3 H6 70.2 . . . no N2 C3 H7 46.8 . . . no N2 C3 H10 129.2 . . . no N2 C3 H11 106.0 . . . no N2 C3 H11 141.0 . . . no C1 C3 C1 162.4(7) . . . ? C1 C3 C2 61.6(11) . . . ? C1 C3 C4 55.6(10) . . . ? C1 C3 C5 91.9(8) . . . ? C1 C3 C6 88.3(9) . . . ? C1 C3 C7 41.5(6) . . . ? C1 C3 C12 111.8(7) . . . ? C1 C3 C12 128.6(7) . . . ? C1 C3 H1 173.0 . . . no C1 C3 H2 83.9 . . . no C1 C3 H3 89.2 . . . no C1 C3 H3 79.5 . . . no C1 C3 H4 115.4 . . . no C1 C3 H5 104.5 . . . no C1 C3 H6 98.4 . . . no C1 C3 H7 76.5 . . . no C1 C3 H10 149.4 . . . no C1 C3 H11 109.1 . . . no C1 C3 H11 131.0 . . . no C1 C3 C2 117.5(14) 4_465 4_465 4_465 ? C1 C3 C4 122.6(13) 4_465 4_465 4_465 ? C1 C3 C5 88.4(6) 4_465 4_465 4_465 ? C1 C3 C6 91.8(6) 4_465 4_465 4_465 ? C1 C3 C7 136.9(7) 4_465 4_465 4_465 ? C1 C3 C12 51.3(5) 4_465 4_465 4_465 ? C1 C3 C12 68.3(5) 4_465 4_465 4_465 ? C1 C3 H1 13.6 4_465 4_465 4_465 no C1 C3 H2 91.9 4_465 4_465 4_465 no C1 C3 H3 96.2 4_465 4_465 4_465 no C1 C3 H3 117.4 4_465 4_465 4_465 no C1 C3 H4 64.7 4_465 4_465 4_465 no C1 C3 H5 71.2 4_465 4_465 4_465 no C1 C3 H6 88.1 4_465 4_465 4_465 no C1 C3 H7 102.2 4_465 4_465 4_465 no C1 C3 H10 47.0 4_465 4_465 4_465 no C1 C3 H11 53.3 4_465 4_465 4_465 no C1 C3 H11 63.8 4_465 4_465 4_465 no C2 C3 C4 117.2(17) . . . ? C2 C3 C5 30.3(11) . . . ? C2 C3 C6 149.9(15) . . . ? C2 C3 C7 20.3(11) . . . ? C2 C3 C12 89.5(11) . . . ? C2 C3 C12 94.6(13) . . . ? C2 C3 H1 123.5 . . . no C2 C3 H2 26.4 . . . no C2 C3 H3 31.8 . . . no C2 C3 H3 71.0 . . . no C2 C3 H4 54.1 . . . no C2 C3 H5 160.4 . . . no C2 C3 H6 150.8 . . . no C2 C3 H7 138.2 . . . no C2 C3 H10 125.7 . . . no C2 C3 H11 103.1 . . . no C2 C3 H11 84.7 . . . no C4 C3 C5 147.5(14) . . . ? C4 C3 C6 32.7(10) . . . ? C4 C3 C7 97.0(11) . . . ? C4 C3 C12 114.1(11) . . . ? C4 C3 C12 122.4(12) . . . ? C4 C3 H1 119.2 . . . no C4 C3 H2 137.7 . . . no C4 C3 H3 140.8 . . . no C4 C3 H3 95.6 . . . no C4 C3 H4 170.4 . . . no C4 C3 H5 51.4 . . . no C4 C3 H6 47.1 . . . no C4 C3 H7 21.0 . . . no C4 C3 H10 108.1 . . . no C4 C3 H11 98.2 . . . no C4 C3 H11 137.3 . . . no C5 C3 C6 178.2(9) . . . ? C5 C3 C7 50.6(5) . . . ? C5 C3 C12 76.3(5) . . . ? C5 C3 C12 75.1(6) . . . ? C5 C3 H1 93.2 . . . no C5 C3 H2 16.2 . . . no C5 C3 H3 17.6 . . . no C5 C3 H3 75.3 . . . no C5 C3 H4 23.9 . . . no C5 C3 H5 157.3 . . . no C5 C3 H6 155.9 . . . no C5 C3 H7 168.4 . . . no C5 C3 H10 100.1 . . . no C5 C3 H11 93.3 . . . no C5 C3 H11 61.7 . . . no C6 C3 C7 129.6(7) . . . ? C6 C3 C12 105.2(6) . . . ? C6 C3 C12 103.3(7) . . . ? C6 C3 H1 86.7 . . . no C6 C3 H2 165.5 . . . no C6 C3 H3 160.7 . . . no C6 C3 H3 103.0 . . . no C6 C3 H4 156.1 . . . no C6 C3 H5 23.7 . . . no C6 C3 H6 22.4 . . . no C6 C3 H7 12.2 . . . no C6 C3 H10 78.8 . . . no C6 C3 H11 88.3 . . . no C6 C3 H11 116.9 . . . no C7 C3 C12 99.7(5) . . . ? C7 C3 C12 106.3(5) . . . ? C7 C3 H1 143.7 . . . no C7 C3 H2 45.1 . . . no C7 C3 H3 49.2 . . . no C7 C3 H3 69.6 . . . no C7 C3 H4 74.3 . . . no C7 C3 H5 144.6 . . . no C7 C3 H6 134.5 . . . no C7 C3 H7 118.0 . . . no C7 C3 H10 139.5 . . . no C7 C3 H11 109.3 . . . no C7 C3 H11 99.6 . . . no C12 C3 C12 112.7(5) 4_465 4_465 4_465 ? C12 C3 H1 64.9 4_465 4_465 4_465 no C12 C3 H2 66.7 4_465 4_465 4_465 no C12 C3 H3 93.5 4_465 4_465 4_465 no C12 C3 H3 149.7 4_465 4_465 4_465 no C12 C3 H4 64.6 4_465 4_465 4_465 no C12 C3 H5 83.1 4_465 4_465 4_465 no C12 C3 H6 118.8 4_465 4_465 4_465 no C12 C3 H7 106.6 4_465 4_465 4_465 no C12 C3 H10 98.3 4_465 4_465 4_465 no C12 C3 H11 17.2 4_465 4_465 4_465 no C12 C3 H11 101.5 4_465 4_465 4_465 no C12 C3 H1 57.6 3_675 3_675 3_675 no C12 C3 H2 91.1 3_675 3_675 3_675 no C12 C3 H3 64.0 3_675 3_675 3_675 no C12 C3 H3 49.1 3_675 3_675 3_675 no C12 C3 H4 65.0 3_675 3_675 3_675 no C12 C3 H5 105.0 3_675 3_675 3_675 no C12 C3 H6 81.4 3_675 3_675 3_675 no C12 C3 H7 112.9 3_675 3_675 3_675 no C12 C3 H10 33.3 3_675 3_675 3_675 no C12 C3 H11 120.9 3_675 3_675 3_675 no C12 C3 H11 15.0 3_675 3_675 3_675 no H1 C3 H2 99.9 . . . no H1 C3 H3 97.1 . . . no H1 C3 H3 106.4 . . . no H1 C3 H4 69.4 . . . no H1 C3 H5 69.3 . . . no H1 C3 H6 78.6 . . . no H1 C3 H7 98.2 . . . no H1 C3 H10 33.5 . . . no H1 C3 H11 65.8 . . . no H1 C3 H11 55.9 . . . no H2 C3 H3 31.8 . . . no H2 C3 H3 87.7 . . . no H2 C3 H4 32.7 . . . no H2 C3 H5 149.5 . . . no H2 C3 H6 172.0 . . . no H2 C3 H7 155.2 . . . no H2 C3 H10 113.7 . . . no H2 C3 H11 82.7 . . . no H2 C3 H11 77.3 . . . no H3 C3 H3 57.8 . . . no H3 C3 H4 33.9 . . . no H3 C3 H5 166.2 . . . no H3 C3 H6 140.3 . . . no H3 C3 H7 158.5 . . . no H3 C3 H10 93.9 . . . no H3 C3 H11 110.6 . . . no H3 C3 H11 53.0 . . . no H3 C3 H4 85.2 3_675 3_675 3_675 no H3 C3 H5 122.4 3_675 3_675 3_675 no H3 C3 H6 85.2 3_675 3_675 3_675 no H3 C3 H7 103.3 3_675 3_675 3_675 no H3 C3 H10 76.6 3_675 3_675 3_675 no H3 C3 H11 166.2 3_675 3_675 3_675 no H3 C3 H11 55.2 3_675 3_675 3_675 no H4 C3 H5 135.4 . . . no H4 C3 H6 142.4 . . . no H4 C3 H7 166.8 . . . no H4 C3 H10 81.4 . . . no H4 C3 H11 81.4 . . . no H4 C3 H11 50.0 . . . no H5 C3 H6 37.2 . . . no H5 C3 H7 31.5 . . . no H5 C3 H10 73.4 . . . no H5 C3 H11 66.9 . . . no H5 C3 H11 114.5 . . . no H6 C3 H7 31.6 . . . no H6 C3 H10 61.0 . . . no H6 C3 H11 103.6 . . . no H6 C3 H11 95.6 . . . no H7 C3 H10 90.6 . . . no H7 C3 H11 89.5 . . . no H7 C3 H11 127.2 . . . no H10 C3 H11 98.2 3_675 3_675 3_675 no H10 C3 H11 41.1 3_675 3_675 3_675 no H11 C3 H11 112.7 4_465 4_465 4_465 no O1 C4 O1 77.5(4) . . . ? O1 C4 N1 41.5(5) . . . ? O1 C4 N2 23.6(9) . . . ? O1 C4 C1 9.5(7) . . . ? O1 C4 C1 60.8(4) . . . ? O1 C4 C2 72.5(7) . . . ? O1 C4 C3 103.4(12) . . . ? O1 C4 C5 82.4(5) . . . ? O1 C4 C6 139.3(13) . . . ? O1 C4 H1 129.3 . . . no O1 C4 H3 83.0 . . . no O1 C4 H5 149.3 . . . no O1 C4 H6 141.5 . . . no O1 C4 H7 111.0 . . . no O1 C4 H8 77.8 . . . no O1 C4 H11 110.2 . . . no O1 C4 H16 65.1 . . . no O1 C4 H30 100.6 . . . no O1 C4 H31 76.8 . . . no O1 C4 N1 83.2(5) 3_665 3_665 3_665 ? O1 C4 N2 82.2(10) 3_665 3_665 3_665 ? O1 C4 C1 79.2(7) 3_665 3_665 3_665 ? O1 C4 C1 17.6(2) 3_665 3_665 3_665 ? O1 C4 C2 87.2(6) 3_665 3_665 3_665 ? O1 C4 C3 92.0(11) 3_665 3_665 3_665 ? O1 C4 C5 88.8(5) 3_665 3_665 3_665 ? O1 C4 C6 99.8(10) 3_665 3_665 3_665 ? O1 C4 H1 94.1 3_665 3_665 3_665 no O1 C4 H3 143.8 3_665 3_665 3_665 no O1 C4 H5 79.7 3_665 3_665 3_665 no O1 C4 H6 127.2 3_665 3_665 3_665 no O1 C4 H7 91.0 3_665 3_665 3_665 no O1 C4 H8 58.9 3_665 3_665 3_665 no O1 C4 H11 41.1 3_665 3_665 3_665 no O1 C4 H16 89.0 3_665 3_665 3_665 no O1 C4 H30 172.4 3_665 3_665 3_665 no O1 C4 H31 132.4 3_665 3_665 3_665 no N1 C4 N2 64.7(10) . . . ? N1 C4 C1 32.0(5) . . . ? N1 C4 C1 74.6(6) . . . ? N1 C4 C2 31.1(4) . . . ? N1 C4 C3 62.0(10) . . . ? N1 C4 C5 41.0(5) . . . ? N1 C4 C6 177.0(13) . . . ? N1 C4 H1 88.1 . . . no N1 C4 H3 62.4 . . . no N1 C4 H5 152.9 . . . no N1 C4 H6 148.6 . . . no N1 C4 H7 152.5 . . . no N1 C4 H8 115.1 . . . no N1 C4 H11 91.8 . . . no N1 C4 H16 106.2 . . . no N1 C4 H30 100.4 . . . no N1 C4 H31 102.3 . . . no N2 C4 C1 32.8(10) . . . ? N2 C4 C1 64.6(9) . . . ? N2 C4 C2 95.8(12) . . . ? N2 C4 C3 126.7(18) . . . ? N2 C4 C5 105.7(12) . . . ? N2 C4 C6 115.8(18) . . . ? N2 C4 H1 152.8 . . . no N2 C4 H3 92.0 . . . no N2 C4 H5 132.3 . . . no N2 C4 H6 121.1 . . . no N2 C4 H7 87.9 . . . no N2 C4 H8 60.0 . . . no N2 C4 H11 121.9 . . . no N2 C4 H16 41.6 . . . no N2 C4 H30 93.2 . . . no N2 C4 H31 59.6 . . . no C1 C4 C1 63.7(8) . . . ? C1 C4 C2 63.1(8) . . . ? C1 C4 C3 94.0(13) . . . ? C1 C4 C5 73.0(8) . . . ? C1 C4 C6 148.7(17) . . . ? C1 C4 H1 120.0 . . . no C1 C4 H3 77.0 . . . no C1 C4 H5 156.1 . . . no C1 C4 H6 146.2 . . . no C1 C4 H7 120.4 . . . no C1 C4 H8 86.7 . . . no C1 C4 H11 107.3 . . . no C1 C4 H16 74.4 . . . no C1 C4 H30 100.2 . . . no C1 C4 H31 81.9 . . . no C1 C4 C2 87.5(8) 3_665 3_665 3_665 ? C1 C4 C3 101.0(12) 3_665 3_665 3_665 ? C1 C4 C5 91.9(6) 3_665 3_665 3_665 ? C1 C4 C6 108.3(11) 3_665 3_665 3_665 ? C1 C4 H1 108.8 3_665 3_665 3_665 no C1 C4 H3 136.8 3_665 3_665 3_665 no C1 C4 H5 93.6 3_665 3_665 3_665 no C1 C4 H6 136.8 3_665 3_665 3_665 no C1 C4 H7 92.0 3_665 3_665 3_665 no C1 C4 H8 53.1 3_665 3_665 3_665 no C1 C4 H11 57.9 3_665 3_665 3_665 no C1 C4 H16 77.1 3_665 3_665 3_665 no C1 C4 H30 157.5 3_665 3_665 3_665 no C1 C4 H31 118.3 3_665 3_665 3_665 no C2 C4 C3 30.9(9) . . . ? C2 C4 C5 9.9(6) . . . ? C2 C4 C6 148.1(16) . . . ? C2 C4 H1 57.0 . . . no C2 C4 H3 57.7 . . . no C2 C4 H5 126.6 . . . no C2 C4 H6 129.9 . . . no C2 C4 H7 175.6 . . . no C2 C4 H8 139.0 . . . no C2 C4 H11 74.7 . . . no C2 C4 H16 137.3 . . . no C2 C4 H30 99.3 . . . no C2 C4 H31 121.4 . . . no C3 C4 C5 21.0(9) . . . ? C3 C4 C6 117.3(18) . . . ? C3 C4 H1 26.2 . . . no C3 C4 H3 63.1 . . . no C3 C4 H5 97.7 . . . no C3 C4 H6 104.4 . . . no C3 C4 H7 145.4 . . . no C3 C4 H8 150.3 . . . no C3 C4 H11 61.2 . . . no C3 C4 H16 167.9 . . . no C3 C4 H30 95.6 . . . no C3 C4 H31 132.6 . . . no C5 C4 C6 138.3(13) . . . ? C5 C4 H1 47.2 . . . no C5 C4 H3 58.3 . . . no C5 C4 H5 117.5 . . . no C5 C4 H6 122.1 . . . no C5 C4 H7 166.3 . . . no C5 C4 H8 144.9 . . . no C5 C4 H11 69.9 . . . no C5 C4 H16 147.1 . . . no C5 C4 H30 98.3 . . . no C5 C4 H31 126.1 . . . no C6 C4 H1 91.3 . . . no C6 C4 H3 114.7 . . . no C6 C4 H5 28.8 . . . no C6 C4 H6 28.5 . . . no C6 C4 H7 28.5 . . . no C6 C4 H8 67.0 . . . no C6 C4 H11 90.2 . . . no C6 C4 H16 74.3 . . . no C6 C4 H30 76.8 . . . no C6 C4 H31 76.0 . . . no H1 C4 H3 75.1 . . . no H1 C4 H5 72.5 . . . no H1 C4 H6 82.5 . . . no H1 C4 H7 119.2 . . . no H1 C4 H8 139.2 . . . no H1 C4 H11 54.3 . . . no H1 C4 H16 165.6 . . . no H1 C4 H30 92.8 . . . no H1 C4 H31 132.9 . . . no H3 C4 H5 126.9 3_675 3_675 3_675 no H3 C4 H6 86.3 3_675 3_675 3_675 no H3 C4 H7 124.6 3_675 3_675 3_675 no H3 C4 H8 144.7 3_675 3_675 3_675 no H3 C4 H11 124.3 3_675 3_675 3_675 no H3 C4 H16 110.0 3_675 3_675 3_675 no H3 C4 H30 41.9 3_675 3_675 3_675 no H3 C4 H31 70.1 3_675 3_675 3_675 no H5 C4 H6 48.9 . . . no H5 C4 H7 49.1 . . . no H5 C4 H8 72.9 . . . no H5 C4 H11 61.6 . . . no H5 C4 H16 94.3 . . . no H5 C4 H30 99.3 . . . no H5 C4 H31 104.7 . . . no H6 C4 H7 48.9 . . . no H6 C4 H8 90.7 . . . no H6 C4 H11 106.4 . . . no H6 C4 H16 84.4 . . . no H6 C4 H30 50.6 . . . no H6 C4 H31 64.8 . . . no H7 C4 H8 41.8 . . . no H7 C4 H11 101.3 . . . no H7 C4 H16 46.6 . . . no H7 C4 H30 82.8 . . . no H7 C4 H31 62.6 . . . no H8 C4 H11 90.2 3_665 3_665 3_665 no H8 C4 H16 34.8 3_665 3_665 3_665 no H8 C4 H30 113.6 3_665 3_665 3_665 no H8 C4 H31 76.9 3_665 3_665 3_665 no H11 C4 H16 124.8 4_465 4_465 4_465 no H11 C4 H30 144.6 4_465 4_465 4_465 no H11 C4 H31 163.9 4_465 4_465 4_465 no H16 C4 H30 83.5 2_645 2_645 2_645 no H16 C4 H31 43.8 2_645 2_645 2_645 no H30 C4 H31 40.4 2_645 2_645 2_645 no O1 C5 N1 116.8(7) 4_465 4_465 4_465 ? O1 C5 C1 106.4(5) 4_465 4_465 4_465 ? O1 C5 C2 87.0(10) 4_465 4_465 4_465 ? O1 C5 C3 60.3(4) 4_465 4_465 4_465 ? O1 C5 C4 71.7(4) 4_465 4_465 4_465 ? O1 C5 C7 146.4(7) 4_465 4_465 4_465 ? O1 C5 C8 149.2(6) 4_465 4_465 4_465 ? O1 C5 C9 69.9(4) 4_465 4_465 4_465 ? O1 C5 C10 81.4(4) 4_465 4_465 4_465 ? O1 C5 C11 73.7(4) 4_465 4_465 4_465 ? O1 C5 C12 152.1(6) 4_465 4_465 4_465 ? O1 C5 C12 53.9(4) 4_465 4_465 4_465 ? O1 C5 C12 51.4(3) 4_465 4_465 4_465 ? O1 C5 C34 116.5(5) 4_465 4_465 4_465 ? O1 C5 H1 37.6 4_465 4_465 4_465 no O1 C5 H2 123.8 4_465 4_465 4_465 no O1 C5 H3 116.1 4_465 4_465 4_465 no O1 C5 H3 91.3 4_465 4_465 4_465 no O1 C5 H4 24.6 4_465 4_465 4_465 no O1 C5 H5 63.2 4_465 4_465 4_465 no O1 C5 H8 132.9 4_465 4_465 4_465 no O1 C5 H11 135.9 4_465 4_465 4_465 no O1 C5 H11 46.2 4_465 4_465 4_465 no O1 C5 H30 128.1 4_465 4_465 4_465 no N1 C5 C1 10.4(5) . . . ? N1 C5 C2 29.9(8) . . . ? N1 C5 C3 56.7(7) . . . ? N1 C5 C4 45.3(5) . . . ? N1 C5 C7 29.6(3) . . . ? N1 C5 C8 44.7(4) . . . ? N1 C5 C9 123.2(6) . . . ? N1 C5 C10 103.1(6) . . . ? N1 C5 C11 89.2(6) . . . ? N1 C5 C12 45.2(4) . . . ? N1 C5 C12 94.3(6) . . . ? N1 C5 C12 105.1(6) . . . ? N1 C5 C34 126.5(6) . . . ? N1 C5 H1 79.5 . . . no N1 C5 H2 88.7 . . . no N1 C5 H3 97.0 . . . no N1 C5 H3 65.7 . . . no N1 C5 H4 140.4 . . . no N1 C5 H5 173.4 . . . no N1 C5 H8 46.7 . . . no N1 C5 H11 47.1 . . . no N1 C5 H11 111.5 . . . no N1 C5 H30 114.8 . . . no C1 C5 C2 19.6(9) . . . ? C1 C5 C3 46.4(5) . . . ? C1 C5 C4 35.0(4) . . . ? C1 C5 C7 40.0(5) . . . ? C1 C5 C8 53.7(5) . . . ? C1 C5 C9 121.1(5) . . . ? C1 C5 C10 102.1(5) . . . ? C1 C5 C11 85.8(5) . . . ? C1 C5 C12 54.7(5) . . . ? C1 C5 C12 87.7(5) . . . ? C1 C5 C12 98.9(5) . . . ? C1 C5 C34 136.8(5) . . . ? C1 C5 H1 69.1 . . . no C1 C5 H2 95.0 . . . no C1 C5 H3 102.9 . . . no C1 C5 H3 64.2 . . . no C1 C5 H4 130.1 . . . no C1 C5 H5 167.7 . . . no C1 C5 H8 53.0 . . . no C1 C5 H11 54.2 . . . no C1 C5 H11 104.8 . . . no C1 C5 H30 125.2 . . . no C2 C5 C3 26.8(9) . . . ? C2 C5 C4 15.4(9) . . . ? C2 C5 C7 59.4(9) . . . ? C2 C5 C8 72.5(10) . . . ? C2 C5 C9 117.2(9) . . . ? C2 C5 C10 102.3(9) . . . ? C2 C5 C11 82.6(9) . . . ? C2 C5 C12 71.9(9) . . . ? C2 C5 C12 78.0(9) . . . ? C2 C5 C12 84.7(10) . . . ? C2 C5 C34 156.4(11) . . . ? C2 C5 H1 49.6 . . . no C2 C5 H2 108.7 . . . no C2 C5 H3 110.2 . . . no C2 C5 H3 60.8 . . . no C2 C5 H4 111.1 . . . no C2 C5 H5 148.8 . . . no C2 C5 H8 68.8 . . . no C2 C5 H11 67.2 . . . no C2 C5 H11 89.6 . . . no C2 C5 H30 143.9 . . . no C3 C5 C4 11.4(5) . . . ? C3 C5 C7 86.3(7) . . . ? C3 C5 C8 98.0(7) . . . ? C3 C5 C9 105.9(6) . . . ? C3 C5 C10 98.9(6) . . . ? C3 C5 C11 78.3(6) . . . ? C3 C5 C12 96.7(6) . . . ? C3 C5 C12 65.4(5) . . . ? C3 C5 C12 67.0(5) . . . ? C3 C5 C34 176.8(7) . . . ? C3 C5 H1 22.8 . . . no C3 C5 H2 123.9 . . . no C3 C5 H3 117.8 . . . no C3 C5 H3 63.5 . . . no C3 C5 H4 84.6 . . . no C3 C5 H5 122.3 . . . no C3 C5 H8 90.9 . . . no C3 C5 H11 88.1 . . . no C3 C5 H11 69.8 . . . no C3 C5 H30 167.2 . . . no C4 C5 C7 74.8(6) . . . ? C4 C5 C8 87.1(5) . . . ? C4 C5 C9 111.3(5) . . . ? C4 C5 C10 100.7(5) . . . ? C4 C5 C11 79.9(5) . . . ? C4 C5 C12 86.1(5) . . . ? C4 C5 C12 70.4(4) . . . ? C4 C5 C12 74.3(5) . . . ? C4 C5 C34 171.8(5) . . . ? C4 C5 H1 34.2 . . . no C4 C5 H2 118.0 . . . no C4 C5 H3 115.2 . . . no C4 C5 H3 61.5 . . . no C4 C5 H4 95.9 . . . no C4 C5 H5 133.6 . . . no C4 C5 H8 81.4 . . . no C4 C5 H11 79.0 . . . no C4 C5 H11 78.0 . . . no C4 C5 H30 158.2 . . . no C7 C5 C8 22.8(4) . . . ? C7 C5 C9 121.1(7) . . . ? C7 C5 C10 102.0(6) . . . ? C7 C5 C11 97.6(6) . . . ? C7 C5 C12 23.1(4) . . . ? C7 C5 C12 111.0(6) . . . ? C7 C5 C12 121.3(6) . . . ? C7 C5 C34 97.0(6) . . . ? C7 C5 H1 109.0 . . . no C7 C5 H2 70.5 . . . no C7 C5 H3 81.2 . . . no C7 C5 H3 75.3 . . . no C7 C5 H4 168.1 . . . no C7 C5 H5 150.1 . . . no C7 C5 H8 35.7 . . . no C7 C5 H11 35.9 . . . no C7 C5 H11 128.4 . . . no C7 C5 H30 85.5 . . . no C8 C5 C9 98.9(5) . . . ? C8 C5 C10 80.9(5) . . . ? C8 C5 C11 80.9(4) . . . ? C8 C5 C12 39.9(4) . . . ? C8 C5 C12 98.4(5) . . . ? C8 C5 C12 144.1(5) . . . ? C8 C5 C34 85.0(5) . . . ? C8 C5 H1 119.1 . . . no C8 C5 H2 47.9 . . . no C8 C5 H3 92.9 . . . no C8 C5 H3 98.1 . . . no C8 C5 H4 152.9 . . . no C8 C5 H5 138.5 . . . no C8 C5 H8 17.3 . . . no C8 C5 H11 56.2 . . . no C8 C5 H11 151.2 . . . no C8 C5 H30 77.7 . . . no C9 C5 C10 20.5(3) 4_465 4_465 4_465 ? C9 C5 C11 35.6(4) 4_465 4_465 4_465 ? C9 C5 C12 136.0(5) 4_465 4_465 4_465 ? C9 C5 C12 40.9(3) 4_465 4_465 4_465 ? C9 C5 C12 116.3(5) 4_465 4_465 4_465 ? C9 C5 C34 72.4(4) 4_465 4_465 4_465 ? C9 C5 H1 92.9 4_465 4_465 4_465 no C9 C5 H2 54.7 4_465 4_465 4_465 no C9 C5 H3 132.5 4_465 4_465 4_465 no C9 C5 H3 161.2 4_465 4_465 4_465 no C9 C5 H4 54.9 4_465 4_465 4_465 no C9 C5 H5 63.3 4_465 4_465 4_465 no C9 C5 H8 85.7 4_465 4_465 4_465 no C9 C5 H11 153.5 4_465 4_465 4_465 no C9 C5 H11 109.4 4_465 4_465 4_465 no C9 C5 H30 86.7 4_465 4_465 4_465 no C10 C5 C11 20.8(3) 4_465 4_465 4_465 ? C10 C5 C12 120.3(5) 4_465 4_465 4_465 ? C10 C5 C12 36.0(3) 4_465 4_465 4_465 ? C10 C5 C12 132.0(4) 4_465 4_465 4_465 ? C10 C5 C34 80.4(5) 4_465 4_465 4_465 ? C10 C5 H1 93.2 4_465 4_465 4_465 no C10 C5 H2 43.0 4_465 4_465 4_465 no C10 C5 H3 143.3 4_465 4_465 4_465 no C10 C5 H3 162.1 4_465 4_465 4_465 no C10 C5 H4 72.1 4_465 4_465 4_465 no C10 C5 H5 83.5 4_465 4_465 4_465 no C10 C5 H8 66.2 4_465 4_465 4_465 no C10 C5 H11 137.1 4_465 4_465 4_465 no C10 C5 H11 125.8 4_465 4_465 4_465 no C10 C5 H30 92.3 4_465 4_465 4_465 no C11 C5 C12 119.8(5) 4_465 4_465 4_465 ? C11 C5 C12 20.4(2) 4_465 4_465 4_465 ? C11 C5 C12 124.0(4) 4_465 4_465 4_465 ? C11 C5 C34 101.1(5) 4_465 4_465 4_465 ? C11 C5 H1 75.3 4_465 4_465 4_465 no C11 C5 H2 56.5 4_465 4_465 4_465 no C11 C5 H3 163.5 4_465 4_465 4_465 no C11 C5 H3 141.4 4_465 4_465 4_465 no C11 C5 H4 73.2 4_465 4_465 4_465 no C11 C5 H5 96.9 4_465 4_465 4_465 no C11 C5 H8 63.9 4_465 4_465 4_465 no C11 C5 H11 132.7 4_465 4_465 4_465 no C11 C5 H11 119.7 4_465 4_465 4_465 no C11 C5 H30 112.4 4_465 4_465 4_465 no C12 C5 C12 134.1(5) . . . ? C12 C5 C12 107.1(4) . . . ? C12 C5 C34 86.3(5) . . . ? C12 C5 H1 118.1 . . . no C12 C5 H2 81.3 . . . no C12 C5 H3 58.1 . . . no C12 C5 H3 62.6 . . . no C12 C5 H4 167.0 . . . no C12 C5 H5 131.6 . . . no C12 C5 H8 56.2 . . . no C12 C5 H11 17.5 . . . no C12 C5 H11 113.7 . . . no C12 C5 H30 72.2 . . . no C12 C5 C12 103.6(3) 4_465 4_465 4_465 ? C12 C5 C34 113.1(5) 4_465 4_465 4_465 ? C12 C5 H1 57.2 4_465 4_465 4_465 no C12 C5 H2 76.4 4_465 4_465 4_465 no C12 C5 H3 167.8 4_465 4_465 4_465 no C12 C5 H3 127.9 4_465 4_465 4_465 no C12 C5 H4 58.0 4_465 4_465 4_465 no C12 C5 H5 90.8 4_465 4_465 4_465 no C12 C5 H8 81.1 4_465 4_465 4_465 no C12 C5 H11 141.4 4_465 4_465 4_465 no C12 C5 H11 99.6 4_465 4_465 4_465 no C12 C5 H30 126.9 4_465 4_465 4_465 no C12 C5 C34 111.1(6) 3_675 3_675 3_675 ? C12 C5 H1 55.7 3_675 3_675 3_675 no C12 C5 H2 166.1 3_675 3_675 3_675 no C12 C5 H3 69.0 3_675 3_675 3_675 no C12 C5 H3 46.1 3_675 3_675 3_675 no C12 C5 H4 61.4 3_675 3_675 3_675 no C12 C5 H5 69.6 3_675 3_675 3_675 no C12 C5 H8 151.7 3_675 3_675 3_675 no C12 C5 H11 89.7 3_675 3_675 3_675 no C12 C5 H11 7.1 3_675 3_675 3_675 no C12 C5 H30 109.5 3_675 3_675 3_675 no C34 C5 H1 154.0 4_475 4_475 4_475 no C34 C5 H2 57.5 4_475 4_475 4_475 no C34 C5 H3 63.0 4_475 4_475 4_475 no C34 C5 H3 117.4 4_475 4_475 4_475 no C34 C5 H4 92.2 4_475 4_475 4_475 no C34 C5 H5 54.5 4_475 4_475 4_475 no C34 C5 H8 91.7 4_475 4_475 4_475 no C34 C5 H11 94.6 4_475 4_475 4_475 no C34 C5 H11 108.1 4_475 4_475 4_475 no C34 C5 H30 15.1 4_475 4_475 4_475 no H1 C5 H2 130.6 . . . no H1 C5 H3 120.7 . . . no H1 C5 H3 71.6 . . . no H1 C5 H4 62.0 . . . no H1 C5 H5 99.9 . . . no H1 C5 H8 108.9 . . . no H1 C5 H11 106.8 . . . no H1 C5 H11 55.8 . . . no H1 C5 H30 163.0 . . . no H2 C5 H3 108.2 . . . no H2 C5 H3 144.0 . . . no H2 C5 H4 108.7 . . . no H2 C5 H5 96.5 . . . no H2 C5 H8 42.1 . . . no H2 C5 H11 98.8 . . . no H2 C5 H11 159.7 . . . no H2 C5 H30 61.8 . . . no H3 C5 H3 54.4 . . . no H3 C5 H4 109.9 . . . no H3 C5 H5 77.6 . . . no H3 C5 H8 110.1 . . . no H3 C5 H11 50.2 . . . no H3 C5 H11 72.0 . . . no H3 C5 H30 51.2 . . . no H3 C5 H4 107.1 3_675 3_675 3_675 no H3 C5 H5 107.8 3_675 3_675 3_675 no H3 C5 H8 109.0 3_675 3_675 3_675 no H3 C5 H11 45.2 3_675 3_675 3_675 no H3 C5 H11 53.2 3_675 3_675 3_675 no H3 C5 H30 104.9 3_675 3_675 3_675 no H4 C5 H5 41.0 . . . no H4 C5 H8 136.8 . . . no H4 C5 H11 150.8 . . . no H4 C5 H11 54.5 . . . no H4 C5 H30 104.7 . . . no H5 C5 H8 138.7 2 2 2 no H5 C5 H11 127.8 2 2 2 no H5 C5 H11 63.4 2 2 2 no H5 C5 H30 64.8 2 2 2 no H8 C5 H11 71.4 . . . no H8 C5 H11 157.8 . . . no H8 C5 H30 88.1 . . . no H11 C5 H11 96.4 . . . no H11 C5 H30 79.6 . . . no H11 C5 H30 108.3 3_675 3_675 3_675 no N2 C6 C1 10.7(5) . . . ? N2 C6 C2 49.0(6) . . . ? N2 C6 C3 59.5(7) . . . ? N2 C6 C4 29.6(9) . . . ? N2 C6 C8 74.0(6) . . . ? N2 C6 C35 178.2(8) . . . ? N2 C6 C36 159.1(7) . . . ? N2 C6 H1 83.5 . . . no N2 C6 H4 100.5 . . . no N2 C6 H5 126.6 . . . no N2 C6 H6 116.2 . . . no N2 C6 H7 80.4 . . . no N2 C6 H8 62.5 . . . no N2 C6 H9 101.8 . . . no N2 C6 H15 92.9 . . . no N2 C6 H16 51.4 . . . no N2 C6 H26 117.3 . . . no N2 C6 H30 79.4 . . . no N2 C6 H31 58.1 . . . no N2 C6 H31 163.3 . . . no N2 C6 H32 148.2 . . . no C1 C6 C2 38.3(4) . . . ? C1 C6 C3 48.8(6) . . . ? C1 C6 C4 18.9(10) . . . ? C1 C6 C8 80.6(6) . . . ? C1 C6 C35 169.2(7) . . . ? C1 C6 C36 164.5(6) . . . ? C1 C6 H1 72.8 . . . no C1 C6 H4 98.7 . . . no C1 C6 H5 120.7 . . . no C1 C6 H6 114.9 . . . no C1 C6 H7 90.8 . . . no C1 C6 H8 70.5 . . . no C1 C6 H9 110.6 . . . no C1 C6 H15 103.5 . . . no C1 C6 H16 62.1 . . . no C1 C6 H26 123.0 . . . no C1 C6 H30 79.3 . . . no C1 C6 H31 64.7 . . . no C1 C6 H31 152.6 . . . no C1 C6 H32 149.5 . . . no C2 C6 C3 10.5(5) . . . ? C2 C6 C4 19.5(10) . . . ? C2 C6 C8 107.4(6) . . . ? C2 C6 C35 131.2(6) . . . ? C2 C6 C36 141.6(6) . . . ? C2 C6 H1 34.6 . . . no C2 C6 H4 93.6 . . . no C2 C6 H5 97.0 . . . no C2 C6 H6 101.0 . . . no C2 C6 H7 128.7 . . . no C2 C6 H8 102.7 . . . no C2 C6 H9 140.9 . . . no C2 C6 H15 140.5 . . . no C2 C6 H16 100.3 . . . no C2 C6 H26 130.1 . . . no C2 C6 H30 78.8 . . . no C2 C6 H31 89.5 . . . no C2 C6 H31 114.3 . . . no C2 C6 H32 129.7 . . . no C3 C6 C4 29.9(9) . . . ? C3 C6 C8 113.5(7) . . . ? C3 C6 C35 120.7(7) . . . ? C3 C6 C36 132.3(7) . . . ? C3 C6 H1 24.1 . . . no C3 C6 H4 90.8 . . . no C3 C6 H5 89.2 . . . no C3 C6 H6 97.1 . . . no C3 C6 H7 138.8 . . . no C3 C6 H8 110.8 . . . no C3 C6 H9 146.1 . . . no C3 C6 H15 150.6 . . . no C3 C6 H16 110.9 . . . no C3 C6 H26 129.4 . . . no C3 C6 H30 80.5 . . . no C3 C6 H31 97.4 . . . no C3 C6 H31 103.8 . . . no C3 C6 H32 122.1 . . . no C4 C6 C8 93.2(11) . . . ? C4 C6 C35 150.5(13) . . . ? C4 C6 C36 158.6(13) . . . ? C4 C6 H1 53.9 . . . no C4 C6 H4 95.5 . . . no C4 C6 H5 109.0 . . . no C4 C6 H6 109.9 . . . no C4 C6 H7 109.4 . . . no C4 C6 H8 85.8 . . . no C4 C6 H9 125.8 . . . no C4 C6 H15 122.1 . . . no C4 C6 H16 81.0 . . . no C4 C6 H26 129.9 . . . no C4 C6 H30 79.4 . . . no C4 C6 H31 77.3 . . . no C4 C6 H31 133.7 . . . no C4 C6 H32 143.6 . . . no C8 C6 C35 104.5(6) 3_665 3_665 3_665 ? C8 C6 C36 108.2(6) 3_665 3_665 3_665 ? C8 C6 H1 124.7 3_665 3_665 3_665 no C8 C6 H4 52.7 3_665 3_665 3_665 no C8 C6 H5 82.8 3_665 3_665 3_665 no C8 C6 H6 147.5 3_665 3_665 3_665 no C8 C6 H7 39.1 3_665 3_665 3_665 no C8 C6 H8 14.8 3_665 3_665 3_665 no C8 C6 H9 33.5 3_665 3_665 3_665 no C8 C6 H15 62.2 3_665 3_665 3_665 no C8 C6 H16 50.3 3_665 3_665 3_665 no C8 C6 H26 112.7 3_665 3_665 3_665 no C8 C6 H30 135.6 3_665 3_665 3_665 no C8 C6 H31 94.8 3_665 3_665 3_665 no C8 C6 H31 116.9 3_665 3_665 3_665 no C8 C6 H32 122.5 3_665 3_665 3_665 no C35 C6 C36 22.2(3) 3_675 3_675 3_675 ? C35 C6 H1 96.6 3_675 3_675 3_675 no C35 C6 H4 77.7 3_675 3_675 3_675 no C35 C6 H5 51.8 3_675 3_675 3_675 no C35 C6 H6 65.7 3_675 3_675 3_675 no C35 C6 H7 99.1 3_675 3_675 3_675 no C35 C6 H8 116.2 3_675 3_675 3_675 no C35 C6 H9 77.1 3_675 3_675 3_675 no C35 C6 H15 87.3 3_675 3_675 3_675 no C35 C6 H16 128.5 3_675 3_675 3_675 no C35 C6 H26 64.2 3_675 3_675 3_675 no C35 C6 H30 102.5 3_675 3_675 3_675 no C35 C6 H31 123.4 3_675 3_675 3_675 no C35 C6 H31 17.1 3_675 3_675 3_675 no C35 C6 H32 33.6 3_675 3_675 3_675 no C36 C6 H1 110.0 3_675 3_675 3_675 no C36 C6 H4 96.7 3_675 3_675 3_675 no C36 C6 H5 73.8 3_675 3_675 3_675 no C36 C6 H6 51.2 3_675 3_675 3_675 no C36 C6 H7 88.7 3_675 3_675 3_675 no C36 C6 H8 115.3 3_675 3_675 3_675 no C36 C6 H9 75.5 3_675 3_675 3_675 no C36 C6 H15 71.1 3_675 3_675 3_675 no C36 C6 H16 113.2 3_675 3_675 3_675 no C36 C6 H26 42.1 3_675 3_675 3_675 no C36 C6 H30 85.7 3_675 3_675 3_675 no C36 C6 H31 101.2 3_675 3_675 3_675 no C36 C6 H31 33.7 3_675 3_675 3_675 no C36 C6 H32 16.2 3_675 3_675 3_675 no H1 C6 H4 84.3 . . . no H1 C6 H5 71.4 . . . no H1 C6 H6 87.7 . . . no H1 C6 H7 160.3 . . . no H1 C6 H8 127.7 . . . no H1 C6 H9 147.8 . . . no H1 C6 H15 170.4 . . . no H1 C6 H16 134.9 . . . no H1 C6 H26 122.5 . . . no H1 C6 H30 85.8 . . . no H1 C6 H31 114.8 . . . no H1 C6 H31 79.8 . . . no H1 C6 H32 103.1 . . . no H4 C6 H5 32.8 2_545 2_545 2_545 no H4 C6 H6 141.3 2_545 2_545 2_545 no H4 C6 H7 87.5 2_545 2_545 2_545 no H4 C6 H8 66.2 2_545 2_545 2_545 no H4 C6 H9 63.4 2_545 2_545 2_545 no H4 C6 H15 105.1 2_545 2_545 2_545 no H4 C6 H16 102.4 2_545 2_545 2_545 no H4 C6 H26 134.4 2_545 2_545 2_545 no H4 C6 H30 170.1 2_545 2_545 2_545 no H4 C6 H31 146.7 2_545 2_545 2_545 no H4 C6 H31 79.1 2_545 2_545 2_545 no H4 C6 H32 111.1 2_545 2_545 2_545 no H5 C6 H6 109.2 . . . no H5 C6 H7 109.8 . . . no H5 C6 H8 97.3 . . . no H5 C6 H9 80.4 . . . no H5 C6 H15 117.5 . . . no H5 C6 H16 132.9 . . . no H5 C6 H26 116.0 . . . no H5 C6 H30 141.1 . . . no H5 C6 H31 173.4 . . . no H5 C6 H31 48.1 . . . no H5 C6 H32 84.4 . . . no H6 C6 H7 109.6 . . . no H6 C6 H8 141.7 . . . no H6 C6 H9 116.8 . . . no H6 C6 H15 85.9 . . . no H6 C6 H16 109.8 . . . no H6 C6 H26 34.8 . . . no H6 C6 H30 36.9 . . . no H6 C6 H31 69.7 . . . no H6 C6 H31 62.2 . . . no H6 C6 H32 35.0 . . . no H7 C6 H8 33.2 . . . no H7 C6 H9 29.8 . . . no H7 C6 H15 23.9 . . . no H7 C6 H16 30.9 . . . no H7 C6 H26 75.5 . . . no H7 C6 H30 102.2 . . . no H7 C6 H31 65.3 . . . no H7 C6 H31 116.2 . . . no H7 C6 H32 96.6 . . . no H8 C6 H9 40.3 3_665 3_665 3_665 no H8 C6 H15 56.9 3_665 3_665 3_665 no H8 C6 H16 36.2 3_665 3_665 3_665 no H8 C6 H26 108.5 3_665 3_665 3_665 no H8 C6 H30 121.4 3_665 3_665 3_665 no H8 C6 H31 80.8 3_665 3_665 3_665 no H8 C6 H31 130.3 3_665 3_665 3_665 no H8 C6 H32 127.1 3_665 3_665 3_665 no H9 C6 H15 41.8 3_665 3_665 3_665 no H9 C6 H16 59.0 3_665 3_665 3_665 no H9 C6 H26 83.7 3_665 3_665 3_665 no H9 C6 H30 126.4 3_665 3_665 3_665 no H9 C6 H31 94.2 3_665 3_665 3_665 no H9 C6 H31 93.0 3_665 3_665 3_665 no H9 C6 H32 89.1 3_665 3_665 3_665 no H15 C6 H16 42.2 2_645 2_645 2_645 no H15 C6 H26 51.7 2_645 2_645 2_645 no H15 C6 H30 84.8 2_645 2_645 2_645 no H15 C6 H31 56.1 2_645 2_645 2_645 no H15 C6 H31 103.4 2_645 2_645 2_645 no H15 C6 H32 75.4 2_645 2_645 2_645 no H16 C6 H26 84.2 2_645 2_645 2_645 no H16 C6 H30 85.4 2_645 2_645 2_645 no H16 C6 H31 44.6 2_645 2_645 2_645 no H16 C6 H31 145.2 2_645 2_645 2_645 no H16 C6 H32 115.1 2_645 2_645 2_645 no H26 C6 H30 51.8 3_675 3_675 3_675 no H26 C6 H31 59.3 3_675 3_675 3_675 no H26 C6 H31 71.7 3_675 3_675 3_675 no H26 C6 H32 33.6 3_675 3_675 3_675 no H30 C6 H31 40.7 2_645 2_645 2_645 no H30 C6 H31 98.1 2_645 2_645 2_645 no H30 C6 H32 70.3 2_645 2_645 2_645 no H31 C6 H31 129.1 2_645 2_645 2_645 no H31 C6 H32 91.7 2_645 2_645 2_645 no H31 C6 H32 38.1 3_675 3_675 3_675 no O1 C7 N1 58.7(8) . . . ? O1 C7 N2 38.1(4) . . . ? O1 C7 C1 27.9(4) . . . ? O1 C7 C2 87.1(7) . . . ? O1 C7 C3 76.2(5) . . . ? O1 C7 C5 119.0(7) . . . ? O1 C7 C8 102.4(12) . . . ? O1 C7 C9 115.7(8) . . . ? O1 C7 C10 125.0(6) . . . ? O1 C7 C11 122.4(7) . . . ? O1 C7 C12 112.0(11) . . . ? O1 C7 H1 38.7 . . . no O1 C7 H2 128.1 . . . no O1 C7 H3 130.1 . . . no O1 C7 H4 116.2 . . . no O1 C7 H4 51.2 . . . no O1 C7 H8 87.6 . . . no O1 C7 H9 111.3 . . . no O1 C7 H10 119.7 . . . no O1 C7 H11 97.2 . . . no N1 C7 N2 21.1(8) . . . ? N1 C7 C1 30.8(8) . . . ? N1 C7 C2 28.4(8) . . . ? N1 C7 C3 17.5(9) . . . ? N1 C7 C5 60.5(9) . . . ? N1 C7 C8 121.3(17) . . . ? N1 C7 C9 150.1(15) . . . ? N1 C7 C10 176.2(11) . . . ? N1 C7 C11 151.0(15) . . . ? N1 C7 C12 122.2(18) . . . ? N1 C7 H1 82.3 . . . no N1 C7 H2 74.9 . . . no N1 C7 H3 73.3 . . . no N1 C7 H4 58.0 . . . no N1 C7 H4 109.8 . . . no N1 C7 H8 94.9 . . . no N1 C7 H9 141.1 . . . no N1 C7 H10 141.3 . . . no N1 C7 H11 95.3 . . . no N2 C7 C1 10.3(6) . . . ? N2 C7 C2 49.4(6) . . . ? N2 C7 C3 38.4(4) . . . ? N2 C7 C5 81.5(5) . . . ? N2 C7 C8 121.3(13) . . . ? N2 C7 C9 146.7(9) . . . ? N2 C7 C10 162.7(6) . . . ? N2 C7 C11 144.9(9) . . . ? N2 C7 C12 118.7(13) . . . ? N2 C7 H1 62.9 . . . no N2 C7 H2 95.4 . . . no N2 C7 H3 92.5 . . . no N2 C7 H4 79.0 . . . no N2 C7 H4 89.1 . . . no N2 C7 H8 96.4 . . . no N2 C7 H9 138.8 . . . no N2 C7 H10 136.3 . . . no N2 C7 H11 92.9 . . . no C1 C7 C2 59.3(8) . . . ? C1 C7 C3 48.3(7) . . . ? C1 C7 C5 91.4(8) . . . ? C1 C7 C8 116.2(14) . . . ? C1 C7 C9 138.6(11) . . . ? C1 C7 C10 152.8(8) . . . ? C1 C7 C11 141.6(10) . . . ? C1 C7 C12 119.2(14) . . . ? C1 C7 H1 56.0 . . . no C1 C7 H2 103.9 . . . no C1 C7 H3 102.8 . . . no C1 C7 H4 88.8 . . . no C1 C7 H4 79.1 . . . no C1 C7 H8 93.1 . . . no C1 C7 H9 131.6 . . . no C1 C7 H10 134.7 . . . no C1 C7 H11 95.4 . . . no C2 C7 C3 11.0(6) . . . ? C2 C7 C5 32.1(4) . . . ? C2 C7 C8 117.7(13) . . . ? C2 C7 C9 139.4(9) . . . ? C2 C7 C10 147.9(8) . . . ? C2 C7 C11 137.4(10) . . . ? C2 C7 C12 115.8(13) . . . ? C2 C7 H1 106.9 . . . no C2 C7 H2 48.9 . . . no C2 C7 H3 46.5 . . . no C2 C7 H4 29.7 . . . no C2 C7 H4 138.2 . . . no C2 C7 H8 95.5 . . . no C2 C7 H9 133.7 . . . no C2 C7 H10 130.7 . . . no C2 C7 H11 93.7 . . . no C3 C7 C5 43.1(5) . . . ? C3 C7 C8 121.3(12) . . . ? C3 C7 C9 146.7(8) . . . ? C3 C7 C10 158.8(6) . . . ? C3 C7 C11 143.4(9) . . . ? C3 C7 C12 117.9(13) . . . ? C3 C7 H1 96.8 . . . no C3 C7 H2 59.3 . . . no C3 C7 H3 56.3 . . . no C3 C7 H4 40.7 . . . no C3 C7 H4 127.4 . . . no C3 C7 H8 96.7 . . . no C3 C7 H9 139.5 . . . no C3 C7 H10 135.1 . . . no C3 C7 H11 93.2 . . . no C5 C7 C8 104.1(11) . . . ? C5 C7 C9 113.9(7) . . . ? C5 C7 C10 115.7(7) . . . ? C5 C7 C11 112.7(7) . . . ? C5 C7 C12 103.2(11) . . . ? C5 C7 H1 134.2 . . . no C5 C7 H2 22.7 . . . no C5 C7 H3 21.8 . . . no C5 C7 H4 3.2 . . . no C5 C7 H4 169.3 . . . no C5 C7 H8 92.9 . . . no C5 C7 H9 112.1 . . . no C5 C7 H10 109.9 . . . no C5 C7 H11 92.6 . . . no C8 C7 C9 28.9(9) . . . ? C8 C7 C10 58.2(10) . . . ? C8 C7 C11 87.5(11) . . . ? C8 C7 C12 116.5(17) . . . ? C8 C7 H1 118.4 . . . no C8 C7 H2 81.6 . . . no C8 C7 H3 114.0 . . . no C8 C7 H4 103.6 . . . no C8 C7 H4 76.3 . . . no C8 C7 H8 26.5 . . . no C8 C7 H9 19.8 . . . no C8 C7 H10 97.3 . . . no C8 C7 H11 143.4 . . . no C9 C7 C10 29.4(4) . . . ? C9 C7 C11 58.7(6) . . . ? C9 C7 C12 87.6(12) . . . ? C9 C7 H1 111.6 . . . no C9 C7 H2 92.7 . . . no C9 C7 H3 112.6 . . . no C9 C7 H4 115.0 . . . no C9 C7 H4 71.7 . . . no C9 C7 H8 55.3 . . . no C9 C7 H9 9.1 . . . no C9 C7 H10 68.5 . . . no C9 C7 H11 114.5 . . . no C10 C7 C11 29.3(4) . . . ? C10 C7 C12 58.3(10) . . . ? C10 C7 H1 101.3 . . . no C10 C7 H2 101.4 . . . no C10 C7 H3 103.3 . . . no C10 C7 H4 118.3 . . . no C10 C7 H4 73.8 . . . no C10 C7 H8 84.7 . . . no C10 C7 H9 38.5 . . . no C10 C7 H10 39.1 . . . no C10 C7 H11 85.2 . . . no C11 C7 C12 29.0(9) . . . ? C11 C7 H1 86.6 . . . no C11 C7 H2 109.4 . . . no C11 C7 H3 93.0 . . . no C11 C7 H4 115.9 . . . no C11 C7 H4 78.0 . . . no C11 C7 H8 114.0 . . . no C11 C7 H9 67.7 . . . no C11 C7 H10 9.8 . . . no C11 C7 H11 55.9 . . . no C12 C7 H1 73.4 . . . no C12 C7 H2 111.7 . . . no C12 C7 H3 81.5 . . . no C12 C7 H4 106.2 . . . no C12 C7 H4 85.8 . . . no C12 C7 H8 142.9 . . . no C12 C7 H9 96.7 . . . no C12 C7 H10 19.2 . . . no C12 C7 H11 26.9 . . . no H1 C7 H2 155.6 4_565 4_565 4_565 no H1 C7 H3 127.5 4_565 4_565 4_565 no H1 C7 H4 133.4 4_565 4_565 4_565 no H1 C7 H4 42.5 4_565 4_565 4_565 no H1 C7 H8 117.5 4_565 4_565 4_565 no H1 C7 H9 113.7 4_565 4_565 4_565 no H1 C7 H10 82.0 4_565 4_565 4_565 no H1 C7 H11 63.5 4_565 4_565 4_565 no H2 C7 H3 36.8 . . . no H2 C7 H4 22.8 . . . no H2 C7 H4 156.5 . . . no H2 C7 H8 73.6 . . . no H2 C7 H9 89.9 . . . no H2 C7 H10 110.8 . . . no H2 C7 H11 109.7 . . . no H3 C7 H4 24.8 . . . no H3 C7 H4 166.3 . . . no H3 C7 H8 110.3 . . . no H3 C7 H9 114.5 . . . no H3 C7 H10 89.0 . . . no H3 C7 H11 73.3 . . . no H4 C7 H4 166.1 . . . no H4 C7 H8 91.1 . . . no H4 C7 H9 112.6 . . . no H4 C7 H10 113.2 . . . no H4 C7 H11 94.8 . . . no H4 C7 H8 82.9 4_565 4_565 4_565 no H4 C7 H9 71.9 4_565 4_565 4_565 no H4 C7 H10 80.4 4_565 4_565 4_565 no H4 C7 H11 93.1 4_565 4_565 4_565 no H8 C7 H9 46.3 . . . no H8 C7 H10 123.8 . . . no H8 C7 H11 169.8 . . . no H9 C7 H10 77.5 . . . no H9 C7 H11 123.5 . . . no H10 C7 H11 46.1 . . . no O1 C8 N1 44.4(5) . . . ? O1 C8 N2 59.8(4) . . . ? O1 C8 C1 22.1(3) . . . ? O1 C8 C2 64.9(5) . . . ? O1 C8 C5 90.2(6) . . . ? O1 C8 C6 70.5(5) . . . ? O1 C8 C7 53.1(10) . . . ? O1 C8 C9 132.4(10) . . . ? O1 C8 C10 118.2(7) . . . ? O1 C8 C11 95.9(7) . . . ? O1 C8 C12 73.6(7) . . . ? O1 C8 C13 124.7(5) . . . ? O1 C8 C17 131.2(5) . . . ? O1 C8 C18 120.5(5) . . . ? O1 C8 H2 104.2 . . . no O1 C8 H2 72.8 . . . no O1 C8 H3 93.1 . . . no O1 C8 H4 47.9 . . . no O1 C8 H5 64.6 . . . no O1 C8 H7 83.1 . . . no O1 C8 H8 85.1 . . . no O1 C8 H9 135.6 . . . no O1 C8 H10 95.6 . . . no O1 C8 H11 66.5 . . . no O1 C8 H15 124.0 . . . no O1 C8 H16 103.2 . . . no O1 C8 H29 155.8 . . . no N1 C8 N2 74.8(5) . . . ? N1 C8 C1 23.2(4) . . . ? N1 C8 C2 21.5(4) . . . ? N1 C8 C5 45.9(5) . . . ? N1 C8 C6 104.9(7) . . . ? N1 C8 C7 29.7(9) . . . ? N1 C8 C9 152.5(15) . . . ? N1 C8 C10 122.5(10) . . . ? N1 C8 C11 91.9(8) . . . ? N1 C8 C12 61.5(8) . . . ? N1 C8 C13 133.3(7) . . . ? N1 C8 C17 129.4(6) . . . ? N1 C8 C18 108.7(6) . . . ? N1 C8 H2 60.9 . . . no N1 C8 H2 107.4 . . . no N1 C8 H3 50.3 . . . no N1 C8 H4 88.2 . . . no N1 C8 H5 105.5 . . . no N1 C8 H7 113.4 . . . no N1 C8 H8 89.3 . . . no N1 C8 H9 177.4 . . . no N1 C8 H10 91.4 . . . no N1 C8 H11 52.0 . . . no N1 C8 H15 138.1 . . . no N1 C8 H16 96.8 . . . no N1 C8 H29 112.2 . . . no N2 C8 C1 61.0(4) 3_665 3_665 3_665 ? N2 C8 C2 78.7(5) 3_665 3_665 3_665 ? N2 C8 C5 95.4(5) 3_665 3_665 3_665 ? N2 C8 C6 37.2(4) 3_665 3_665 3_665 ? N2 C8 C7 101.9(12) 3_665 3_665 3_665 ? N2 C8 C9 130.5(14) 3_665 3_665 3_665 ? N2 C8 C10 155.5(8) 3_665 3_665 3_665 ? N2 C8 C11 155.1(7) 3_665 3_665 3_665 ? N2 C8 C12 131.2(9) 3_665 3_665 3_665 ? N2 C8 C13 147.6(6) 3_665 3_665 3_665 ? N2 C8 C17 71.8(4) 3_665 3_665 3_665 ? N2 C8 C18 61.9(4) 3_665 3_665 3_665 ? N2 C8 H2 94.6 3_665 3_665 3_665 no N2 C8 H2 106.1 3_665 3_665 3_665 no N2 C8 H3 111.4 3_665 3_665 3_665 no N2 C8 H4 83.7 3_665 3_665 3_665 no N2 C8 H5 49.6 3_665 3_665 3_665 no N2 C8 H7 40.2 3_665 3_665 3_665 no N2 C8 H8 25.6 3_665 3_665 3_665 no N2 C8 H9 107.5 3_665 3_665 3_665 no N2 C8 H10 154.9 3_665 3_665 3_665 no N2 C8 H11 122.4 3_665 3_665 3_665 no N2 C8 H15 69.1 3_665 3_665 3_665 no N2 C8 H16 45.2 3_665 3_665 3_665 no N2 C8 H29 114.0 3_665 3_665 3_665 no C1 C8 C2 42.9(6) . . . ? C1 C8 C5 68.4(6) . . . ? C1 C8 C6 84.3(6) . . . ? C1 C8 C7 41.7(10) . . . ? C1 C8 C9 151.0(11) . . . ? C1 C8 C10 127.6(9) . . . ? C1 C8 C11 98.9(8) . . . ? C1 C8 C12 70.4(8) . . . ? C1 C8 C13 137.1(6) . . . ? C1 C8 C17 129.6(6) . . . ? C1 C8 C18 112.2(6) . . . ? C1 C8 H2 82.1 . . . no C1 C8 H2 92.5 . . . no C1 C8 H3 73.4 . . . no C1 C8 H4 69.1 . . . no C1 C8 H5 82.7 . . . no C1 C8 H7 94.8 . . . no C1 C8 H8 82.3 . . . no C1 C8 H9 157.2 . . . no C1 C8 H10 98.4 . . . no C1 C8 H11 61.4 . . . no C1 C8 H15 130.2 . . . no C1 C8 H16 96.3 . . . no C1 C8 H29 133.7 . . . no C2 C8 C5 25.7(3) . . . ? C2 C8 C6 114.5(6) . . . ? C2 C8 C7 40.8(9) . . . ? C2 C8 C9 149.7(13) . . . ? C2 C8 C10 124.1(8) . . . ? C2 C8 C11 96.6(7) . . . ? C2 C8 C12 68.6(7) . . . ? C2 C8 C13 133.6(6) . . . ? C2 C8 C17 113.6(5) . . . ? C2 C8 C18 93.2(5) . . . ? C2 C8 H2 39.6 . . . no C2 C8 H2 127.2 . . . no C2 C8 H3 35.3 . . . no C2 C8 H4 109.7 . . . no C2 C8 H5 120.6 . . . no C2 C8 H7 118.6 . . . no C2 C8 H8 84.5 . . . no C2 C8 H9 159.3 . . . no C2 C8 H10 96.2 . . . no C2 C8 H11 60.3 . . . no C2 C8 H15 126.6 . . . no C2 C8 H16 85.3 . . . no C2 C8 H29 91.2 . . . no C5 C8 C6 132.4(5) . . . ? C5 C8 C7 53.1(9) . . . ? C5 C8 C9 127.0(12) . . . ? C5 C8 C10 109.1(7) . . . ? C5 C8 C11 89.7(6) . . . ? C5 C8 C12 69.8(6) . . . ? C5 C8 C13 115.8(5) . . . ? C5 C8 C17 101.2(4) . . . ? C5 C8 C18 83.9(5) . . . ? C5 C8 H2 16.7 . . . no C5 C8 H2 139.6 . . . no C5 C8 H3 17.1 . . . no C5 C8 H4 131.5 . . . no C5 C8 H5 143.4 . . . no C5 C8 H7 130.7 . . . no C5 C8 H8 91.1 . . . no C5 C8 H9 134.3 . . . no C5 C8 H10 89.4 . . . no C5 C8 H11 64.6 . . . no C5 C8 H15 117.0 . . . no C5 C8 H16 83.3 . . . no C5 C8 H29 66.4 . . . no C6 C8 C7 123.6(12) 3_665 3_665 3_665 ? C6 C8 C9 95.7(12) 3_665 3_665 3_665 ? C6 C8 C10 118.4(8) 3_665 3_665 3_665 ? C6 C8 C11 134.0(6) 3_665 3_665 3_665 ? C6 C8 C12 136.8(7) 3_665 3_665 3_665 ? C6 C8 C13 110.8(5) 3_665 3_665 3_665 ? C6 C8 C17 66.9(4) 3_665 3_665 3_665 ? C6 C8 C18 71.0(5) 3_665 3_665 3_665 ? C6 C8 H2 128.7 3_665 3_665 3_665 no C6 C8 H2 76.7 3_665 3_665 3_665 no C6 C8 H3 148.5 3_665 3_665 3_665 no C6 C8 H4 63.4 3_665 3_665 3_665 no C6 C8 H5 16.8 3_665 3_665 3_665 no C6 C8 H7 13.3 3_665 3_665 3_665 no C6 C8 H8 45.7 3_665 3_665 3_665 no C6 C8 H9 76.8 3_665 3_665 3_665 no C6 C8 H10 134.1 3_665 3_665 3_665 no C6 C8 H11 133.7 3_665 3_665 3_665 no C6 C8 H15 54.7 3_665 3_665 3_665 no C6 C8 H16 61.1 3_665 3_665 3_665 no C6 C8 H29 120.3 3_665 3_665 3_665 no C7 C8 C9 122.9(17) . . . ? C7 C8 C10 93.0(12) . . . ? C7 C8 C11 62.3(10) . . . ? C7 C8 C12 31.8(9) . . . ? C7 C8 C13 103.7(12) . . . ? C7 C8 C17 153.6(11) . . . ? C7 C8 C18 133.8(12) . . . ? C7 C8 H2 69.6 . . . no C7 C8 H2 88.7 . . . no C7 C8 H3 45.9 . . . no C7 C8 H4 79.5 . . . no C7 C8 H5 116.3 . . . no C7 C8 H7 135.6 . . . no C7 C8 H8 119.0 . . . no C7 C8 H9 147.8 . . . no C7 C8 H10 61.8 . . . no C7 C8 H11 22.4 . . . no C7 C8 H15 167.1 . . . no C7 C8 H16 125.2 . . . no C7 C8 H29 111.2 . . . no C9 C8 C10 30.1(9) . . . ? C9 C8 C11 60.7(10) . . . ? C9 C8 C12 91.1(12) . . . ? C9 C8 C13 19.3(10) . . . ? C9 C8 C17 75.4(12) . . . ? C9 C8 C18 94.9(12) . . . ? C9 C8 H2 118.5 . . . no C9 C8 H2 59.6 . . . no C9 C8 H3 114.6 . . . no C9 C8 H4 84.9 . . . no C9 C8 H5 89.0 . . . no C9 C8 H7 90.4 . . . no C9 C8 H8 118.1 . . . no C9 C8 H9 24.9 . . . no C9 C8 H10 61.1 . . . no C9 C8 H11 100.6 . . . no C9 C8 H15 69.0 . . . no C9 C8 H16 109.1 . . . no C9 C8 H29 70.7 . . . no C10 C8 C11 30.7(4) . . . ? C10 C8 C12 61.1(6) . . . ? C10 C8 C13 10.8(6) . . . ? C10 C8 C17 102.6(8) . . . ? C10 C8 C18 119.6(9) . . . ? C10 C8 H2 108.9 . . . no C10 C8 H2 54.4 . . . no C10 C8 H3 92.9 . . . no C10 C8 H4 80.0 . . . no C10 C8 H5 106.3 . . . no C10 C8 H7 117.0 . . . no C10 C8 H8 148.1 . . . no C10 C8 H9 54.9 . . . no C10 C8 H10 31.2 . . . no C10 C8 H11 70.6 . . . no C10 C8 H15 98.7 . . . no C10 C8 H16 136.0 . . . no C10 C8 H29 77.4 . . . no C11 C8 C12 30.4(4) . . . ? C11 C8 C13 41.5(6) . . . ? C11 C8 C17 131.0(8) . . . ? C11 C8 C18 143.0(8) . . . ? C11 C8 H2 97.0 . . . no C11 C8 H2 57.3 . . . no C11 C8 H3 72.6 . . . no C11 C8 H4 74.8 . . . no C11 C8 H5 117.6 . . . no C11 C8 H7 139.6 . . . no C11 C8 H8 178.8 . . . no C11 C8 H9 85.6 . . . no C11 C8 H10 0.5 . . . no C11 C8 H11 39.9 . . . no C11 C8 H15 129.3 . . . no C11 C8 H16 159.6 . . . no C11 C8 H29 90.3 . . . no C12 C8 C13 71.9(7) . . . ? C12 C8 C17 154.7(8) . . . ? C12 C8 C18 150.7(7) . . . ? C12 C8 H2 82.8 . . . no C12 C8 H2 70.3 . . . no C12 C8 H3 54.9 . . . no C12 C8 H4 74.9 . . . no C12 C8 H5 121.9 . . . no C12 C8 H7 149.5 . . . no C12 C8 H8 150.8 . . . no C12 C8 H9 115.9 . . . no C12 C8 H10 29.9 . . . no C12 C8 H11 9.5 . . . no C12 C8 H15 159.3 . . . no C12 C8 H16 152.7 . . . no C12 C8 H29 102.2 . . . no C13 C8 C17 92.6(5) . . . ? C13 C8 C18 110.7(6) . . . ? C13 C8 H2 112.6 . . . no C13 C8 H2 55.5 . . . no C13 C8 H3 100.6 . . . no C13 C8 H4 81.9 . . . no C13 C8 H5 100.6 . . . no C13 C8 H7 107.8 . . . no C13 C8 H8 137.3 . . . no C13 C8 H9 44.1 . . . no C13 C8 H10 42.0 . . . no C13 C8 H11 81.4 . . . no C13 C8 H15 88.0 . . . no C13 C8 H16 126.4 . . . no C13 C8 H29 74.1 . . . no C17 C8 C18 20.7(3) 4_465 4_465 4_465 ? C17 C8 H2 85.1 4_465 4_465 4_465 no C17 C8 H2 117.8 4_465 4_465 4_465 no C17 C8 H3 111.2 4_465 4_465 4_465 no C17 C8 H4 123.8 4_465 4_465 4_465 no C17 C8 H5 79.9 4_465 4_465 4_465 no C17 C8 H7 53.6 4_465 4_465 4_465 no C17 C8 H8 47.9 4_465 4_465 4_465 no C17 C8 H9 53.0 4_465 4_465 4_465 no C17 C8 H10 131.4 4_465 4_465 4_465 no C17 C8 H11 159.3 4_465 4_465 4_465 no C17 C8 H15 16.2 4_465 4_465 4_465 no C17 C8 H16 33.8 4_465 4_465 4_465 no C17 C8 H29 53.4 4_465 4_465 4_465 no C18 C8 H2 69.2 4_465 4_465 4_465 no C18 C8 H2 136.4 4_465 4_465 4_465 no C18 C8 H3 96.9 4_465 4_465 4_465 no C18 C8 H4 134.2 4_465 4_465 4_465 no C18 C8 H5 86.9 4_465 4_465 4_465 no C18 C8 H7 59.2 4_465 4_465 4_465 no C18 C8 H8 36.2 4_465 4_465 4_465 no C18 C8 H9 73.6 4_465 4_465 4_465 no C18 C8 H10 143.3 4_465 4_465 4_465 no C18 C8 H11 148.3 4_465 4_465 4_465 no C18 C8 H15 34.1 4_465 4_465 4_465 no C18 C8 H16 17.2 4_465 4_465 4_465 no C18 C8 H29 53.8 4_465 4_465 4_465 no H2 C8 H2 152.8 . . . no H2 C8 H3 28.0 . . . no H2 C8 H4 148.1 . . . no H2 C8 H5 144.0 . . . no H2 C8 H7 122.6 . . . no H2 C8 H8 83.5 . . . no H2 C8 H9 119.7 . . . no H2 C8 H10 96.8 . . . no H2 C8 H11 79.1 . . . no H2 C8 H15 101.1 . . . no H2 C8 H16 71.6 . . . no H2 C8 H29 51.7 . . . no H2 C8 H3 125.1 4_565 4_565 4_565 no H2 C8 H4 26.5 4_565 4_565 4_565 no H2 C8 H5 60.2 4_565 4_565 4_565 no H2 C8 H7 84.4 4_565 4_565 4_565 no H2 C8 H8 122.4 4_565 4_565 4_565 no H2 C8 H9 71.0 4_565 4_565 4_565 no H2 C8 H10 57.4 4_565 4_565 4_565 no H2 C8 H11 75.0 4_565 4_565 4_565 no H2 C8 H15 102.6 4_565 4_565 4_565 no H2 C8 H16 135.6 4_565 4_565 4_565 no H2 C8 H29 129.1 4_565 4_565 4_565 no H3 C8 H4 124.8 . . . no H3 C8 H5 155.5 . . . no H3 C8 H7 147.8 . . . no H3 C8 H8 108.2 . . . no H3 C8 H9 128.9 . . . no H3 C8 H10 72.3 . . . no H3 C8 H11 51.4 . . . no H3 C8 H15 127.3 . . . no H3 C8 H16 99.1 . . . no H3 C8 H29 66.4 . . . no H4 C8 H5 47.3 4_565 4_565 4_565 no H4 C8 H7 75.0 4_565 4_565 4_565 no H4 C8 H8 105.3 4_565 4_565 4_565 no H4 C8 H9 90.8 4_565 4_565 4_565 no H4 C8 H10 74.8 4_565 4_565 4_565 no H4 C8 H11 75.2 4_565 4_565 4_565 no H4 C8 H15 107.8 4_565 4_565 4_565 no H4 C8 H16 123.7 4_565 4_565 4_565 no H4 C8 H29 155.4 4_565 4_565 4_565 no H5 C8 H7 27.7 3_665 3_665 3_665 no H5 C8 H8 62.2 3_665 3_665 3_665 no H5 C8 H9 75.5 3_665 3_665 3_665 no H5 C8 H10 117.7 3_665 3_665 3_665 no H5 C8 H11 120.7 3_665 3_665 3_665 no H5 C8 H15 65.6 3_665 3_665 3_665 no H5 C8 H16 77.8 3_665 3_665 3_665 no H5 C8 H29 131.9 3_665 3_665 3_665 no H7 C8 H8 39.8 3_665 3_665 3_665 no H7 C8 H9 68.6 3_665 3_665 3_665 no H7 C8 H10 139.8 3_665 3_665 3_665 no H7 C8 H11 147.0 3_665 3_665 3_665 no H7 C8 H15 41.5 3_665 3_665 3_665 no H7 C8 H16 51.6 3_665 3_665 3_665 no H7 C8 H29 107.0 3_665 3_665 3_665 no H8 C8 H9 93.2 . . . no H8 C8 H10 179.2 . . . no H8 C8 H11 141.3 . . . no H8 C8 H15 49.5 . . . no H8 C8 H16 19.8 . . . no H8 C8 H29 89.1 . . . no H9 C8 H10 86.0 . . . no H9 C8 H11 125.4 . . . no H9 C8 H15 44.5 . . . no H9 C8 H16 85.7 . . . no H9 C8 H29 68.2 . . . no H10 C8 H11 39.4 . . . no H10 C8 H15 129.8 . . . no H10 C8 H16 159.8 . . . no H10 C8 H29 90.5 . . . no H11 C8 H15 168.5 . . . no H11 C8 H16 145.6 . . . no H11 C8 H29 106.0 . . . no H15 C8 H16 41.9 4_465 4_465 4_465 no H15 C8 H29 66.5 4_465 4_465 4_465 no H16 C8 H29 69.3 4_465 4_465 4_465 no N1 C9 C5 79.3(4) . . . ? N1 C9 C7 10.8(5) . . . ? N1 C9 C8 17.4(10) . . . ? N1 C9 C10 102.3(11) . . . ? N1 C9 C11 70.9(6) . . . ? N1 C9 C12 40.9(5) . . . ? N1 C9 C13 132.6(7) . . . ? N1 C9 C14 155.6(7) . . . ? N1 C9 C17 99.7(5) . . . ? N1 C9 C18 122.8(5) . . . ? N1 C9 C18 79.4(4) . . . ? N1 C9 C33 138.1(6) . . . ? N1 C9 H2 42.3 . . . no N1 C9 H2 92.8 . . . no N1 C9 H4 67.9 . . . no N1 C9 H5 80.2 . . . no N1 C9 H7 79.6 . . . no N1 C9 H8 43.9 . . . no N1 C9 H9 139.2 . . . no N1 C9 H10 80.1 . . . no N1 C9 H11 41.0 . . . no N1 C9 H12 153.8 . . . no N1 C9 H15 105.7 . . . no N1 C9 H16 66.8 . . . no N1 C9 H29 92.1 . . . no N1 C9 H29 141.7 . . . no C5 C9 C7 75.3(5) 4_565 4_565 4_565 ? C5 C9 C8 84.8(9) 4_565 4_565 4_565 ? C5 C9 C10 78.0(9) 4_565 4_565 4_565 ? C5 C9 C11 69.7(5) 4_565 4_565 4_565 ? C5 C9 C12 69.4(5) 4_565 4_565 4_565 ? C5 C9 C13 86.8(6) 4_565 4_565 4_565 ? C5 C9 C14 106.7(5) 4_565 4_565 4_565 ? C5 C9 C17 131.4(6) 4_565 4_565 4_565 ? C5 C9 C18 74.7(4) 4_565 4_565 4_565 ? C5 C9 C18 130.1(6) 4_565 4_565 4_565 ? C5 C9 C33 64.8(4) 4_565 4_565 4_565 ? C5 C9 H2 121.2 4_565 4_565 4_565 no C5 C9 H2 15.1 4_565 4_565 4_565 no C5 C9 H4 14.8 4_565 4_565 4_565 no C5 C9 H5 53.5 4_565 4_565 4_565 no C5 C9 H7 79.3 4_565 4_565 4_565 no C5 C9 H8 94.3 4_565 4_565 4_565 no C5 C9 H9 108.8 4_565 4_565 4_565 no C5 C9 H10 70.7 4_565 4_565 4_565 no C5 C9 H11 68.7 4_565 4_565 4_565 no C5 C9 H12 124.6 4_565 4_565 4_565 no C5 C9 H15 116.8 4_565 4_565 4_565 no C5 C9 H16 115.5 4_565 4_565 4_565 no C5 C9 H29 169.3 4_565 4_565 4_565 no C5 C9 H29 62.7 4_565 4_565 4_565 no C7 C9 C8 28.2(9) . . . ? C7 C9 C10 91.6(11) . . . ? C7 C9 C11 60.2(6) . . . ? C7 C9 C12 30.1(4) . . . ? C7 C9 C13 121.9(10) . . . ? C7 C9 C14 146.6(10) . . . ? C7 C9 C17 109.9(8) . . . ? C7 C9 C18 112.0(8) . . . ? C7 C9 C18 89.4(7) . . . ? C7 C9 C33 138.5(7) . . . ? C7 C9 H2 46.2 . . . no C7 C9 H2 87.5 . . . no C7 C9 H4 65.9 . . . no C7 C9 H5 86.0 . . . no C7 C9 H7 88.8 . . . no C7 C9 H8 54.7 . . . no C7 C9 H9 150.0 . . . no C7 C9 H10 69.3 . . . no C7 C9 H11 30.2 . . . no C7 C9 H12 151.9 . . . no C7 C9 H15 116.5 . . . no C7 C9 H16 77.4 . . . no C7 C9 H29 95.1 . . . no C7 C9 H29 137.7 . . . no C8 C9 C10 119.7(17) . . . ? C8 C9 C11 88.4(12) . . . ? C8 C9 C12 58.3(10) . . . ? C8 C9 C13 150.1(15) . . . ? C8 C9 C14 166.2(12) . . . ? C8 C9 C17 83.6(12) . . . ? C8 C9 C18 140.0(13) . . . ? C8 C9 C18 64.0(11) . . . ? C8 C9 C33 131.6(12) . . . ? C8 C9 H2 42.1 . . . no C8 C9 H2 99.7 . . . no C8 C9 H4 71.2 . . . no C8 C9 H5 70.1 . . . no C8 C9 H7 64.1 . . . no C8 C9 H8 26.5 . . . no C8 C9 H9 121.8 . . . no C8 C9 H10 97.5 . . . no C8 C9 H11 58.4 . . . no C8 C9 H12 150.2 . . . no C8 C9 H15 88.4 . . . no C8 C9 H16 50.2 . . . no C8 C9 H29 88.7 . . . no C8 C9 H29 141.6 . . . no C10 C9 C11 31.5(8) . . . ? C10 C9 C12 61.6(10) . . . ? C10 C9 C13 30.3(10) . . . ? C10 C9 C14 57.5(11) . . . ? C10 C9 C17 146.3(12) . . . ? C10 C9 C18 23.0(9) . . . ? C10 C9 C18 150.8(10) . . . ? C10 C9 C33 91.0(10) . . . ? C10 C9 H2 104.5 . . . no C10 C9 H2 68.3 . . . no C10 C9 H4 90.1 . . . no C10 C9 H5 130.4 . . . no C10 C9 H7 156.5 . . . no C10 C9 H8 146.2 . . . no C10 C9 H9 118.4 . . . no C10 C9 H10 22.5 . . . no C10 C9 H11 61.5 . . . no C10 C9 H12 75.8 . . . no C10 C9 H15 150.2 . . . no C10 C9 H16 158.8 . . . no C10 C9 H29 97.9 . . . no C10 C9 H29 75.2 . . . no C11 C9 C12 30.1(4) . . . ? C11 C9 C13 61.8(8) . . . ? C11 C9 C14 88.7(8) . . . ? C11 C9 C17 156.2(7) . . . ? C11 C9 C18 52.5(6) . . . ? C11 C9 C18 140.4(7) . . . ? C11 C9 C33 112.4(7) . . . ? C11 C9 H2 83.2 . . . no C11 C9 H2 67.8 . . . no C11 C9 H4 75.8 . . . no C11 C9 H5 119.9 . . . no C11 C9 H7 140.3 . . . no C11 C9 H8 114.9 . . . no C11 C9 H9 149.8 . . . no C11 C9 H10 9.1 . . . no C11 C9 H11 30.0 . . . no C11 C9 H12 105.2 . . . no C11 C9 H15 172.4 . . . no C11 C9 H16 134.9 . . . no C11 C9 H29 101.7 . . . no C11 C9 H29 98.1 . . . no C12 C9 C13 91.9(8) . . . ? C12 C9 C14 118.0(9) . . . ? C12 C9 C17 136.7(7) . . . ? C12 C9 C18 82.2(6) . . . ? C12 C9 C18 116.2(7) . . . ? C12 C9 C33 130.6(6) . . . ? C12 C9 H2 62.3 . . . no C12 C9 H2 75.7 . . . no C12 C9 H4 67.5 . . . no C12 C9 H5 104.1 . . . no C12 C9 H7 115.5 . . . no C12 C9 H8 84.8 . . . no C12 C9 H9 178.2 . . . no C12 C9 H10 39.2 . . . no C12 C9 H11 0.7 . . . no C12 C9 H12 131.6 . . . no C12 C9 H15 146.2 . . . no C12 C9 H16 106.4 . . . no C12 C9 H29 99.9 . . . no C12 C9 H29 120.4 . . . no C13 C9 C14 28.8(4) . . . ? C13 C9 C17 122.5(7) . . . ? C13 C9 C18 13.5(5) . . . ? C13 C9 C18 138.6(7) . . . ? C13 C9 C33 68.4(5) . . . ? C13 C9 H2 124.6 . . . no C13 C9 H2 72.6 . . . no C13 C9 H4 101.5 . . . no C13 C9 H5 125.4 . . . no C13 C9 H7 141.8 . . . no C13 C9 H8 175.9 . . . no C13 C9 H9 88.1 . . . no C13 C9 H10 52.7 . . . no C13 C9 H11 91.8 . . . no C13 C9 H12 49.4 . . . no C13 C9 H15 120.8 . . . no C13 C9 H16 154.8 . . . no C13 C9 H29 94.6 . . . no C13 C9 H29 53.5 . . . no C14 C9 C17 93.8(5) . . . ? C14 C9 C18 41.7(5) . . . ? C14 C9 C18 111.2(5) . . . ? C14 C9 C33 61.7(5) . . . ? C14 C9 H2 124.1 . . . no C14 C9 H2 91.6 . . . no C14 C9 H4 121.0 . . . no C14 C9 H5 122.7 . . . no C14 C9 H7 124.5 . . . no C14 C9 H8 153.0 . . . no C14 C9 H9 62.4 . . . no C14 C9 H10 79.8 . . . no C14 C9 H11 118.1 . . . no C14 C9 H12 21.2 . . . no C14 C9 H15 92.8 . . . no C14 C9 H16 126.8 . . . no C14 C9 H29 78.6 . . . no C14 C9 H29 52.2 . . . no C17 C9 C18 135.4(6) 4_465 4_465 4_465 ? C17 C9 C18 20.7(3) 4_465 4_465 4_465 ? C17 C9 C33 89.4(5) 4_465 4_465 4_465 ? C17 C9 H2 75.8 4_465 4_465 4_465 no C17 C9 H2 135.7 4_465 4_465 4_465 no C17 C9 H4 122.0 4_465 4_465 4_465 no C17 C9 H5 78.2 4_465 4_465 4_465 no C17 C9 H7 53.3 4_465 4_465 4_465 no C17 C9 H8 59.4 4_465 4_465 4_465 no C17 C9 H9 44.4 4_465 4_465 4_465 no C17 C9 H10 157.7 4_465 4_465 4_465 no C17 C9 H11 137.1 4_465 4_465 4_465 no C17 C9 H12 73.3 4_465 4_465 4_465 no C17 C9 H15 16.3 4_465 4_465 4_465 no C17 C9 H16 33.5 4_465 4_465 4_465 no C17 C9 H29 55.9 4_465 4_465 4_465 no C17 C9 H29 102.1 4_465 4_465 4_465 no C18 C9 C18 152.1(6) . . . ? C18 C9 C33 68.9(4) . . . ? C18 C9 H2 126.1 . . . no C18 C9 H2 61.1 . . . no C18 C9 H4 89.1 . . . no C18 C9 H5 118.9 . . . no C18 C9 H7 140.6 . . . no C18 C9 H8 165.3 . . . no C18 C9 H9 97.5 . . . no C18 C9 H10 43.5 . . . no C18 C9 H11 82.0 . . . no C18 C9 H12 62.6 . . . no C18 C9 H15 131.5 . . . no C18 C9 H16 168.2 . . . no C18 C9 H29 105.4 . . . no C18 C9 H29 53.1 . . . no C18 C9 C33 107.2(5) 4_465 4_465 4_465 ? C18 C9 H2 57.2 4_465 4_465 4_465 no C18 C9 H2 140.9 4_465 4_465 4_465 no C18 C9 H4 116.7 4_465 4_465 4_465 no C18 C9 H5 78.7 4_465 4_465 4_465 no C18 C9 H7 52.7 4_465 4_465 4_465 no C18 C9 H8 42.2 4_465 4_465 4_465 no C18 C9 H9 64.8 4_465 4_465 4_465 no C18 C9 H10 146.5 4_465 4_465 4_465 no C18 C9 H11 116.6 4_465 4_465 4_465 no C18 C9 H12 90.0 4_465 4_465 4_465 no C18 C9 H15 32.7 4_465 4_465 4_465 no C18 C9 H16 16.2 4_465 4_465 4_465 no C18 C9 H29 53.0 4_465 4_465 4_465 no C18 C9 H29 121.3 4_465 4_465 4_465 no C33 C9 H2 164.1 1_545 1_545 1_545 no C33 C9 H2 55.5 1_545 1_545 1_545 no C33 C9 H4 72.7 1_545 1_545 1_545 no C33 C9 H5 61.6 1_545 1_545 1_545 no C33 C9 H7 73.5 1_545 1_545 1_545 no C33 C9 H8 115.7 1_545 1_545 1_545 no C33 C9 H9 47.8 1_545 1_545 1_545 no C33 C9 H10 105.8 1_545 1_545 1_545 no C33 C9 H11 129.9 1_545 1_545 1_545 no C33 C9 H12 67.8 1_545 1_545 1_545 no C33 C9 H15 74.7 1_545 1_545 1_545 no C33 C9 H16 109.3 1_545 1_545 1_545 no C33 C9 H29 125.5 1_545 1_545 1_545 no C33 C9 H29 15.8 1_545 1_545 1_545 no H2 C9 H2 133.6 . . . no H2 C9 H4 110.1 . . . no H2 C9 H5 108.8 . . . no H2 C9 H7 92.7 . . . no H2 C9 H8 51.6 . . . no H2 C9 H9 119.2 . . . no H2 C9 H10 90.0 . . . no H2 C9 H11 62.9 . . . no H2 C9 H12 112.2 . . . no H2 C9 H15 89.9 . . . no H2 C9 H16 55.0 . . . no H2 C9 H29 49.8 . . . no H2 C9 H29 175.9 . . . no H2 C9 H4 29.7 4_565 4_565 4_565 no H2 C9 H5 62.2 4_565 4_565 4_565 no H2 C9 H7 88.2 4_565 4_565 4_565 no H2 C9 H8 108.9 4_565 4_565 4_565 no H2 C9 H9 102.6 4_565 4_565 4_565 no H2 C9 H10 66.3 4_565 4_565 4_565 no H2 C9 H11 75.0 4_565 4_565 4_565 no H2 C9 H12 109.9 4_565 4_565 4_565 no H2 C9 H15 119.5 4_565 4_565 4_565 no H2 C9 H16 128.2 4_565 4_565 4_565 no H2 C9 H29 166.1 4_565 4_565 4_565 no H2 C9 H29 50.2 4_565 4_565 4_565 no H4 C9 H5 44.4 4_565 4_565 4_565 no H4 C9 H7 68.7 4_565 4_565 4_565 no H4 C9 H8 79.5 4_565 4_565 4_565 no H4 C9 H9 110.7 4_565 4_565 4_565 no H4 C9 H10 78.9 4_565 4_565 4_565 no H4 C9 H11 66.8 4_565 4_565 4_565 no H4 C9 H12 137.5 4_565 4_565 4_565 no H4 C9 H15 109.6 4_565 4_565 4_565 no H4 C9 H16 101.5 4_565 4_565 4_565 no H4 C9 H29 159.7 4_565 4_565 4_565 no H4 C9 H29 73.9 4_565 4_565 4_565 no H5 C9 H7 26.1 3_665 3_665 3_665 no H5 C9 H8 58.0 3_665 3_665 3_665 no H5 C9 H9 74.4 3_665 3_665 3_665 no H5 C9 H10 123.2 3_665 3_665 3_665 no H5 C9 H11 103.6 3_665 3_665 3_665 no H5 C9 H12 121.3 3_665 3_665 3_665 no H5 C9 H15 65.2 3_665 3_665 3_665 no H5 C9 H16 67.5 3_665 3_665 3_665 no H5 C9 H29 131.6 3_665 3_665 3_665 no H5 C9 H29 74.0 3_665 3_665 3_665 no H7 C9 H8 42.4 3_665 3_665 3_665 no H7 C9 H9 63.7 3_665 3_665 3_665 no H7 C9 H10 146.3 3_665 3_665 3_665 no H7 C9 H11 115.3 3_665 3_665 3_665 no H7 C9 H12 112.7 3_665 3_665 3_665 no H7 C9 H15 42.7 3_665 3_665 3_665 no H7 C9 H16 42.9 3_665 3_665 3_665 no H7 C9 H29 105.5 3_665 3_665 3_665 no H7 C9 H29 88.8 3_665 3_665 3_665 no H8 C9 H9 95.3 . . . no H8 C9 H10 124.0 . . . no H8 C9 H11 84.9 . . . no H8 C9 H12 132.1 . . . no H8 C9 H15 62.1 . . . no H8 C9 H16 26.3 . . . no H8 C9 H29 83.6 . . . no H8 C9 H29 130.5 . . . no H9 C9 H10 140.7 . . . no H9 C9 H11 177.4 . . . no H9 C9 H12 49.4 . . . no H9 C9 H15 34.3 . . . no H9 C9 H16 74.2 . . . no H9 C9 H29 81.9 . . . no H9 C9 H29 58.3 . . . no H10 C9 H11 39.1 . . . no H10 C9 H12 97.1 . . . no H10 C9 H15 171.0 . . . no H10 C9 H16 143.3 . . . no H10 C9 H29 101.8 . . . no H10 C9 H29 90.8 . . . no H11 C9 H12 131.9 . . . no H11 C9 H15 146.5 . . . no H11 C9 H16 106.7 . . . no H11 C9 H29 100.7 . . . no H11 C9 H29 119.8 . . . no H12 C9 H15 74.7 . . . no H12 C9 H16 105.8 . . . no H12 C9 H29 62.8 . . . no H12 C9 H29 63.8 . . . no H15 C9 H16 39.9 4_465 4_465 4_465 no H15 C9 H29 71.4 4_465 4_465 4_465 no H15 C9 H29 88.6 4_465 4_465 4_465 no H16 C9 H29 65.7 4_465 4_465 4_465 no H16 C9 H29 124.9 4_465 4_465 4_465 no H29 C9 H29 126.1 4_475 4_475 4_475 no C5 C10 C7 72.5(5) 4_565 4_565 4_565 ? C5 C10 C8 76.0(5) 4_565 4_565 4_565 ? C5 C10 C9 81.5(9) 4_565 4_565 4_565 ? C5 C10 C11 76.9(9) 4_565 4_565 4_565 ? C5 C10 C12 72.8(5) 4_565 4_565 4_565 ? C5 C10 C13 106.8(8) 4_565 4_565 4_565 ? C5 C10 C14 119.3(6) 4_565 4_565 4_565 ? C5 C10 C15 113.8(5) 4_565 4_565 4_565 ? C5 C10 C17 96.0(4) 4_565 4_565 4_565 ? C5 C10 C18 90.6(5) 4_565 4_565 4_565 ? C5 C10 H2 13.6 4_565 4_565 4_565 no C5 C10 H4 16.0 4_565 4_565 4_565 no C5 C10 H8 78.4 4_565 4_565 4_565 no C5 C10 H9 88.9 4_565 4_565 4_565 no C5 C10 H10 84.2 4_565 4_565 4_565 no C5 C10 H11 73.6 4_565 4_565 4_565 no C5 C10 H12 125.8 4_565 4_565 4_565 no C5 C10 H16 79.4 4_565 4_565 4_565 no C5 C10 H29 64.1 4_565 4_565 4_565 no C5 C10 H30 144.5 4_565 4_565 4_565 no C7 C10 C8 28.9(4) . . . ? C7 C10 C9 59.0(9) . . . ? C7 C10 C11 58.0(9) . . . ? C7 C10 C12 29.0(4) . . . ? C7 C10 C13 179.2(11) . . . ? C7 C10 C14 150.6(9) . . . ? C7 C10 C15 162.3(8) . . . ? C7 C10 C17 161.3(8) . . . ? C7 C10 C18 149.9(10) . . . ? C7 C10 H2 86.0 . . . no C7 C10 H4 58.8 . . . no C7 C10 H8 38.6 . . . no C7 C10 H9 85.3 . . . no C7 C10 H10 84.4 . . . no C7 C10 H11 38.4 . . . no C7 C10 H12 127.9 . . . no C7 C10 H16 126.4 . . . no C7 C10 H29 126.3 . . . no C7 C10 H30 73.5 . . . no C8 C10 C9 30.2(9) . . . ? C8 C10 C11 86.8(11) . . . ? C8 C10 C12 57.9(6) . . . ? C8 C10 C13 151.3(16) . . . ? C8 C10 C14 123.4(10) . . . ? C8 C10 C15 134.2(9) . . . ? C8 C10 C17 163.4(9) . . . ? C8 C10 C18 165.9(8) . . . ? C8 C10 H2 87.5 . . . no C8 C10 H4 60.1 . . . no C8 C10 H8 9.7 . . . no C8 C10 H9 56.5 . . . no C8 C10 H10 113.2 . . . no C8 C10 H11 67.3 . . . no C8 C10 H12 101.9 . . . no C8 C10 H16 150.6 . . . no C8 C10 H29 107.6 . . . no C8 C10 H30 79.2 . . . no C9 C10 C11 116.9(15) . . . ? C9 C10 C12 88.0(11) . . . ? C9 C10 C13 121.1(18) . . . ? C9 C10 C14 94.5(13) . . . ? C9 C10 C15 104.5(12) . . . ? C9 C10 C17 135.2(13) . . . ? C9 C10 C18 144.4(14) . . . ? C9 C10 H2 87.7 . . . no C9 C10 H4 67.8 . . . no C9 C10 H8 20.6 . . . no C9 C10 H9 26.3 . . . no C9 C10 H10 143.2 . . . no C9 C10 H11 97.4 . . . no C9 C10 H12 75.0 . . . no C9 C10 H16 156.3 . . . no C9 C10 H29 84.0 . . . no C9 C10 H30 89.7 . . . no C11 C10 C12 29.0(8) . . . ? C11 C10 C13 121.8(17) . . . ? C11 C10 C14 147.3(14) . . . ? C11 C10 C15 138.5(12) . . . ? C11 C10 C17 105.7(11) . . . ? C11 C10 C18 94.5(12) . . . ? C11 C10 H2 84.5 . . . no C11 C10 H4 77.3 . . . no C11 C10 H8 96.6 . . . no C11 C10 H9 143.1 . . . no C11 C10 H10 26.4 . . . no C11 C10 H11 19.6 . . . no C11 C10 H12 156.9 . . . no C11 C10 H16 71.9 . . . no C11 C10 H29 132.5 . . . no C11 C10 H30 76.7 . . . no C12 C10 C13 150.8(15) . . . ? C12 C10 C14 167.9(8) . . . ? C12 C10 C15 166.4(9) . . . ? C12 C10 C17 134.2(9) . . . ? C12 C10 C18 122.8(10) . . . ? C12 C10 H2 84.9 . . . no C12 C10 H4 65.4 . . . no C12 C10 H8 67.6 . . . no C12 C10 H9 114.3 . . . no C12 C10 H10 55.4 . . . no C12 C10 H11 9.4 . . . no C12 C10 H12 151.0 . . . no C12 C10 H16 99.4 . . . no C12 C10 H29 136.9 . . . no C12 C10 H30 72.5 . . . no C13 C10 C14 29.9(9) . . . ? C13 C10 C15 18.2(10) . . . ? C13 C10 C17 18.1(10) . . . ? C13 C10 C18 29.5(9) . . . ? C13 C10 H2 93.2 . . . no C13 C10 H4 120.5 . . . no C13 C10 H8 141.6 . . . no C13 C10 H9 94.8 . . . no C13 C10 H10 95.4 . . . no C13 C10 H11 141.3 . . . no C13 C10 H12 52.6 . . . no C13 C10 H16 53.0 . . . no C13 C10 H29 53.1 . . . no C13 C10 H30 107.2 . . . no C14 C10 C15 11.9(4) . . . ? C14 C10 C17 47.9(5) . . . ? C14 C10 C18 59.4(7) . . . ? C14 C10 H2 107.0 . . . no C14 C10 H4 126.4 . . . no C14 C10 H8 113.9 . . . no C14 C10 H9 69.0 . . . no C14 C10 H10 122.0 . . . no C14 C10 H11 163.8 . . . no C14 C10 H12 22.8 . . . no C14 C10 H16 82.9 . . . no C14 C10 H29 55.2 . . . no C14 C10 H30 95.6 . . . no C15 C10 C17 36.1(4) . . . ? C15 C10 C18 47.6(5) . . . ? C15 C10 H2 100.6 . . . no C15 C10 H4 123.9 . . . no C15 C10 H8 124.5 . . . no C15 C10 H9 78.4 . . . no C15 C10 H10 112.3 . . . no C15 C10 H11 157.7 . . . no C15 C10 H12 34.6 . . . no C15 C10 H16 71.2 . . . no C15 C10 H29 51.6 . . . no C15 C10 H30 101.8 . . . no C17 C10 C18 11.6(5) . . . ? C17 C10 H2 83.1 . . . no C17 C10 H4 111.4 . . . no C17 C10 H8 155.2 . . . no C17 C10 H9 109.5 . . . no C17 C10 H10 79.8 . . . no C17 C10 H11 125.0 . . . no C17 C10 H12 70.7 . . . no C17 C10 H16 35.1 . . . no C17 C10 H29 56.0 . . . no C17 C10 H30 113.8 . . . no C18 C10 H2 78.7 . . . no C18 C10 H4 106.5 . . . no C18 C10 H8 162.1 . . . no C18 C10 H9 119.8 . . . no C18 C10 H10 69.0 . . . no C18 C10 H11 113.6 . . . no C18 C10 H12 82.1 . . . no C18 C10 H16 23.6 . . . no C18 C10 H29 61.6 . . . no C18 C10 H30 114.8 . . . no H2 C10 H4 28.3 4_565 4_565 4_565 no H2 C10 H8 88.5 4_565 4_565 4_565 no H2 C10 H9 89.2 4_565 4_565 4_565 no H2 C10 H10 86.0 4_565 4_565 4_565 no H2 C10 H11 84.5 4_565 4_565 4_565 no H2 C10 H12 116.9 4_565 4_565 4_565 no H2 C10 H16 70.8 4_565 4_565 4_565 no H2 C10 H29 52.5 4_565 4_565 4_565 no H2 C10 H30 157.4 4_565 4_565 4_565 no H4 C10 H8 62.7 4_565 4_565 4_565 no H4 C10 H9 80.1 4_565 4_565 4_565 no H4 C10 H10 91.1 4_565 4_565 4_565 no H4 C10 H11 68.7 4_565 4_565 4_565 no H4 C10 H12 125.6 4_565 4_565 4_565 no H4 C10 H16 94.7 4_565 4_565 4_565 no H4 C10 H29 72.3 4_565 4_565 4_565 no H4 C10 H30 132.3 4_565 4_565 4_565 no H8 C10 H9 46.9 . . . no H8 C10 H10 122.9 . . . no H8 C10 H11 77.0 . . . no H8 C10 H12 92.9 . . . no H8 C10 H16 156.8 . . . no H8 C10 H29 100.7 . . . no H8 C10 H30 81.5 . . . no H9 C10 H10 169.0 . . . no H9 C10 H11 123.7 . . . no H9 C10 H12 51.8 . . . no H9 C10 H16 139.1 . . . no H9 C10 H29 64.6 . . . no H9 C10 H30 98.3 . . . no H10 C10 H11 45.9 . . . no H10 C10 H12 139.0 . . . no H10 C10 H16 47.7 . . . no H10 C10 H29 119.2 . . . no H10 C10 H30 82.6 . . . no H11 C10 H12 156.4 . . . no H11 C10 H16 90.4 . . . no H11 C10 H29 137.0 . . . no H11 C10 H30 73.5 . . . no H12 C10 H16 105.5 . . . no H12 C10 H29 65.4 . . . no H12 C10 H30 83.9 . . . no H16 C10 H29 75.1 . . . no H16 C10 H30 113.9 . . . no H29 C10 H30 149.3 1_545 1_545 1_545 no O1 C11 N1 98.0(5) 2_655 2_655 2_655 ? O1 C11 N2 35.4(3) 2_655 2_655 2_655 ? O1 C11 C2 68.9(4) 2_655 2_655 2_655 ? O1 C11 C5 91.2(5) 2_655 2_655 2_655 ? O1 C11 C7 108.0(9) 2_655 2_655 2_655 ? O1 C11 C8 137.2(8) 2_655 2_655 2_655 ? O1 C11 C9 163.5(8) 2_655 2_655 2_655 ? O1 C11 C10 156.6(11) 2_655 2_655 2_655 ? O1 C11 C12 79.6(11) 2_655 2_655 2_655 ? O1 C11 C13 128.1(6) 2_655 2_655 2_655 ? O1 C11 C14 139.7(5) 2_655 2_655 2_655 ? O1 C11 C18 99.9(5) 2_655 2_655 2_655 ? O1 C11 H1 38.3 2_655 2_655 2_655 no O1 C11 H2 97.5 2_655 2_655 2_655 no O1 C11 H3 94.0 2_655 2_655 2_655 no O1 C11 H4 98.9 2_655 2_655 2_655 no O1 C11 H6 77.3 2_655 2_655 2_655 no O1 C11 H8 137.6 2_655 2_655 2_655 no O1 C11 H8 71.0 2_655 2_655 2_655 no O1 C11 H9 166.5 2_655 2_655 2_655 no O1 C11 H10 41.2 2_655 2_655 2_655 no O1 C11 H11 53.9 2_655 2_655 2_655 no O1 C11 H16 78.9 2_655 2_655 2_655 no O1 C11 H30 111.5 2_655 2_655 2_655 no N1 C11 N2 131.8(5) . . . ? N1 C11 C2 83.0(4) . . . ? N1 C11 C5 80.9(4) . . . ? N1 C11 C7 10.6(6) . . . ? N1 C11 C8 40.7(5) . . . ? N1 C11 C9 71.7(6) . . . ? N1 C11 C10 103.1(10) . . . ? N1 C11 C12 18.5(9) . . . ? N1 C11 C13 133.2(7) . . . ? N1 C11 C14 122.3(5) . . . ? N1 C11 C18 157.8(7) . . . ? N1 C11 H1 90.5 . . . no N1 C11 H2 94.4 . . . no N1 C11 H3 43.7 . . . no N1 C11 H4 65.8 . . . no N1 C11 H6 110.4 . . . no N1 C11 H8 41.1 . . . no N1 C11 H8 133.8 . . . no N1 C11 H9 81.0 . . . no N1 C11 H10 137.6 . . . no N1 C11 H11 44.7 . . . no N1 C11 H16 162.1 . . . no N1 C11 H30 79.4 . . . no N2 C11 C2 70.2(4) 2_655 2_655 2_655 ? N2 C11 C5 87.2(4) 2_655 2_655 2_655 ? N2 C11 C7 140.7(8) 2_655 2_655 2_655 ? N2 C11 C8 160.8(6) 2_655 2_655 2_655 ? N2 C11 C9 148.2(7) 2_655 2_655 2_655 ? N2 C11 C10 121.4(11) 2_655 2_655 2_655 ? N2 C11 C12 114.2(12) 2_655 2_655 2_655 ? N2 C11 C13 92.8(6) 2_655 2_655 2_655 ? N2 C11 C14 105.0(5) 2_655 2_655 2_655 ? N2 C11 C18 64.5(4) 2_655 2_655 2_655 ? N2 C11 H1 60.8 2_655 2_655 2_655 no N2 C11 H2 84.3 2_655 2_655 2_655 no N2 C11 H3 124.5 2_655 2_655 2_655 no N2 C11 H4 101.8 2_655 2_655 2_655 no N2 C11 H6 77.6 2_655 2_655 2_655 no N2 C11 H8 160.9 2_655 2_655 2_655 no N2 C11 H8 42.6 2_655 2_655 2_655 no N2 C11 H9 140.3 2_655 2_655 2_655 no N2 C11 H10 18.8 2_655 2_655 2_655 no N2 C11 H11 89.2 2_655 2_655 2_655 no N2 C11 H16 43.5 2_655 2_655 2_655 no N2 C11 H30 121.1 2_655 2_655 2_655 no C2 C11 C5 22.4(3) 4_565 4_565 4_565 ? C2 C11 C7 84.0(6) 4_565 4_565 4_565 ? C2 C11 C8 90.6(6) 4_565 4_565 4_565 ? C2 C11 C9 96.6(6) 4_565 4_565 4_565 ? C2 C11 C10 103.6(10) 4_565 4_565 4_565 ? C2 C11 C12 78.9(9) 4_565 4_565 4_565 ? C2 C11 C13 104.1(6) 4_565 4_565 4_565 ? C2 C11 C14 112.4(5) 4_565 4_565 4_565 ? C2 C11 C18 91.1(5) 4_565 4_565 4_565 ? C2 C11 H1 105.1 4_565 4_565 4_565 no C2 C11 H2 32.8 4_565 4_565 4_565 no C2 C11 H3 122.2 4_565 4_565 4_565 no C2 C11 H4 32.5 4_565 4_565 4_565 no C2 C11 H6 145.2 4_565 4_565 4_565 no C2 C11 H8 90.8 4_565 4_565 4_565 no C2 C11 H8 50.9 4_565 4_565 4_565 no C2 C11 H9 97.7 4_565 4_565 4_565 no C2 C11 H10 88.9 4_565 4_565 4_565 no C2 C11 H11 75.8 4_565 4_565 4_565 no C2 C11 H16 79.4 4_565 4_565 4_565 no C2 C11 H30 162.3 4_565 4_565 4_565 no C5 C11 C7 77.8(5) 4_565 4_565 4_565 ? C5 C11 C8 74.4(5) 4_565 4_565 4_565 ? C5 C11 C9 74.7(5) 4_565 4_565 4_565 ? C5 C11 C10 82.4(9) 4_565 4_565 4_565 ? C5 C11 C12 84.0(9) 4_565 4_565 4_565 ? C5 C11 C13 89.2(6) 4_565 4_565 4_565 ? C5 C11 C14 94.5(5) 4_565 4_565 4_565 ? C5 C11 C18 85.5(5) 4_565 4_565 4_565 ? C5 C11 H1 127.2 4_565 4_565 4_565 no C5 C11 H2 15.8 4_565 4_565 4_565 no C5 C11 H3 124.5 4_565 4_565 4_565 no C5 C11 H4 16.3 4_565 4_565 4_565 no C5 C11 H6 164.7 4_565 4_565 4_565 no C5 C11 H8 74.5 4_565 4_565 4_565 no C5 C11 H8 55.6 4_565 4_565 4_565 no C5 C11 H9 75.3 4_565 4_565 4_565 no C5 C11 H10 105.6 4_565 4_565 4_565 no C5 C11 H11 90.1 4_565 4_565 4_565 no C5 C11 H16 81.5 4_565 4_565 4_565 no C5 C11 H30 151.7 4_565 4_565 4_565 no C7 C11 C8 30.2(4) . . . ? C7 C11 C9 61.2(6) . . . ? C7 C11 C10 92.7(11) . . . ? C7 C11 C12 29.0(9) . . . ? C7 C11 C13 122.7(10) . . . ? C7 C11 C14 112.2(8) . . . ? C7 C11 C18 147.6(9) . . . ? C7 C11 H1 100.4 . . . no C7 C11 H2 89.7 . . . no C7 C11 H3 48.2 . . . no C7 C11 H4 61.9 . . . no C7 C11 H6 115.2 . . . no C7 C11 H8 30.6 . . . no C7 C11 H8 133.0 . . . no C7 C11 H9 70.4 . . . no C7 C11 H10 148.1 . . . no C7 C11 H11 55.2 . . . no C7 C11 H16 158.3 . . . no C7 C11 H30 79.1 . . . no C8 C11 C9 30.9(4) . . . ? C8 C11 C10 62.4(10) . . . ? C8 C11 C12 59.2(9) . . . ? C8 C11 C13 92.5(9) . . . ? C8 C11 C14 82.4(7) . . . ? C8 C11 C18 118.3(9) . . . ? C8 C11 H1 127.0 . . . no C8 C11 H2 79.5 . . . no C8 C11 H3 64.9 . . . no C8 C11 H4 59.3 . . . no C8 C11 H6 120.9 . . . no C8 C11 H8 0.3 . . . no C8 C11 H8 124.7 . . . no C8 C11 H9 40.2 . . . no C8 C11 H10 178.4 . . . no C8 C11 H11 85.4 . . . no C8 C11 H16 135.6 . . . no C8 C11 H30 77.3 . . . no C9 C11 C10 31.6(8) . . . ? C9 C11 C12 90.2(11) . . . ? C9 C11 C13 61.5(8) . . . ? C9 C11 C14 52.1(6) . . . ? C9 C11 C18 87.8(8) . . . ? C9 C11 H1 150.1 . . . no C9 C11 H2 71.2 . . . no C9 C11 H3 87.3 . . . no C9 C11 H4 65.3 . . . no C9 C11 H6 118.0 . . . no C9 C11 H8 30.6 . . . no C9 C11 H8 106.5 . . . no C9 C11 H9 9.3 . . . no C9 C11 H10 150.7 . . . no C9 C11 H11 116.3 . . . no C9 C11 H16 106.9 . . . no C9 C11 H30 79.8 . . . no C10 C11 C12 121.7(15) . . . ? C10 C11 C13 30.0(9) . . . ? C10 C11 C14 21.2(9) . . . ? C10 C11 C18 57.3(10) . . . ? C10 C11 H1 149.5 . . . no C10 C11 H2 71.1 . . . no C10 C11 H3 108.3 . . . no C10 C11 H4 80.9 . . . no C10 C11 H6 104.1 . . . no C10 C11 H8 62.1 . . . no C10 C11 H8 87.0 . . . no C10 C11 H9 22.4 . . . no C10 C11 H10 119.2 . . . no C10 C11 H11 147.8 . . . no C10 C11 H16 78.0 . . . no C10 C11 H30 82.5 . . . no C12 C11 C13 151.7(13) . . . ? C12 C11 C14 140.6(11) . . . ? C12 C11 C18 169.5(11) . . . ? C12 C11 H1 74.4 . . . no C12 C11 H2 99.4 . . . no C12 C11 H3 43.3 . . . no C12 C11 H4 71.6 . . . no C12 C11 H6 103.5 . . . no C12 C11 H8 59.6 . . . no C12 C11 H8 128.0 . . . no C12 C11 H9 99.4 . . . no C12 C11 H10 119.1 . . . no C12 C11 H11 26.2 . . . no C12 C11 H16 153.7 . . . no C12 C11 H30 83.8 . . . no C13 C11 C14 13.1(5) . . . ? C13 C11 C18 28.5(4) . . . ? C13 C11 H1 129.7 . . . no C13 C11 H2 73.9 . . . no C13 C11 H3 127.1 . . . no C13 C11 H4 95.5 . . . no C13 C11 H6 90.0 . . . no C13 C11 H8 92.1 . . . no C13 C11 H8 67.0 . . . no C13 C11 H9 52.3 . . . no C13 C11 H10 89.2 . . . no C13 C11 H11 177.8 . . . no C13 C11 H16 49.9 . . . no C13 C11 H30 89.5 . . . no C14 C11 C18 41.2(5) . . . ? C14 C11 H1 131.9 . . . no C14 C11 H2 80.3 . . . no C14 C11 H3 114.7 . . . no C14 C11 H4 97.4 . . . no C14 C11 H6 88.0 . . . no C14 C11 H8 82.0 . . . no C14 C11 H8 79.7 . . . no C14 C11 H9 43.2 . . . no C14 C11 H10 99.2 . . . no C14 C11 H11 165.3 . . . no C14 C11 H16 62.7 . . . no C14 C11 H30 79.2 . . . no C18 C11 H1 111.7 . . . no C18 C11 H2 70.2 . . . no C18 C11 H3 146.7 . . . no C18 C11 H4 98.2 . . . no C18 C11 H6 86.5 . . . no C18 C11 H8 118.0 . . . no C18 C11 H8 43.5 . . . no C18 C11 H9 78.6 . . . no C18 C11 H10 63.3 . . . no C18 C11 H11 153.4 . . . no C18 C11 H16 21.5 . . . no C18 C11 H30 105.9 . . . no H1 C11 H2 135.7 3_675 3_675 3_675 no H1 C11 H3 63.9 3_675 3_675 3_675 no H1 C11 H4 129.5 3_675 3_675 3_675 no H1 C11 H6 45.4 3_675 3_675 3_675 no H1 C11 H8 127.3 3_675 3_675 3_675 no H1 C11 H8 103.2 3_675 3_675 3_675 no H1 C11 H9 154.6 3_675 3_675 3_675 no H1 C11 H10 51.7 3_675 3_675 3_675 no H1 C11 H11 52.2 3_675 3_675 3_675 no H1 C11 H16 97.3 3_675 3_675 3_675 no H1 C11 H30 73.3 3_675 3_675 3_675 no H2 C11 H3 137.8 4_565 4_565 4_565 no H2 C11 H4 28.6 4_565 4_565 4_565 no H2 C11 H6 155.1 4_565 4_565 4_565 no H2 C11 H8 79.4 4_565 4_565 4_565 no H2 C11 H8 46.1 4_565 4_565 4_565 no H2 C11 H9 69.2 4_565 4_565 4_565 no H2 C11 H10 101.0 4_565 4_565 4_565 no H2 C11 H11 105.5 4_565 4_565 4_565 no H2 C11 H16 68.9 4_565 4_565 4_565 no H2 C11 H30 150.8 4_565 4_565 4_565 no H3 C11 H4 109.4 . . . no H3 C11 H6 67.1 . . . no H3 C11 H8 65.2 . . . no H3 C11 H8 164.7 . . . no H3 C11 H9 94.4 . . . no H3 C11 H10 114.0 . . . no H3 C11 H11 52.0 . . . no H3 C11 H16 153.4 . . . no H3 C11 H30 40.8 . . . no H4 C11 H6 174.5 4_565 4_565 4_565 no H4 C11 H8 59.3 4_565 4_565 4_565 no H4 C11 H8 71.8 4_565 4_565 4_565 no H4 C11 H9 68.3 4_565 4_565 4_565 no H4 C11 H10 120.5 4_565 4_565 4_565 no H4 C11 H11 83.2 4_565 4_565 4_565 no H4 C11 H16 97.1 4_565 4_565 4_565 no H4 C11 H30 136.5 4_565 4_565 4_565 no H6 C11 H8 120.8 3_675 3_675 3_675 no H6 C11 H8 110.4 3_675 3_675 3_675 no H6 C11 H9 115.7 3_675 3_675 3_675 no H6 C11 H10 59.1 3_675 3_675 3_675 no H6 C11 H11 91.3 3_675 3_675 3_675 no H6 C11 H16 86.3 3_675 3_675 3_675 no H6 C11 H30 43.6 3_675 3_675 3_675 no H8 C11 H8 124.5 . . . no H8 C11 H9 39.9 . . . no H8 C11 H10 178.7 . . . no H8 C11 H11 85.7 . . . no H8 C11 H16 135.3 . . . no H8 C11 H30 77.3 . . . no H8 C11 H9 100.0 4_565 4_565 4_565 no H8 C11 H10 56.1 4_565 4_565 4_565 no H8 C11 H11 114.2 4_565 4_565 4_565 no H8 C11 H16 28.5 4_565 4_565 4_565 no H8 C11 H30 146.7 4_565 4_565 4_565 no H9 C11 H10 141.4 . . . no H9 C11 H11 125.5 . . . no H9 C11 H16 98.0 . . . no H9 C11 H30 81.6 . . . no H10 C11 H11 93.0 . . . no H10 C11 H16 45.8 . . . no H10 C11 H30 102.7 . . . no H11 C11 H16 131.9 . . . no H11 C11 H30 90.2 . . . no H16 C11 H30 118.2 . . . no O1 C12 O1 114.7(4) . . . ? O1 C12 N1 41.5(5) . . . ? O1 C12 C1 21.2(3) . . . ? O1 C12 C2 63.2(5) . . . ? O1 C12 C2 62.2(4) . . . ? O1 C12 C3 53.3(4) . . . ? O1 C12 C3 134.3(6) . . . ? O1 C12 C5 87.5(5) . . . ? O1 C12 C5 57.7(3) . . . ? O1 C12 C5 96.6(5) . . . ? O1 C12 C7 46.1(9) . . . ? O1 C12 C8 65.4(7) . . . ? O1 C12 C9 88.0(6) . . . ? O1 C12 C10 112.1(7) . . . ? O1 C12 C11 130.7(11) . . . ? O1 C12 C13 119.7(5) . . . ? O1 C12 H1 37.5 . . . no O1 C12 H1 137.7 . . . no O1 C12 H2 88.7 . . . no O1 C12 H2 72.2 . . . no O1 C12 H3 102.6 . . . no O1 C12 H3 84.6 . . . no O1 C12 H4 44.9 . . . no O1 C12 H4 95.8 . . . no O1 C12 H8 59.1 . . . no O1 C12 H9 87.7 . . . no O1 C12 H10 140.1 . . . no O1 C12 H11 90.7 . . . no O1 C12 H16 124.4 . . . no O1 C12 H30 133.6 . . . no O1 C12 N1 132.6(7) 2_655 2_655 2_655 ? O1 C12 C1 119.4(6) 2_655 2_655 2_655 ? O1 C12 C2 127.6(6) 2_655 2_655 2_655 ? O1 C12 C2 68.8(4) 2_655 2_655 2_655 ? O1 C12 C3 65.7(4) 2_655 2_655 2_655 ? O1 C12 C3 53.4(4) 2_655 2_655 2_655 ? O1 C12 C5 127.6(5) 2_655 2_655 2_655 ? O1 C12 C5 88.7(4) 2_655 2_655 2_655 ? O1 C12 C5 58.4(4) 2_655 2_655 2_655 ? O1 C12 C7 158.9(13) 2_655 2_655 2_655 ? O1 C12 C8 161.7(8) 2_655 2_655 2_655 ? O1 C12 C9 133.9(8) 2_655 2_655 2_655 ? O1 C12 C10 104.8(8) 2_655 2_655 2_655 ? O1 C12 C11 75.9(11) 2_655 2_655 2_655 ? O1 C12 C13 94.0(5) 2_655 2_655 2_655 ? O1 C12 H1 78.6 2_655 2_655 2_655 no O1 C12 H1 38.7 2_655 2_655 2_655 no O1 C12 H2 141.9 2_655 2_655 2_655 no O1 C12 H2 88.0 2_655 2_655 2_655 no O1 C12 H3 111.6 2_655 2_655 2_655 no O1 C12 H3 73.0 2_655 2_655 2_655 no O1 C12 H4 101.8 2_655 2_655 2_655 no O1 C12 H4 45.1 2_655 2_655 2_655 no O1 C12 H8 167.2 2_655 2_655 2_655 no O1 C12 H9 133.7 2_655 2_655 2_655 no O1 C12 H10 50.1 2_655 2_655 2_655 no O1 C12 H11 45.0 2_655 2_655 2_655 no O1 C12 H16 62.1 2_655 2_655 2_655 no O1 C12 H30 108.2 2_655 2_655 2_655 no N1 C12 C1 22.4(4) . . . ? N1 C12 C2 22.2(4) . . . ? N1 C12 C2 103.5(6) . . . ? N1 C12 C3 91.2(6) . . . ? N1 C12 C3 108.9(6) . . . ? N1 C12 C5 46.1(5) . . . ? N1 C12 C5 97.5(6) . . . ? N1 C12 C5 81.4(5) . . . ? N1 C12 C7 29.1(10) . . . ? N1 C12 C8 60.8(8) . . . ? N1 C12 C9 91.4(8) . . . ? N1 C12 C10 121.7(9) . . . ? N1 C12 C11 151.1(13) . . . ? N1 C12 C13 132.7(7) . . . ? N1 C12 H1 74.3 . . . no N1 C12 H1 122.4 . . . no N1 C12 H2 50.9 . . . no N1 C12 H2 109.6 . . . no N1 C12 H3 61.3 . . . no N1 C12 H3 65.6 . . . no N1 C12 H4 83.0 . . . no N1 C12 H4 90.7 . . . no N1 C12 H8 51.7 . . . no N1 C12 H9 91.4 . . . no N1 C12 H10 177.1 . . . no N1 C12 H11 89.0 . . . no N1 C12 H16 159.9 . . . no N1 C12 H30 95.5 . . . no C1 C12 C2 42.7(5) . . . ? C1 C12 C2 81.6(5) . . . ? C1 C12 C3 68.8(5) . . . ? C1 C12 C3 118.0(6) . . . ? C1 C12 C5 68.0(6) . . . ? C1 C12 C5 79.0(5) . . . ? C1 C12 C5 82.7(5) . . . ? C1 C12 C7 39.6(10) . . . ? C1 C12 C8 68.0(8) . . . ? C1 C12 C9 96.5(8) . . . ? C1 C12 C10 125.4(9) . . . ? C1 C12 C11 149.9(12) . . . ? C1 C12 C13 135.1(7) . . . ? C1 C12 H1 52.0 . . . no C1 C12 H1 126.7 . . . no C1 C12 H2 73.0 . . . no C1 C12 H2 93.3 . . . no C1 C12 H3 81.9 . . . no C1 C12 H3 68.4 . . . no C1 C12 H4 65.9 . . . no C1 C12 H4 86.7 . . . no C1 C12 H8 59.6 . . . no C1 C12 H9 96.4 . . . no C1 C12 H10 159.9 . . . no C1 C12 H11 83.0 . . . no C1 C12 H16 145.6 . . . no C1 C12 H30 117.9 . . . no C2 C12 C2 124.1(6) . . . ? C2 C12 C3 108.9(6) . . . ? C2 C12 C3 89.3(5) . . . ? C2 C12 C5 25.9(3) . . . ? C2 C12 C5 119.7(6) . . . ? C2 C12 C5 69.6(4) . . . ? C2 C12 C7 42.0(10) . . . ? C2 C12 C8 69.8(7) . . . ? C2 C12 C9 98.2(7) . . . ? C2 C12 C10 125.0(8) . . . ? C2 C12 C11 148.9(11) . . . ? C2 C12 C13 134.6(6) . . . ? C2 C12 H1 92.5 . . . no C2 C12 H1 104.3 . . . no C2 C12 H2 36.8 . . . no C2 C12 H2 131.1 . . . no C2 C12 H3 39.4 . . . no C2 C12 H3 54.7 . . . no C2 C12 H4 105.1 . . . no C2 C12 H4 82.5 . . . no C2 C12 H8 61.6 . . . no C2 C12 H9 98.4 . . . no C2 C12 H10 156.7 . . . no C2 C12 H11 83.2 . . . no C2 C12 H16 166.2 . . . no C2 C12 H30 77.2 . . . no C2 C12 C3 20.2(3) 4_565 4_565 4_565 ? C2 C12 C3 121.6(6) 4_565 4_565 4_565 ? C2 C12 C5 149.5(6) 4_565 4_565 4_565 ? C2 C12 C5 22.2(3) 4_565 4_565 4_565 ? C2 C12 C5 105.7(4) 4_565 4_565 4_565 ? C2 C12 C7 101.3(10) 4_565 4_565 4_565 ? C2 C12 C8 97.4(6) 4_565 4_565 4_565 ? C2 C12 C9 91.0(5) 4_565 4_565 4_565 ? C2 C12 C10 86.5(5) 4_565 4_565 4_565 ? C2 C12 C11 80.8(9) 4_565 4_565 4_565 ? C2 C12 C13 84.1(4) 4_565 4_565 4_565 ? C2 C12 H1 33.2 4_565 4_565 4_565 no C2 C12 H1 107.4 4_565 4_565 4_565 no C2 C12 H2 147.5 4_565 4_565 4_565 no C2 C12 H2 31.9 4_565 4_565 4_565 no C2 C12 H3 160.8 4_565 4_565 4_565 no C2 C12 H3 108.8 4_565 4_565 4_565 no C2 C12 H4 33.1 4_565 4_565 4_565 no C2 C12 H4 91.8 4_565 4_565 4_565 no C2 C12 H8 98.8 4_565 4_565 4_565 no C2 C12 H9 90.5 4_565 4_565 4_565 no C2 C12 H10 78.4 4_565 4_565 4_565 no C2 C12 H11 86.4 4_565 4_565 4_565 no C2 C12 H16 66.8 4_565 4_565 4_565 no C2 C12 H30 156.3 4_565 4_565 4_565 no C3 C12 C3 112.7(5) 4_565 4_565 4_565 ? C3 C12 C5 134.5(6) 4_565 4_565 4_565 ? C3 C12 C5 38.3(4) 4_565 4_565 4_565 ? C3 C12 C5 88.3(5) 4_565 4_565 4_565 ? C3 C12 C7 98.4(10) 4_565 4_565 4_565 ? C3 C12 C8 105.6(7) 4_565 4_565 4_565 ? C3 C12 C9 107.5(6) 4_565 4_565 4_565 ? C3 C12 C10 106.6(6) 4_565 4_565 4_565 ? C3 C12 C11 99.2(9) 4_565 4_565 4_565 ? C3 C12 C13 104.2(5) 4_565 4_565 4_565 ? C3 C12 H1 16.9 4_565 4_565 4_565 no C3 C12 H1 101.9 4_565 4_565 4_565 no C3 C12 H2 141.6 4_565 4_565 4_565 no C3 C12 H2 51.2 4_565 4_565 4_565 no C3 C12 H3 141.1 4_565 4_565 4_565 no C3 C12 H3 89.2 4_565 4_565 4_565 no C3 C12 H4 43.0 4_565 4_565 4_565 no C3 C12 H4 75.8 4_565 4_565 4_565 no C3 C12 H8 103.9 4_565 4_565 4_565 no C3 C12 H9 107.0 4_565 4_565 4_565 no C3 C12 H10 91.3 4_565 4_565 4_565 no C3 C12 H11 69.9 4_565 4_565 4_565 no C3 C12 H16 83.7 4_565 4_565 4_565 no C3 C12 H30 173.1 4_565 4_565 4_565 no C3 C12 C5 76.7(4) 3_675 3_675 3_675 ? C3 C12 C5 142.1(6) 3_675 3_675 3_675 ? C3 C12 C5 37.9(4) 3_675 3_675 3_675 ? C3 C12 C7 129.6(11) 3_675 3_675 3_675 ? C3 C12 C8 140.8(6) 3_675 3_675 3_675 ? C3 C12 C9 134.0(7) 3_675 3_675 3_675 ? C3 C12 C10 113.6(8) 3_675 3_675 3_675 ? C3 C12 C11 92.0(11) 3_675 3_675 3_675 ? C3 C12 C13 105.7(6) 3_675 3_675 3_675 ? C3 C12 H1 117.8 3_675 3_675 3_675 no C3 C12 H1 16.0 3_675 3_675 3_675 no C3 C12 H2 88.6 3_675 3_675 3_675 no C3 C12 H2 138.2 3_675 3_675 3_675 no C3 C12 H3 59.3 3_675 3_675 3_675 no C3 C12 H3 50.1 3_675 3_675 3_675 no C3 C12 H4 154.5 3_675 3_675 3_675 no C3 C12 H4 42.0 3_675 3_675 3_675 no C3 C12 H8 139.3 3_675 3_675 3_675 no C3 C12 H9 134.4 3_675 3_675 3_675 no C3 C12 H10 71.6 3_675 3_675 3_675 no C3 C12 H11 48.1 3_675 3_675 3_675 no C3 C12 H16 91.0 3_675 3_675 3_675 no C3 C12 H30 63.4 3_675 3_675 3_675 no C5 C12 C5 139.4(6) . . . ? C5 C12 C5 72.9(4) . . . ? C5 C12 C7 53.7(8) . . . ? C5 C12 C8 70.3(6) . . . ? C5 C12 C9 90.9(6) . . . ? C5 C12 C10 109.5(6) . . . ? C5 C12 C11 125.6(10) . . . ? C5 C12 C13 116.2(5) . . . ? C5 C12 H1 118.3 . . . no C5 C12 H1 92.6 . . . no C5 C12 H2 18.3 . . . no C5 C12 H2 144.3 . . . no C5 C12 H3 17.8 . . . no C5 C12 H3 62.1 . . . no C5 C12 H4 124.3 . . . no C5 C12 H4 88.1 . . . no C5 C12 H8 64.9 . . . no C5 C12 H9 91.2 . . . no C5 C12 H10 132.0 . . . no C5 C12 H11 91.3 . . . no C5 C12 H16 141.8 . . . no C5 C12 H30 51.4 . . . no C5 C12 C5 126.5(4) 4_565 4_565 4_565 ? C5 C12 C7 85.9(9) 4_565 4_565 4_565 ? C5 C12 C8 76.0(5) 4_565 4_565 4_565 ? C5 C12 C9 69.7(5) 4_565 4_565 4_565 ? C5 C12 C10 71.2(5) 4_565 4_565 4_565 ? C5 C12 C11 75.5(9) 4_565 4_565 4_565 ? C5 C12 C13 72.2(4) 4_565 4_565 4_565 ? C5 C12 H1 44.0 4_565 4_565 4_565 no C5 C12 H1 126.7 4_565 4_565 4_565 no C5 C12 H2 129.3 4_565 4_565 4_565 no C5 C12 H2 16.1 4_565 4_565 4_565 no C5 C12 H3 157.2 4_565 4_565 4_565 no C5 C12 H3 126.3 4_565 4_565 4_565 no C5 C12 H4 15.1 4_565 4_565 4_565 no C5 C12 H4 113.4 4_565 4_565 4_565 no C5 C12 H8 78.5 4_565 4_565 4_565 no C5 C12 H9 69.1 4_565 4_565 4_565 no C5 C12 H10 83.4 4_565 4_565 4_565 no C5 C12 H11 107.7 4_565 4_565 4_565 no C5 C12 H16 66.7 4_565 4_565 4_565 no C5 C12 H30 141.7 4_565 4_565 4_565 no C5 C12 C7 109.7(12) 3_675 3_675 3_675 ? C5 C12 C8 139.4(8) 3_675 3_675 3_675 ? C5 C12 C9 162.8(6) 3_675 3_675 3_675 ? C5 C12 C10 151.2(8) 3_675 3_675 3_675 ? C5 C12 C11 125.6(12) 3_675 3_675 3_675 ? C5 C12 C13 142.2(6) 3_675 3_675 3_675 ? C5 C12 H1 86.0 3_675 3_675 3_675 no C5 C12 H1 44.0 3_675 3_675 3_675 no C5 C12 H2 90.9 3_675 3_675 3_675 no C5 C12 H2 137.0 3_675 3_675 3_675 no C5 C12 H3 62.3 3_675 3_675 3_675 no C5 C12 H3 15.8 3_675 3_675 3_675 no C5 C12 H4 128.2 3_675 3_675 3_675 no C5 C12 H4 15.3 3_675 3_675 3_675 no C5 C12 H8 131.1 3_675 3_675 3_675 no C5 C12 H9 163.3 3_675 3_675 3_675 no C5 C12 H10 100.3 3_675 3_675 3_675 no C5 C12 H11 19.7 3_675 3_675 3_675 no C5 C12 H16 117.7 3_675 3_675 3_675 no C5 C12 H30 91.0 3_675 3_675 3_675 no C7 C12 C8 31.7(9) . . . ? C7 C12 C9 62.3(10) . . . ? C7 C12 C10 92.7(12) . . . ? C7 C12 C11 122.0(16) . . . ? C7 C12 C13 103.7(12) . . . ? C7 C12 H1 83.4 . . . no C7 C12 H1 145.4 . . . no C7 C12 H2 46.4 . . . no C7 C12 H2 92.2 . . . no C7 C12 H3 71.4 . . . no C7 C12 H3 94.0 . . . no C7 C12 H4 70.9 . . . no C7 C12 H4 119.8 . . . no C7 C12 H8 22.6 . . . no C7 C12 H9 62.3 . . . no C7 C12 H10 148.6 . . . no C7 C12 H11 118.1 . . . no C7 C12 H16 132.6 . . . no C7 C12 H30 88.4 . . . no C8 C12 C9 30.6(4) . . . ? C8 C12 C10 61.0(6) . . . ? C8 C12 C11 90.4(11) . . . ? C8 C12 C13 72.0(7) . . . ? C8 C12 H1 96.6 . . . no C8 C12 H1 152.3 . . . no C8 C12 H2 54.6 . . . no C8 C12 H2 74.5 . . . no C8 C12 H3 85.4 . . . no C8 C12 H3 124.3 . . . no C8 C12 H4 64.7 . . . no C8 C12 H4 151.3 . . . no C8 C12 H8 9.1 . . . no C8 C12 H9 30.7 . . . no C8 C12 H10 116.9 . . . no C8 C12 H11 149.7 . . . no C8 C12 H16 101.9 . . . no C8 C12 H30 79.4 . . . no C9 C12 C10 30.5(4) . . . ? C9 C12 C11 59.7(9) . . . ? C9 C12 C13 41.4(6) . . . ? C9 C12 H1 107.2 . . . no C9 C12 H1 134.3 . . . no C9 C12 H2 72.6 . . . no C9 C12 H2 60.2 . . . no C9 C12 H3 100.6 . . . no C9 C12 H3 152.2 . . . no C9 C12 H4 65.6 . . . no C9 C12 H4 176.0 . . . no C9 C12 H8 39.7 . . . no C9 C12 H9 0.5 . . . no C9 C12 H10 86.3 . . . no C9 C12 H11 177.4 . . . no C9 C12 H16 71.9 . . . no C9 C12 H30 74.1 . . . no C10 C12 C11 29.3(8) . . . ? C10 C12 C13 11.0(6) . . . ? C10 C12 H1 115.2 . . . no C10 C12 H1 107.7 . . . no C10 C12 H2 92.0 . . . no C10 C12 H2 56.0 . . . no C10 C12 H3 111.3 . . . no C10 C12 H3 161.7 . . . no C10 C12 H4 75.4 . . . no C10 C12 H4 147.1 . . . no C10 C12 H8 70.1 . . . no C10 C12 H9 30.5 . . . no C10 C12 H10 55.9 . . . no C10 C12 H11 149.2 . . . no C10 C12 H16 43.0 . . . no C10 C12 H30 71.3 . . . no C11 C12 C13 18.3(9) . . . ? C11 C12 H1 114.0 . . . no C11 C12 H1 82.0 . . . no C11 C12 H2 112.1 . . . no C11 C12 H2 59.8 . . . no C11 C12 H3 118.3 . . . no C11 C12 H3 140.8 . . . no C11 C12 H4 86.3 . . . no C11 C12 H4 118.0 . . . no C11 C12 H8 99.5 . . . no C11 C12 H9 59.7 . . . no C11 C12 H10 26.6 . . . no C11 C12 H11 119.9 . . . no C11 C12 H16 17.3 . . . no C11 C12 H30 75.7 . . . no C13 C12 H1 115.5 . . . no C13 C12 H1 98.1 . . . no C13 C12 H2 99.8 . . . no C13 C12 H2 56.2 . . . no C13 C12 H3 114.7 . . . no C13 C12 H3 155.8 . . . no C13 C12 H4 79.2 . . . no C13 C12 H4 136.2 . . . no C13 C12 H8 81.1 . . . no C13 C12 H9 41.4 . . . no C13 C12 H10 44.9 . . . no C13 C12 H11 138.2 . . . no C13 C12 H16 32.7 . . . no C13 C12 H30 72.5 . . . no H1 C12 H1 110.9 4_565 4_565 4_565 no H1 C12 H2 124.8 4_565 4_565 4_565 no H1 C12 H2 59.5 4_565 4_565 4_565 no H1 C12 H3 127.6 4_565 4_565 4_565 no H1 C12 H3 82.5 4_565 4_565 4_565 no H1 C12 H4 42.2 4_565 4_565 4_565 no H1 C12 H4 76.7 4_565 4_565 4_565 no H1 C12 H8 92.8 4_565 4_565 4_565 no H1 C12 H9 106.7 4_565 4_565 4_565 no H1 C12 H10 108.1 4_565 4_565 4_565 no H1 C12 H11 70.5 4_565 4_565 4_565 no H1 C12 H16 99.5 4_565 4_565 4_565 no H1 C12 H30 169.7 4_565 4_565 4_565 no H1 C12 H2 103.9 3_675 3_675 3_675 no H1 C12 H2 122.3 3_675 3_675 3_675 no H1 C12 H3 75.2 3_675 3_675 3_675 no H1 C12 H3 58.9 3_675 3_675 3_675 no H1 C12 H4 140.4 3_675 3_675 3_675 no H1 C12 H4 41.9 3_675 3_675 3_675 no H1 C12 H8 153.5 3_675 3_675 3_675 no H1 C12 H9 134.6 3_675 3_675 3_675 no H1 C12 H10 58.6 3_675 3_675 3_675 no H1 C12 H11 47.0 3_675 3_675 3_675 no H1 C12 H16 77.7 3_675 3_675 3_675 no H1 C12 H30 72.9 3_675 3_675 3_675 no H2 C12 H2 128.9 . . . no H2 C12 H3 30.8 . . . no H2 C12 H3 80.5 . . . no H2 C12 H4 115.6 . . . no H2 C12 H4 106.2 . . . no H2 C12 H8 50.9 . . . no H2 C12 H9 73.0 . . . no H2 C12 H10 126.5 . . . no H2 C12 H11 109.6 . . . no H2 C12 H16 129.4 . . . no H2 C12 H30 45.3 . . . no H2 C12 H3 159.6 4_565 4_565 4_565 no H2 C12 H3 140.5 4_565 4_565 4_565 no H2 C12 H4 27.4 4_565 4_565 4_565 no H2 C12 H4 122.2 4_565 4_565 4_565 no H2 C12 H8 79.4 4_565 4_565 4_565 no H2 C12 H9 59.7 4_565 4_565 4_565 no H2 C12 H10 70.8 4_565 4_565 4_565 no H2 C12 H11 117.3 4_565 4_565 4_565 no H2 C12 H16 52.6 4_565 4_565 4_565 no H2 C12 H30 127.3 4_565 4_565 4_565 no H3 C12 H3 55.5 . . . no H3 C12 H4 142.1 . . . no H3 C12 H4 77.5 . . . no H3 C12 H8 81.1 . . . no H3 C12 H9 101.0 . . . no H3 C12 H10 117.3 . . . no H3 C12 H11 81.9 . . . no H3 C12 H16 131.4 . . . no H3 C12 H30 43.0 . . . no H3 C12 H4 122.9 3_675 3_675 3_675 no H3 C12 H4 28.0 3_675 3_675 3_675 no H3 C12 H8 115.6 3_675 3_675 3_675 no H3 C12 H9 152.5 3_675 3_675 3_675 no H3 C12 H10 116.1 3_675 3_675 3_675 no H3 C12 H11 29.6 3_675 3_675 3_675 no H3 C12 H16 133.4 3_675 3_675 3_675 no H3 C12 H30 91.9 3_675 3_675 3_675 no H4 C12 H4 118.0 4_565 4_565 4_565 no H4 C12 H8 65.7 4_565 4_565 4_565 no H4 C12 H9 65.1 4_565 4_565 4_565 no H4 C12 H10 97.6 4_565 4_565 4_565 no H4 C12 H11 111.9 4_565 4_565 4_565 no H4 C12 H16 80.0 4_565 4_565 4_565 no H4 C12 H30 139.7 4_565 4_565 4_565 no H4 C12 H8 142.3 3_675 3_675 3_675 no H4 C12 H9 176.4 3_675 3_675 3_675 no H4 C12 H10 91.5 3_675 3_675 3_675 no H4 C12 H11 6.2 3_675 3_675 3_675 no H4 C12 H16 106.7 3_675 3_675 3_675 no H4 C12 H30 102.3 3_675 3_675 3_675 no H8 C12 H9 39.8 . . . no H8 C12 H10 126.0 . . . no H8 C12 H11 140.6 . . . no H8 C12 H16 110.8 . . . no H8 C12 H30 81.8 . . . no H9 C12 H10 86.3 . . . no H9 C12 H11 176.9 . . . no H9 C12 H16 71.8 . . . no H9 C12 H30 74.7 . . . no H10 C12 H11 93.3 . . . no H10 C12 H16 19.3 . . . no H10 C12 H30 82.1 . . . no H11 C12 H16 107.1 . . . no H11 C12 H30 108.4 . . . no H16 C12 H30 90.6 . . . no C8 C13 C9 10.7(5) . . . ? C8 C13 C10 17.9(10) . . . ? C8 C13 C11 46.1(5) . . . ? C8 C13 C12 36.1(4) . . . ? C8 C13 C14 103.3(11) . . . ? C8 C13 C15 133.9(9) . . . ? C8 C13 C16 159.9(8) . . . ? C8 C13 C17 162.9(8) . . . ? C8 C13 C18 134.5(12) . . . ? C8 C13 C33 82.4(5) . . . ? C8 C13 H2 64.1 . . . no C8 C13 H8 103.9 . . . no C8 C13 H9 34.2 . . . no C8 C13 H10 69.8 . . . no C8 C13 H12 80.1 . . . no C8 C13 H13 125.3 . . . no C8 C13 H14 160.0 . . . no C8 C13 H15 154.6 . . . no C8 C13 H16 110.0 . . . no C8 C13 H28 86.7 . . . no C8 C13 H29 94.0 . . . no C8 C13 H31 122.3 . . . no C8 C13 H32 123.5 . . . no C9 C13 C10 28.5(9) . . . ? C9 C13 C11 56.7(6) . . . ? C9 C13 C12 46.7(5) . . . ? C9 C13 C14 93.9(12) . . . ? C9 C13 C15 123.7(10) . . . ? C9 C13 C16 149.3(9) . . . ? C9 C13 C17 163.4(8) . . . ? C9 C13 C18 142.1(14) . . . ? C9 C13 C33 74.3(5) . . . ? C9 C13 H2 65.7 . . . no C9 C13 H8 109.2 . . . no C9 C13 H9 23.5 . . . no C9 C13 H10 80.4 . . . no C9 C13 H12 71.4 . . . no C9 C13 H13 115.4 . . . no C9 C13 H14 149.4 . . . no C9 C13 H15 158.8 . . . no C9 C13 H16 119.0 . . . no C9 C13 H28 76.1 . . . no C9 C13 H29 86.9 . . . no C9 C13 H31 132.8 . . . no C9 C13 H32 128.7 . . . no C10 C13 C11 28.2(9) . . . ? C10 C13 C12 18.2(10) . . . ? C10 C13 C14 119.3(17) . . . ? C10 C13 C15 150.7(15) . . . ? C10 C13 C16 176.5(11) . . . ? C10 C13 C17 150.8(15) . . . ? C10 C13 C18 119.4(17) . . . ? C10 C13 C33 95.3(10) . . . ? C10 C13 H2 62.5 . . . no C10 C13 H8 93.4 . . . no C10 C13 H9 52.0 . . . no C10 C13 H10 51.9 . . . no C10 C13 H12 95.4 . . . no C10 C13 H13 141.8 . . . no C10 C13 H14 176.3 . . . no C10 C13 H15 141.2 . . . no C10 C13 H16 94.1 . . . no C10 C13 H28 104.1 . . . no C10 C13 H29 104.8 . . . no C10 C13 H31 104.8 . . . no C10 C13 H32 113.7 . . . no C11 C13 C12 10.0(5) . . . ? C11 C13 C14 143.6(12) . . . ? C11 C13 C15 170.2(8) . . . ? C11 C13 C16 153.5(9) . . . ? C11 C13 C17 124.6(10) . . . ? C11 C13 C18 93.5(12) . . . ? C11 C13 C33 113.4(7) . . . ? C11 C13 H2 63.9 . . . no C11 C13 H8 75.2 . . . no C11 C13 H9 80.2 . . . no C11 C13 H10 23.7 . . . no C11 C13 H12 120.0 . . . no C11 C13 H13 164.4 . . . no C11 C13 H14 153.2 . . . no C11 C13 H15 115.3 . . . no C11 C13 H16 68.2 . . . no C11 C13 H28 130.8 . . . no C11 C13 H29 117.9 . . . no C11 C13 H31 77.6 . . . no C11 C13 H32 96.6 . . . no C12 C13 C14 135.4(11) . . . ? C12 C13 C15 166.4(8) . . . ? C12 C13 C16 163.3(8) . . . ? C12 C13 C17 134.1(9) . . . ? C12 C13 C18 102.7(12) . . . ? C12 C13 C33 107.2(5) . . . ? C12 C13 H2 62.6 . . . no C12 C13 H8 81.5 . . . no C12 C13 H9 70.2 . . . no C12 C13 H10 33.7 . . . no C12 C13 H12 111.4 . . . no C12 C13 H13 157.8 . . . no C12 C13 H14 163.1 . . . no C12 C13 H15 124.6 . . . no C12 C13 H16 77.3 . . . no C12 C13 H28 121.5 . . . no C12 C13 H29 113.8 . . . no C12 C13 H31 87.2 . . . no C12 C13 H32 102.9 . . . no C14 C13 C15 31.6(8) . . . ? C14 C13 C16 60.4(9) . . . ? C14 C13 C17 89.9(11) . . . ? C14 C13 C18 121.3(16) . . . ? C14 C13 C33 72.2(9) . . . ? C14 C13 H2 127.1 . . . no C14 C13 H8 139.8 . . . no C14 C13 H9 72.7 . . . no C14 C13 H10 157.1 . . . no C14 C13 H12 24.0 . . . no C14 C13 H13 22.6 . . . no C14 C13 H14 60.7 . . . no C14 C13 H15 99.5 . . . no C14 C13 H16 146.6 . . . no C14 C13 H28 41.1 . . . no C14 C13 H29 76.6 . . . no C14 C13 H31 121.4 . . . no C14 C13 H32 85.7 . . . no C15 C13 C16 28.8(5) . . . ? C15 C13 C17 58.3(7) . . . ? C15 C13 C18 89.8(11) . . . ? C15 C13 C33 74.8(6) . . . ? C15 C13 H2 125.8 . . . no C15 C13 H8 112.1 . . . no C15 C13 H9 100.8 . . . no C15 C13 H10 153.8 . . . no C15 C13 H12 55.6 . . . no C15 C13 H13 9.0 . . . no C15 C13 H14 29.1 . . . no C15 C13 H15 67.9 . . . no C15 C13 H16 115.1 . . . no C15 C13 H28 53.7 . . . no C15 C13 H29 71.4 . . . no C15 C13 H31 99.3 . . . no C15 C13 H32 75.6 . . . no C16 C13 C17 29.5(5) . . . ? C16 C13 C18 61.0(9) . . . ? C16 C13 C33 81.3(5) . . . ? C16 C13 H2 114.6 . . . no C16 C13 H8 85.5 . . . no C16 C13 H9 125.8 . . . no C16 C13 H10 129.9 . . . no C16 C13 H12 84.4 . . . no C16 C13 H13 37.8 . . . no C16 C13 H14 0.3 . . . no C16 C13 H15 39.1 . . . no C16 C13 H16 86.4 . . . no C16 C13 H28 73.3 . . . no C16 C13 H29 71.7 . . . no C16 C13 H31 77.7 . . . no C16 C13 H32 69.9 . . . no C17 C13 C18 31.5(8) . . . ? C17 C13 C33 91.5(6) . . . ? C17 C13 H2 99.2 . . . no C17 C13 H8 59.3 . . . no C17 C13 H9 148.6 . . . no C17 C13 H10 101.9 . . . no C17 C13 H12 113.8 . . . no C17 C13 H13 67.3 . . . no C17 C13 H14 29.2 . . . no C17 C13 H15 9.6 . . . no C17 C13 H16 56.9 . . . no C17 C13 H28 96.6 . . . no C17 C13 H29 78.2 . . . no C17 C13 H31 56.1 . . . no C17 C13 H32 67.7 . . . no C18 C13 C33 102.0(9) . . . ? C18 C13 H2 80.9 . . . no C18 C13 H8 34.5 . . . no C18 C13 H9 153.5 . . . no C18 C13 H10 71.8 . . . no C18 C13 H12 145.2 . . . no C18 C13 H13 98.8 . . . no C18 C13 H14 60.7 . . . no C18 C13 H15 21.9 . . . no C18 C13 H16 25.4 . . . no C18 C13 H28 120.5 . . . no C18 C13 H29 88.4 . . . no C18 C13 H31 40.1 . . . no C18 C13 H32 72.0 . . . no C33 C13 H2 55.8 1_545 1_545 1_545 no C33 C13 H8 82.7 1_545 1_545 1_545 no C33 C13 H9 58.6 1_545 1_545 1_545 no C33 C13 H10 126.3 1_545 1_545 1_545 no C33 C13 H12 74.7 1_545 1_545 1_545 no C33 C13 H13 73.5 1_545 1_545 1_545 no C33 C13 H14 81.2 1_545 1_545 1_545 no C33 C13 H15 94.2 1_545 1_545 1_545 no C33 C13 H16 109.1 1_545 1_545 1_545 no C33 C13 H28 31.8 1_545 1_545 1_545 no C33 C13 H29 13.9 1_545 1_545 1_545 no C33 C13 H31 142.1 1_545 1_545 1_545 no C33 C13 H32 149.8 1_545 1_545 1_545 no H2 C13 H8 46.6 4_565 4_565 4_565 no H2 C13 H9 73.1 4_565 4_565 4_565 no H2 C13 H10 70.7 4_565 4_565 4_565 no H2 C13 H12 120.6 4_565 4_565 4_565 no H2 C13 H13 127.5 4_565 4_565 4_565 no H2 C13 H14 114.3 4_565 4_565 4_565 no H2 C13 H15 93.1 4_565 4_565 4_565 no H2 C13 H16 68.3 4_565 4_565 4_565 no H2 C13 H28 86.1 4_565 4_565 4_565 no H2 C13 H29 55.2 4_565 4_565 4_565 no H2 C13 H31 106.2 4_565 4_565 4_565 no H2 C13 H32 145.7 4_565 4_565 4_565 no H8 C13 H9 119.7 4_565 4_565 4_565 no H8 C13 H10 62.1 4_565 4_565 4_565 no H8 C13 H12 156.4 4_565 4_565 4_565 no H8 C13 H13 120.2 4_565 4_565 4_565 no H8 C13 H14 85.2 4_565 4_565 4_565 no H8 C13 H15 50.8 4_565 4_565 4_565 no H8 C13 H16 26.6 4_565 4_565 4_565 no H8 C13 H28 112.4 4_565 4_565 4_565 no H8 C13 H29 72.4 4_565 4_565 4_565 no H8 C13 H31 64.6 4_565 4_565 4_565 no H8 C13 H32 103.1 4_565 4_565 4_565 no H9 C13 H10 103.9 . . . no H9 C13 H12 52.7 . . . no H9 C13 H13 92.8 . . . no H9 C13 H14 126.0 . . . no H9 C13 H15 152.8 . . . no H9 C13 H16 137.8 . . . no H9 C13 H28 53.2 . . . no H9 C13 H29 72.5 . . . no H9 C13 H31 155.1 . . . no H9 C13 H32 134.1 . . . no H10 C13 H12 138.5 . . . no H10 C13 H13 158.9 . . . no H10 C13 H14 129.7 . . . no H10 C13 H15 93.0 . . . no H10 C13 H16 47.5 . . . no H10 C13 H28 152.2 . . . no H10 C13 H29 124.7 . . . no H10 C13 H31 54.6 . . . no H10 C13 H32 80.9 . . . no H12 C13 H13 46.6 . . . no H12 C13 H14 84.7 . . . no H12 C13 H15 123.5 . . . no H12 C13 H16 169.4 . . . no H12 C13 H28 44.2 . . . no H12 C13 H29 84.2 . . . no H12 C13 H31 133.2 . . . no H12 C13 H32 93.4 . . . no H13 C13 H14 38.1 . . . no H13 C13 H15 76.9 . . . no H13 C13 H16 124.1 . . . no H13 C13 H28 48.8 . . . no H13 C13 H29 72.4 . . . no H13 C13 H31 105.9 . . . no H13 C13 H32 78.2 . . . no H14 C13 H15 38.8 . . . no H14 C13 H16 86.1 . . . no H14 C13 H28 73.4 . . . no H14 C13 H29 71.5 . . . no H14 C13 H31 77.6 . . . no H14 C13 H32 70.0 . . . no H15 C13 H16 47.3 . . . no H15 C13 H28 103.6 . . . no H15 C13 H29 80.4 . . . no H15 C13 H31 50.6 . . . no H15 C13 H32 69.0 . . . no H16 C13 H28 137.0 . . . no H16 C13 H29 98.0 . . . no H16 C13 H31 38.8 . . . no H16 C13 H32 78.5 . . . no H28 C13 H29 40.0 1_545 1_545 1_545 no H28 C13 H31 151.0 1_545 1_545 1_545 no H28 C13 H32 125.7 1_545 1_545 1_545 no H29 C13 H31 128.4 1_545 1_545 1_545 no H29 C13 H32 141.5 1_545 1_545 1_545 no H31 C13 H32 39.8 . . . no C9 C14 C10 28.0(4) . . . ? C9 C14 C11 39.2(5) . . . ? C9 C14 C13 57.2(10) . . . ? C9 C14 C15 162.7(11) . . . ? C9 C14 C16 142.2(8) . . . ? C9 C14 C17 114.3(8) . . . ? C9 C14 C18 85.5(8) . . . ? C9 C14 C24 107.1(5) . . . ? C9 C14 C32 76.0(5) . . . ? C9 C14 C33 72.8(5) . . . ? C9 C14 H9 21.1 . . . no C9 C14 H12 68.4 . . . no C9 C14 H13 156.5 . . . no C9 C14 H14 150.0 . . . no C9 C14 H15 114.3 . . . no C9 C14 H16 77.2 . . . no C9 C14 H21 122.3 . . . no C9 C14 H21 90.5 . . . no C9 C14 H22 115.3 . . . no C9 C14 H23 114.0 . . . no C9 C14 H28 87.4 . . . no C9 C14 H29 79.6 . . . no C9 C14 H32 107.5 . . . no C10 C14 C11 11.6(5) . . . ? C10 C14 C13 30.8(9) . . . ? C10 C14 C15 146.3(13) . . . ? C10 C14 C16 119.7(9) . . . ? C10 C14 C17 89.7(8) . . . ? C10 C14 C18 59.9(8) . . . ? C10 C14 C24 124.7(6) . . . ? C10 C14 C32 96.0(6) . . . ? C10 C14 C33 84.5(6) . . . ? C10 C14 H9 48.7 . . . no C10 C14 H12 92.3 . . . no C10 C14 H13 172.8 . . . no C10 C14 H14 128.6 . . . no C10 C14 H15 89.8 . . . no C10 C14 H16 51.1 . . . no C10 C14 H21 125.0 . . . no C10 C14 H21 108.7 . . . no C10 C14 H22 137.5 . . . no C10 C14 H23 124.1 . . . no C10 C14 H28 110.0 . . . no C10 C14 H29 83.8 . . . no C10 C14 H32 84.2 . . . no C11 C14 C13 23.3(8) . . . ? C11 C14 C15 137.7(12) . . . ? C11 C14 C16 111.3(7) . . . ? C11 C14 C17 81.3(6) . . . ? C11 C14 C18 51.6(6) . . . ? C11 C14 C24 127.4(5) . . . ? C11 C14 C32 106.1(5) . . . ? C11 C14 C33 92.3(5) . . . ? C11 C14 H9 60.1 . . . no C11 C14 H12 100.2 . . . no C11 C14 H13 163.8 . . . no C11 C14 H14 120.3 . . . no C11 C14 H15 81.4 . . . no C11 C14 H16 42.6 . . . no C11 C14 H21 126.4 . . . no C11 C14 H21 112.8 . . . no C11 C14 H22 141.9 . . . no C11 C14 H23 122.8 . . . no C11 C14 H28 120.6 . . . no C11 C14 H29 88.9 . . . no C11 C14 H32 73.2 . . . no C13 C14 C15 115.5(15) . . . ? C13 C14 C16 88.9(11) . . . ? C13 C14 C17 58.9(9) . . . ? C13 C14 C18 29.0(8) . . . ? C13 C14 C24 148.0(10) . . . ? C13 C14 C32 105.5(10) . . . ? C13 C14 C33 85.9(9) . . . ? C13 C14 H9 76.1 . . . no C13 C14 H12 123.0 . . . no C13 C14 H13 142.4 . . . no C13 C14 H14 97.9 . . . no C13 C14 H15 59.0 . . . no C13 C14 H16 20.2 . . . no C13 C14 H21 106.5 . . . no C13 C14 H21 135.3 . . . no C13 C14 H22 163.4 . . . no C13 C14 H23 138.3 . . . no C13 C14 H28 120.7 . . . no C13 C14 H29 77.0 . . . no C13 C14 H32 69.4 . . . no C15 C14 C16 26.6(8) . . . ? C15 C14 C17 56.6(9) . . . ? C15 C14 C18 86.5(10) . . . ? C15 C14 C24 86.6(11) . . . ? C15 C14 C32 92.4(10) . . . ? C15 C14 C33 91.6(10) . . . ? C15 C14 H9 151.0 . . . no C15 C14 H12 121.5 . . . no C15 C14 H13 26.8 . . . no C15 C14 H14 17.6 . . . no C15 C14 H15 56.6 . . . no C15 C14 H16 95.5 . . . no C15 C14 H21 41.6 . . . no C15 C14 H21 103.2 . . . no C15 C14 H22 75.7 . . . no C15 C14 H23 82.0 . . . no C15 C14 H28 83.8 . . . no C15 C14 H29 83.4 . . . no C15 C14 H32 81.7 . . . no C16 C14 C17 30.0(4) . . . ? C16 C14 C18 59.9(6) . . . ? C16 C14 C24 110.8(8) . . . ? C16 C14 C32 100.5(6) . . . ? C16 C14 C33 89.9(6) . . . ? C16 C14 H9 148.3 . . . no C16 C14 H12 148.1 . . . no C16 C14 H13 53.5 . . . no C16 C14 H14 9.0 . . . no C16 C14 H15 30.0 . . . no C16 C14 H16 68.9 . . . no C16 C14 H21 46.8 . . . no C16 C14 H21 127.3 . . . no C16 C14 H22 101.7 . . . no C16 C14 H23 102.4 . . . no C16 C14 H28 97.9 . . . no C16 C14 H29 76.4 . . . no C16 C14 H32 70.2 . . . no C17 C14 C18 29.9(4) . . . ? C17 C14 C24 135.8(7) . . . ? C17 C14 C32 108.3(6) . . . ? C17 C14 C33 89.3(5) . . . ? C17 C14 H9 128.3 . . . no C17 C14 H12 176.1 . . . no C17 C14 H13 83.5 . . . no C17 C14 H14 39.0 . . . no C17 C14 H15 0.2 . . . no C17 C14 H16 38.8 . . . no C17 C14 H21 64.7 . . . no C17 C14 H21 149.8 . . . no C17 C14 H22 130.3 . . . no C17 C14 H23 122.8 . . . no C17 C14 H28 113.2 . . . no C17 C14 H29 73.1 . . . no C17 C14 H32 60.9 . . . no C18 C14 C24 153.3(7) . . . ? C18 C14 C32 110.3(6) . . . ? C18 C14 C33 88.1(6) . . . ? C18 C14 H9 102.6 . . . no C18 C14 H12 151.8 . . . no C18 C14 H13 113.3 . . . no C18 C14 H14 68.9 . . . no C18 C14 H15 30.0 . . . no C18 C14 H16 9.0 . . . no C18 C14 H21 86.1 . . . no C18 C14 H21 153.8 . . . no C18 C14 H22 157.0 . . . no C18 C14 H23 137.0 . . . no C18 C14 H28 122.2 . . . no C18 C14 H29 73.7 . . . no C18 C14 H32 60.4 . . . no C24 C14 C32 95.7(5) 3_676 3_676 3_676 ? C24 C14 C33 117.8(6) 3_676 3_676 3_676 ? C24 C14 H9 95.8 3_676 3_676 3_676 no C24 C14 H12 40.6 3_676 3_676 3_676 no C24 C14 H13 62.3 3_676 3_676 3_676 no C24 C14 H14 102.7 3_676 3_676 3_676 no C24 C14 H15 135.9 3_676 3_676 3_676 no C24 C14 H16 153.2 3_676 3_676 3_676 no C24 C14 H21 105.3 3_676 3_676 3_676 no C24 C14 H21 16.7 3_676 3_676 3_676 no C24 C14 H22 15.4 3_676 3_676 3_676 no C24 C14 H23 16.4 3_676 3_676 3_676 no C24 C14 H28 82.6 3_676 3_676 3_676 no C24 C14 H29 130.9 3_676 3_676 3_676 no C24 C14 H32 93.1 3_676 3_676 3_676 no C32 C14 C33 22.2(3) 1_545 1_545 1_545 ? C32 C14 H9 58.5 1_545 1_545 1_545 no C32 C14 H12 74.8 1_545 1_545 1_545 no C32 C14 H13 84.0 1_545 1_545 1_545 no C32 C14 H14 97.8 1_545 1_545 1_545 no C32 C14 H15 108.0 1_545 1_545 1_545 no C32 C14 H16 110.9 1_545 1_545 1_545 no C32 C14 H21 54.3 1_545 1_545 1_545 no C32 C14 H21 93.7 1_545 1_545 1_545 no C32 C14 H22 85.3 1_545 1_545 1_545 no C32 C14 H23 111.5 1_545 1_545 1_545 no C32 C14 H28 15.3 1_545 1_545 1_545 no C32 C14 H29 37.3 1_545 1_545 1_545 no C32 C14 H32 169.1 1_545 1_545 1_545 no C33 C14 H9 61.7 1_545 1_545 1_545 no C33 C14 H12 94.2 1_545 1_545 1_545 no C33 C14 H13 93.1 1_545 1_545 1_545 no C33 C14 H14 90.4 1_545 1_545 1_545 no C33 C14 H15 89.1 1_545 1_545 1_545 no C33 C14 H16 88.9 1_545 1_545 1_545 no C33 C14 H21 49.9 1_545 1_545 1_545 no C33 C14 H21 115.4 1_545 1_545 1_545 no C33 C14 H22 106.6 1_545 1_545 1_545 no C33 C14 H23 133.3 1_545 1_545 1_545 no C33 C14 H28 35.7 1_545 1_545 1_545 no C33 C14 H29 16.2 1_545 1_545 1_545 no C33 C14 H32 148.0 1_545 1_545 1_545 no H9 C14 H12 55.2 . . . no H9 C14 H13 135.4 . . . no H9 C14 H14 151.5 . . . no H9 C14 H15 128.2 . . . no H9 C14 H16 95.1 . . . no H9 C14 H21 110.7 . . . no H9 C14 H21 80.7 . . . no H9 C14 H22 100.0 . . . no H9 C14 H23 107.4 . . . no H9 C14 H28 67.9 . . . no H9 C14 H29 73.1 . . . no H9 C14 H32 126.9 . . . no H12 C14 H13 94.7 . . . no H12 C14 H14 139.1 . . . no H12 C14 H15 176.3 . . . no H12 C14 H16 142.8 . . . no H12 C14 H21 116.6 . . . no H12 C14 H21 26.4 . . . no H12 C14 H22 46.9 . . . no H12 C14 H23 53.4 . . . no H12 C14 H28 69.2 . . . no H12 C14 H29 110.4 . . . no H12 C14 H32 116.1 . . . no H13 C14 H14 44.5 . . . no H13 C14 H15 83.4 . . . no H13 C14 H16 122.3 . . . no H13 C14 H21 49.7 . . . no H13 C14 H21 78.4 . . . no H13 C14 H22 49.7 . . . no H13 C14 H23 62.1 . . . no H13 C14 H28 70.9 . . . no H13 C14 H29 92.0 . . . no H13 C14 H32 94.4 . . . no H14 C14 H15 39.0 . . . no H14 C14 H16 77.9 . . . no H14 C14 H21 43.5 . . . no H14 C14 H21 119.3 . . . no H14 C14 H22 92.9 . . . no H14 C14 H23 95.6 . . . no H14 C14 H28 93.0 . . . no H14 C14 H29 78.4 . . . no H14 C14 H32 73.9 . . . no H15 C14 H16 38.9 . . . no H15 C14 H21 64.5 . . . no H15 C14 H21 150.0 . . . no H15 C14 H22 130.3 . . . no H15 C14 H23 122.9 . . . no H15 C14 H28 112.9 . . . no H15 C14 H29 72.9 . . . no H15 C14 H32 61.1 . . . no H16 C14 H21 93.5 . . . no H16 C14 H21 148.4 . . . no H16 C14 H22 162.2 . . . no H16 C14 H23 137.6 . . . no H16 C14 H28 124.2 . . . no H16 C14 H29 75.8 . . . no H16 C14 H32 61.0 . . . no H21 C14 H21 117.4 2_646 2_646 2_646 no H21 C14 H22 90.0 2_646 2_646 2_646 no H21 C14 H23 110.4 2_646 2_646 2_646 no H21 C14 H28 51.5 2_646 2_646 2_646 no H21 C14 H29 43.5 2_646 2_646 2_646 no H21 C14 H32 117.0 2_646 2_646 2_646 no H21 C14 H22 29.2 3_676 3_676 3_676 no H21 C14 H23 27.1 3_676 3_676 3_676 no H21 C14 H28 83.4 3_676 3_676 3_676 no H21 C14 H29 131.0 3_676 3_676 3_676 no H21 C14 H32 96.5 3_676 3_676 3_676 no H22 C14 H23 27.1 3_676 3_676 3_676 no H22 C14 H28 70.9 3_676 3_676 3_676 no H22 C14 H29 117.6 3_676 3_676 3_676 no H22 C14 H32 102.0 3_676 3_676 3_676 no H23 C14 H28 97.7 3_676 3_676 3_676 no H23 C14 H29 144.6 3_676 3_676 3_676 no H23 C14 H32 76.9 3_676 3_676 3_676 no H28 C14 H29 48.6 1_545 1_545 1_545 no H28 C14 H32 165.1 1_545 1_545 1_545 no H29 C14 H32 132.3 1_545 1_545 1_545 no C10 C15 C13 11.1(6) . . . ? C10 C15 C14 21.9(9) . . . ? C10 C15 C16 104.3(11) . . . ? C10 C15 C17 71.6(7) . . . ? C10 C15 C18 41.7(6) . . . ? C10 C15 C22 143.7(6) . . . ? C10 C15 C23 140.2(6) . . . ? C10 C15 C24 126.6(5) . . . ? C10 C15 C24 93.4(5) . . . ? C10 C15 C32 74.1(5) . . . ? C10 C15 C33 66.7(4) . . . ? C10 C15 H9 32.2 . . . no C10 C15 H12 47.1 . . . no C10 C15 H13 140.0 . . . no C10 C15 H14 129.3 . . . no C10 C15 H15 81.1 . . . no C10 C15 H16 41.9 . . . no C10 C15 H18 146.9 . . . no C10 C15 H19 143.6 . . . no C10 C15 H20 122.7 . . . no C10 C15 H21 115.8 . . . no C10 C15 H22 100.9 . . . no C10 C15 H23 95.3 . . . no C10 C15 H28 81.4 . . . no C10 C15 H29 65.2 . . . no C10 C15 H32 67.4 . . . no C13 C15 C14 32.9(8) . . . ? C13 C15 C16 93.2(11) . . . ? C13 C15 C17 60.5(7) . . . ? C13 C15 C18 30.6(4) . . . ? C13 C15 C22 145.0(7) . . . ? C13 C15 C23 137.0(7) . . . ? C13 C15 C24 124.8(7) . . . ? C13 C15 C24 103.0(7) . . . ? C13 C15 C32 80.3(6) . . . ? C13 C15 C33 69.6(6) . . . ? C13 C15 H9 42.4 . . . no C13 C15 H12 58.0 . . . no C13 C15 H13 151.1 . . . no C13 C15 H14 118.3 . . . no C13 C15 H15 70.1 . . . no C13 C15 H16 30.7 . . . no C13 C15 H18 148.6 . . . no C13 C15 H19 136.2 . . . no C13 C15 H20 120.8 . . . no C13 C15 H21 113.7 . . . no C13 C15 H22 111.3 . . . no C13 C15 H23 102.9 . . . no C13 C15 H28 89.1 . . . no C13 C15 H29 65.2 . . . no C13 C15 H32 62.6 . . . no C14 C15 C16 126.1(16) . . . ? C14 C15 C17 93.4(11) . . . ? C14 C15 C18 63.5(10) . . . ? C14 C15 C22 137.1(12) . . . ? C14 C15 C23 135.2(11) . . . ? C14 C15 C24 129.7(11) . . . ? C14 C15 C24 72.8(10) . . . ? C14 C15 C32 67.1(10) . . . ? C14 C15 C33 67.9(9) . . . ? C14 C15 H9 19.1 . . . no C14 C15 H12 25.2 . . . no C14 C15 H13 118.2 . . . no C14 C15 H14 151.1 . . . no C14 C15 H15 102.9 . . . no C14 C15 H16 63.5 . . . no C14 C15 H18 133.0 . . . no C14 C15 H19 147.5 . . . no C14 C15 H20 118.4 . . . no C14 C15 H21 121.0 . . . no C14 C15 H22 79.3 . . . no C14 C15 H23 77.4 . . . no C14 C15 H28 70.5 . . . no C14 C15 H29 71.8 . . . no C14 C15 H32 75.1 . . . no C16 C15 C17 32.7(8) . . . ? C16 C15 C18 62.6(10) . . . ? C16 C15 C22 82.8(11) . . . ? C16 C15 C23 77.4(11) . . . ? C16 C15 C24 71.3(10) . . . ? C16 C15 C24 151.3(12) . . . ? C16 C15 C32 118.0(11) . . . ? C16 C15 C33 100.2(10) . . . ? C16 C15 H9 129.8 . . . no C16 C15 H12 151.2 . . . no C16 C15 H13 115.7 . . . no C16 C15 H14 25.0 . . . no C16 C15 H15 23.2 . . . no C16 C15 H16 62.6 . . . no C16 C15 H18 90.7 . . . no C16 C15 H19 61.3 . . . no C16 C15 H20 83.3 . . . no C16 C15 H21 70.0 . . . no C16 C15 H22 151.9 . . . no C16 C15 H23 137.0 . . . no C16 C15 H28 126.5 . . . no C16 C15 H29 87.4 . . . no C16 C15 H32 77.6 . . . no C17 C15 C18 29.9(4) . . . ? C17 C15 C22 110.5(8) . . . ? C17 C15 C23 100.8(8) . . . ? C17 C15 C24 92.9(7) . . . ? C17 C15 C24 151.1(8) . . . ? C17 C15 C32 110.0(7) . . . ? C17 C15 C33 89.5(6) . . . ? C17 C15 H9 99.7 . . . no C17 C15 H12 118.5 . . . no C17 C15 H13 148.4 . . . no C17 C15 H14 57.7 . . . no C17 C15 H15 9.5 . . . no C17 C15 H16 29.9 . . . no C17 C15 H18 117.2 . . . no C17 C15 H19 87.5 . . . no C17 C15 H20 98.7 . . . no C17 C15 H21 86.7 . . . no C17 C15 H22 163.6 . . . no C17 C15 H23 137.8 . . . no C17 C15 H28 122.2 . . . no C17 C15 H29 76.0 . . . no C17 C15 H32 62.6 . . . no C18 C15 C22 132.7(7) . . . ? C18 C15 C23 121.5(7) . . . ? C18 C15 C24 111.3(6) . . . ? C18 C15 C24 129.6(7) . . . ? C18 C15 C32 96.4(6) . . . ? C18 C15 C33 78.6(6) . . . ? C18 C15 H9 71.2 . . . no C18 C15 H12 88.6 . . . no C18 C15 H13 177.7 . . . no C18 C15 H14 87.7 . . . no C18 C15 H15 39.4 . . . no C18 C15 H16 0.9 . . . no C18 C15 H18 138.8 . . . no C18 C15 H19 112.6 . . . no C18 C15 H20 112.0 . . . no C18 C15 H21 101.8 . . . no C18 C15 H22 140.1 . . . no C18 C15 H23 123.8 . . . no C18 C15 H28 108.0 . . . no C18 C15 H29 68.0 . . . no C18 C15 H32 57.4 . . . no C22 C15 C23 76.1(5) 2_646 2_646 2_646 ? C22 C15 C24 22.1(3) 2_646 2_646 2_646 ? C22 C15 C24 96.3(5) 2_646 2_646 2_646 ? C22 C15 C32 71.3(4) 2_646 2_646 2_646 ? C22 C15 C33 76.9(4) 2_646 2_646 2_646 ? C22 C15 H9 118.5 2_646 2_646 2_646 no C22 C15 H12 120.8 2_646 2_646 2_646 no C22 C15 H13 47.4 2_646 2_646 2_646 no C22 C15 H14 62.6 2_646 2_646 2_646 no C22 C15 H15 102.6 2_646 2_646 2_646 no C22 C15 H16 133.4 2_646 2_646 2_646 no C22 C15 H18 66.4 2_646 2_646 2_646 no C22 C15 H19 71.2 2_646 2_646 2_646 no C22 C15 H20 93.3 2_646 2_646 2_646 no C22 C15 H21 32.6 2_646 2_646 2_646 no C22 C15 H22 84.4 2_646 2_646 2_646 no C22 C15 H23 103.5 2_646 2_646 2_646 no C22 C15 H28 66.7 2_646 2_646 2_646 no C22 C15 H29 79.9 2_646 2_646 2_646 no C22 C15 H32 147.4 2_646 2_646 2_646 no C23 C15 C24 92.1(5) 4_575 4_575 4_575 ? C23 C15 C24 74.6(4) 4_575 4_575 4_575 ? C23 C15 C32 141.1(6) 4_575 4_575 4_575 ? C23 C15 C33 153.0(6) 4_575 4_575 4_575 ? C23 C15 H9 148.2 4_575 4_575 4_575 no C23 C15 H12 121.6 4_575 4_575 4_575 no C23 C15 H13 56.1 4_575 4_575 4_575 no C23 C15 H14 60.0 4_575 4_575 4_575 no C23 C15 H15 93.9 4_575 4_575 4_575 no C23 C15 H16 120.8 4_575 4_575 4_575 no C23 C15 H18 17.3 4_575 4_575 4_575 no C23 C15 H19 16.7 4_575 4_575 4_575 no C23 C15 H20 17.7 4_575 4_575 4_575 no C23 C15 H21 102.3 4_575 4_575 4_575 no C23 C15 H22 75.3 4_575 4_575 4_575 no C23 C15 H23 63.6 4_575 4_575 4_575 no C23 C15 H28 130.3 4_575 4_575 4_575 no C23 C15 H29 152.9 4_575 4_575 4_575 no C23 C15 H32 74.4 4_575 4_575 4_575 no C24 C15 C24 115.6(5) 2_646 2_646 2_646 ? C24 C15 C32 63.8(4) 2_646 2_646 2_646 ? C24 C15 C33 62.3(4) 2_646 2_646 2_646 ? C24 C15 H9 110.9 2_646 2_646 2_646 no C24 C15 H12 124.3 2_646 2_646 2_646 no C24 C15 H13 69.1 2_646 2_646 2_646 no C24 C15 H14 58.1 2_646 2_646 2_646 no C24 C15 H15 86.6 2_646 2_646 2_646 no C24 C15 H16 112.0 2_646 2_646 2_646 no C24 C15 H18 85.9 2_646 2_646 2_646 no C24 C15 H19 82.6 2_646 2_646 2_646 no C24 C15 H20 109.8 2_646 2_646 2_646 no C24 C15 H21 11.0 2_646 2_646 2_646 no C24 C15 H22 103.1 2_646 2_646 2_646 no C24 C15 H23 124.8 2_646 2_646 2_646 no C24 C15 H28 64.2 2_646 2_646 2_646 no C24 C15 H29 61.5 2_646 2_646 2_646 no C24 C15 H32 148.1 2_646 2_646 2_646 no C24 C15 C32 88.3(5) 3_676 3_676 3_676 ? C24 C15 C33 107.5(5) 3_676 3_676 3_676 ? C24 C15 H9 75.7 3_676 3_676 3_676 no C24 C15 H12 49.8 3_676 3_676 3_676 no C24 C15 H13 51.0 3_676 3_676 3_676 no C24 C15 H14 132.9 3_676 3_676 3_676 no C24 C15 H15 154.9 3_676 3_676 3_676 no C24 C15 H16 129.1 3_676 3_676 3_676 no C24 C15 H18 63.3 3_676 3_676 3_676 no C24 C15 H19 91.1 3_676 3_676 3_676 no C24 C15 H20 68.1 3_676 3_676 3_676 no C24 C15 H21 122.2 3_676 3_676 3_676 no C24 C15 H22 12.6 3_676 3_676 3_676 no C24 C15 H23 15.9 3_676 3_676 3_676 no C24 C15 H28 77.9 3_676 3_676 3_676 no C24 C15 H29 120.8 3_676 3_676 3_676 no C24 C15 H32 89.0 3_676 3_676 3_676 no C32 C15 C33 20.5(3) 1_545 1_545 1_545 ? C32 C15 H9 48.0 1_545 1_545 1_545 no C32 C15 H12 62.5 1_545 1_545 1_545 no C32 C15 H13 85.8 1_545 1_545 1_545 no C32 C15 H14 118.7 1_545 1_545 1_545 no C32 C15 H15 113.3 1_545 1_545 1_545 no C32 C15 H16 97.2 1_545 1_545 1_545 no C32 C15 H18 124.6 1_545 1_545 1_545 no C32 C15 H19 142.2 1_545 1_545 1_545 no C32 C15 H20 150.6 1_545 1_545 1_545 no C32 C15 H21 57.9 1_545 1_545 1_545 no C32 C15 H22 80.8 1_545 1_545 1_545 no C32 C15 H23 104.0 1_545 1_545 1_545 no C32 C15 H28 12.3 1_545 1_545 1_545 no C32 C15 H29 34.2 1_545 1_545 1_545 no C32 C15 H32 141.2 1_545 1_545 1_545 no C33 C15 H9 50.4 1_545 1_545 1_545 no C33 C15 H12 72.5 1_545 1_545 1_545 no C33 C15 H13 103.4 1_545 1_545 1_545 no C33 C15 H14 107.4 1_545 1_545 1_545 no C33 C15 H15 92.9 1_545 1_545 1_545 no C33 C15 H16 79.6 1_545 1_545 1_545 no C33 C15 H18 140.1 1_545 1_545 1_545 no C33 C15 H19 144.6 1_545 1_545 1_545 no C33 C15 H20 169.0 1_545 1_545 1_545 no C33 C15 H21 53.1 1_545 1_545 1_545 no C33 C15 H22 101.1 1_545 1_545 1_545 no C33 C15 H23 122.8 1_545 1_545 1_545 no C33 C15 H28 32.6 1_545 1_545 1_545 no C33 C15 H29 13.7 1_545 1_545 1_545 no C33 C15 H32 131.9 1_545 1_545 1_545 no H9 C15 H12 26.7 . . . no H9 C15 H13 110.9 . . . no H9 C15 H14 151.2 . . . no H9 C15 H15 108.6 . . . no H9 C15 H16 71.6 . . . no H9 C15 H18 138.9 . . . no H9 C15 H19 164.1 . . . no H9 C15 H20 134.0 . . . no H9 C15 H21 103.0 . . . no H9 C15 H22 78.2 . . . no H9 C15 H23 85.0 . . . no H9 C15 H28 51.9 . . . no H9 C15 H29 56.8 . . . no H9 C15 H32 94.0 . . . no H12 C15 H13 93.0 . . . no H12 C15 H14 176.2 . . . no H12 C15 H15 128.0 . . . no H12 C15 H16 88.7 . . . no H12 C15 H18 113.0 . . . no H12 C15 H19 138.1 . . . no H12 C15 H20 109.2 . . . no H12 C15 H21 120.2 . . . no H12 C15 H22 54.6 . . . no H12 C15 H23 58.3 . . . no H12 C15 H28 60.2 . . . no H12 C15 H29 81.7 . . . no H12 C15 H32 86.8 . . . no H13 C15 H14 90.7 . . . no H13 C15 H15 138.9 . . . no H13 C15 H16 176.9 . . . no H13 C15 H18 39.0 . . . no H13 C15 H19 65.1 . . . no H13 C15 H20 65.9 . . . no H13 C15 H21 78.8 . . . no H13 C15 H22 40.8 . . . no H13 C15 H23 56.0 . . . no H13 C15 H28 74.3 . . . no H13 C15 H29 113.9 . . . no H13 C15 H32 121.1 . . . no H14 C15 H15 48.2 . . . no H14 C15 H16 87.6 . . . no H14 C15 H18 69.6 . . . no H14 C15 H19 43.4 . . . no H14 C15 H20 71.6 . . . no H14 C15 H21 61.5 . . . no H14 C15 H22 128.7 . . . no H14 C15 H23 123.6 . . . no H14 C15 H28 121.9 . . . no H14 C15 H29 97.6 . . . no H14 C15 H32 90.5 . . . no H15 C15 H16 39.4 . . . no H15 C15 H18 109.6 . . . no H15 C15 H19 79.7 . . . no H15 C15 H20 94.2 . . . no H15 C15 H21 81.7 . . . no H15 C15 H22 165.6 . . . no H15 C15 H23 139.6 . . . no H15 C15 H28 124.9 . . . no H15 C15 H29 79.2 . . . no H15 C15 H32 66.2 . . . no H16 C15 H18 138.0 . . . no H16 C15 H19 112.0 . . . no H16 C15 H20 111.1 . . . no H16 C15 H21 102.6 . . . no H16 C15 H22 139.8 . . . no H16 C15 H23 123.1 . . . no H16 C15 H28 108.8 . . . no H16 C15 H29 69.0 . . . no H16 C15 H32 56.4 . . . no H18 C15 H19 30.0 4_575 4_575 4_575 no H18 C15 H20 29.0 4_575 4_575 4_575 no H18 C15 H21 96.9 4_575 4_575 4_575 no H18 C15 H22 61.2 4_575 4_575 4_575 no H18 C15 H23 55.9 4_575 4_575 4_575 no H18 C15 H28 113.2 4_575 4_575 4_575 no H18 C15 H29 146.2 4_575 4_575 4_575 no H18 C15 H32 87.9 4_575 4_575 4_575 no H19 C15 H20 30.1 4_575 4_575 4_575 no H19 C15 H21 91.5 4_575 4_575 4_575 no H19 C15 H22 90.9 4_575 4_575 4_575 no H19 C15 H23 80.2 4_575 4_575 4_575 no H19 C15 H28 134.7 4_575 4_575 4_575 no H19 C15 H29 139.1 4_575 4_575 4_575 no H19 C15 H32 76.6 4_575 4_575 4_575 no H20 C15 H21 119.8 4_575 4_575 4_575 no H20 C15 H22 72.6 4_575 4_575 4_575 no H20 C15 H23 54.1 4_575 4_575 4_575 no H20 C15 H28 138.4 4_575 4_575 4_575 no H20 C15 H29 169.1 4_575 4_575 4_575 no H20 C15 H32 59.0 4_575 4_575 4_575 no H21 C15 H22 109.7 2_646 2_646 2_646 no H21 C15 H23 133.5 2_646 2_646 2_646 no H21 C15 H28 60.6 2_646 2_646 2_646 no H21 C15 H29 51.0 2_646 2_646 2_646 no H21 C15 H32 147.2 2_646 2_646 2_646 no H22 C15 H23 26.4 3_676 3_676 3_676 no H22 C15 H28 69.4 3_676 3_676 3_676 no H22 C15 H29 114.8 3_676 3_676 3_676 no H22 C15 H32 101.1 3_676 3_676 3_676 no H23 C15 H28 93.8 3_676 3_676 3_676 no H23 C15 H29 135.6 3_676 3_676 3_676 no H23 C15 H32 75.2 3_676 3_676 3_676 no H28 C15 H29 46.2 1_545 1_545 1_545 no H28 C15 H32 145.4 1_545 1_545 1_545 no H29 C15 H32 124.3 1_545 1_545 1_545 no C13 C16 C14 30.7(4) . . . ? C13 C16 C15 58.0(9) . . . ? C13 C16 C17 57.4(9) . . . ? C13 C16 C18 30.1(4) . . . ? C13 C16 C22 124.3(7) . . . ? C13 C16 C23 122.0(6) . . . ? C13 C16 C24 118.8(6) . . . ? C13 C16 H9 86.4 . . . no C13 C16 H12 40.3 . . . no C13 C16 H12 105.3 . . . no C13 C16 H13 86.2 . . . no C13 C16 H14 178.8 . . . no C13 C16 H15 84.3 . . . no C13 C16 H16 39.1 . . . no C13 C16 H18 118.6 . . . no C13 C16 H19 134.3 . . . no C13 C16 H20 106.2 . . . no C13 C16 H21 106.9 . . . no C13 C16 H22 129.9 . . . no C13 C16 H29 58.7 . . . no C13 C16 H32 60.2 . . . no C14 C16 C15 27.3(9) . . . ? C14 C16 C17 88.1(10) . . . ? C14 C16 C18 60.8(6) . . . ? C14 C16 C22 100.0(8) . . . ? C14 C16 C23 100.8(7) . . . ? C14 C16 C24 104.2(7) . . . ? C14 C16 H9 110.6 . . . no C14 C16 H12 9.6 . . . no C14 C16 H12 116.2 . . . no C14 C16 H13 55.5 . . . no C14 C16 H14 150.3 . . . no C14 C16 H15 115.0 . . . no C14 C16 H16 69.7 . . . no C14 C16 H18 92.0 . . . no C14 C16 H19 114.0 . . . no C14 C16 H20 89.5 . . . no C14 C16 H21 95.5 . . . no C14 C16 H22 119.7 . . . no C14 C16 H29 60.9 . . . no C14 C16 H32 67.9 . . . no C15 C16 C17 115.3(14) . . . ? C15 C16 C18 88.0(10) . . . ? C15 C16 C22 77.4(11) . . . ? C15 C16 C23 80.5(11) . . . ? C15 C16 C24 88.5(11) . . . ? C15 C16 H9 129.7 . . . no C15 C16 H12 17.7 . . . no C15 C16 H12 119.6 . . . no C15 C16 H13 28.2 . . . no C15 C16 H14 123.1 . . . no C15 C16 H15 142.2 . . . no C15 C16 H16 97.0 . . . no C15 C16 H18 68.4 . . . no C15 C16 H19 92.8 . . . no C15 C16 H20 74.8 . . . no C15 C16 H21 84.1 . . . no C15 C16 H22 104.2 . . . no C15 C16 H29 69.8 . . . no C15 C16 H32 79.8 . . . no C17 C16 C18 27.3(8) . . . ? C17 C16 C22 147.3(11) . . . ? C17 C16 C23 134.2(12) . . . ? C17 C16 C24 125.2(11) . . . ? C17 C16 H9 47.6 . . . no C17 C16 H12 97.6 . . . no C17 C16 H12 80.2 . . . no C17 C16 H13 143.5 . . . no C17 C16 H14 121.6 . . . no C17 C16 H15 26.9 . . . no C17 C16 H16 18.4 . . . no C17 C16 H18 148.5 . . . no C17 C16 H19 131.7 . . . no C17 C16 H20 121.2 . . . no C17 C16 H21 117.0 . . . no C17 C16 H22 118.3 . . . no C17 C16 H29 80.1 . . . no C17 C16 H32 66.8 . . . no C18 C16 C22 143.9(7) . . . ? C18 C16 C23 134.7(6) . . . ? C18 C16 C24 127.2(7) . . . ? C18 C16 H9 64.2 . . . no C18 C16 H12 70.3 . . . no C18 C16 H12 92.4 . . . no C18 C16 H13 116.3 . . . no C18 C16 H14 148.9 . . . no C18 C16 H15 54.2 . . . no C18 C16 H16 9.0 . . . no C18 C16 H18 140.2 . . . no C18 C16 H19 140.9 . . . no C18 C16 H20 117.4 . . . no C18 C16 H21 115.3 . . . no C18 C16 H22 129.2 . . . no C18 C16 H29 67.3 . . . no C18 C16 H32 59.6 . . . no C22 C16 C23 75.7(5) 2_646 2_646 2_646 ? C22 C16 C24 22.1(3) 2_646 2_646 2_646 ? C22 C16 H9 100.4 2_646 2_646 2_646 no C22 C16 H12 92.5 2_646 2_646 2_646 no C22 C16 H12 67.7 2_646 2_646 2_646 no C22 C16 H13 55.3 2_646 2_646 2_646 no C22 C16 H14 56.1 2_646 2_646 2_646 no C22 C16 H15 132.9 2_646 2_646 2_646 no C22 C16 H16 147.7 2_646 2_646 2_646 no C22 C16 H18 63.4 2_646 2_646 2_646 no C22 C16 H19 73.5 2_646 2_646 2_646 no C22 C16 H20 90.7 2_646 2_646 2_646 no C22 C16 H21 31.2 2_646 2_646 2_646 no C22 C16 H22 31.5 2_646 2_646 2_646 no C22 C16 H29 76.6 2_646 2_646 2_646 no C22 C16 H32 145.5 2_646 2_646 2_646 no C23 C16 C24 96.3(5) 4_575 4_575 4_575 ? C23 C16 H9 148.6 4_575 4_575 4_575 no C23 C16 H12 93.2 4_575 4_575 4_575 no C23 C16 H12 131.2 4_575 4_575 4_575 no C23 C16 H13 60.6 4_575 4_575 4_575 no C23 C16 H14 59.1 4_575 4_575 4_575 no C23 C16 H15 123.5 4_575 4_575 4_575 no C23 C16 H16 135.4 4_575 4_575 4_575 no C23 C16 H18 16.2 4_575 4_575 4_575 no C23 C16 H19 13.2 4_575 4_575 4_575 no C23 C16 H20 17.5 4_575 4_575 4_575 no C23 C16 H21 106.9 4_575 4_575 4_575 no C23 C16 H22 96.1 4_575 4_575 4_575 no C23 C16 H29 143.0 4_575 4_575 4_575 no C23 C16 H32 75.2 4_575 4_575 4_575 no C24 C16 H9 78.6 2_646 2_646 2_646 no C24 C16 H12 99.4 2_646 2_646 2_646 no C24 C16 H12 46.1 2_646 2_646 2_646 no C24 C16 H13 72.7 2_646 2_646 2_646 no C24 C16 H14 61.0 2_646 2_646 2_646 no C24 C16 H15 113.9 2_646 2_646 2_646 no C24 C16 H16 128.3 2_646 2_646 2_646 no C24 C16 H18 85.2 2_646 2_646 2_646 no C24 C16 H19 91.9 2_646 2_646 2_646 no C24 C16 H20 112.3 2_646 2_646 2_646 no C24 C16 H21 12.4 2_646 2_646 2_646 no C24 C16 H22 15.9 2_646 2_646 2_646 no C24 C16 H29 62.2 2_646 2_646 2_646 no C24 C16 H32 166.5 2_646 2_646 2_646 no H9 C16 H12 118.2 4_565 4_565 4_565 no H9 C16 H12 32.7 4_565 4_565 4_565 no H9 C16 H13 142.1 4_565 4_565 4_565 no H9 C16 H14 92.4 4_565 4_565 4_565 no H9 C16 H15 39.2 4_565 4_565 4_565 no H9 C16 H16 58.6 4_565 4_565 4_565 no H9 C16 H18 154.8 4_565 4_565 4_565 no H9 C16 H19 135.4 4_565 4_565 4_565 no H9 C16 H20 154.6 4_565 4_565 4_565 no H9 C16 H21 73.1 4_565 4_565 4_565 no H9 C16 H22 70.7 4_565 4_565 4_565 no H9 C16 H29 61.1 4_565 4_565 4_565 no H9 C16 H32 114.1 4_565 4_565 4_565 no H12 C16 H12 118.9 . . . no H12 C16 H13 45.9 . . . no H12 C16 H14 140.8 . . . no H12 C16 H15 124.5 . . . no H12 C16 H16 79.3 . . . no H12 C16 H18 83.3 . . . no H12 C16 H19 106.3 . . . no H12 C16 H20 83.7 . . . no H12 C16 H21 92.1 . . . no H12 C16 H22 115.3 . . . no H12 C16 H29 64.0 . . . no H12 C16 H32 71.1 . . . no H12 C16 H13 115.9 4_565 4_565 4_565 no H12 C16 H14 73.7 4_565 4_565 4_565 no H12 C16 H15 68.9 4_565 4_565 4_565 no H12 C16 H16 88.9 4_565 4_565 4_565 no H12 C16 H18 126.9 4_565 4_565 4_565 no H12 C16 H19 120.2 4_565 4_565 4_565 no H12 C16 H20 148.2 4_565 4_565 4_565 no H12 C16 H21 42.4 4_565 4_565 4_565 no H12 C16 H22 38.5 4_565 4_565 4_565 no H12 C16 H29 55.4 4_565 4_565 4_565 no H12 C16 H32 146.8 4_565 4_565 4_565 no H13 C16 H14 94.8 . . . no H13 C16 H15 170.3 . . . no H13 C16 H16 125.2 . . . no H13 C16 H18 45.4 . . . no H13 C16 H19 70.6 . . . no H13 C16 H20 62.3 . . . no H13 C16 H21 73.7 . . . no H13 C16 H22 86.2 . . . no H13 C16 H29 83.5 . . . no H13 C16 H32 93.9 . . . no H14 C16 H15 94.7 . . . no H14 C16 H16 139.9 . . . no H14 C16 H18 62.6 . . . no H14 C16 H19 46.8 . . . no H14 C16 H20 74.9 . . . no H14 C16 H21 72.9 . . . no H14 C16 H22 49.6 . . . no H14 C16 H29 120.8 . . . no H14 C16 H32 120.3 . . . no H15 C16 H16 45.3 . . . no H15 C16 H18 139.6 . . . no H15 C16 H19 115.1 . . . no H15 C16 H20 118.6 . . . no H15 C16 H21 111.2 . . . no H15 C16 H22 101.6 . . . no H15 C16 H29 93.4 . . . no H15 C16 H32 79.5 . . . no H16 C16 H18 144.2 . . . no H16 C16 H19 138.7 . . . no H16 C16 H20 118.8 . . . no H16 C16 H21 117.2 . . . no H16 C16 H22 127.1 . . . no H16 C16 H29 71.7 . . . no H16 C16 H32 60.6 . . . no H18 C16 H19 25.3 4_575 4_575 4_575 no H18 C16 H20 27.4 4_575 4_575 4_575 no H18 C16 H21 94.4 4_575 4_575 4_575 no H18 C16 H22 88.7 4_575 4_575 4_575 no H18 C16 H29 126.8 4_575 4_575 4_575 no H18 C16 H32 84.2 4_575 4_575 4_575 no H19 C16 H20 28.1 4_575 4_575 4_575 no H19 C16 H21 103.6 4_575 4_575 4_575 no H19 C16 H22 88.4 4_575 4_575 4_575 no H19 C16 H29 148.1 4_575 4_575 4_575 no H19 C16 H32 82.1 4_575 4_575 4_575 no H20 C16 H21 121.8 4_575 4_575 4_575 no H20 C16 H22 113.4 4_575 4_575 4_575 no H20 C16 H29 144.2 4_575 4_575 4_575 no H20 C16 H32 58.2 4_575 4_575 4_575 no H21 C16 H22 24.7 2_646 2_646 2_646 no H21 C16 H29 49.8 2_646 2_646 2_646 no H21 C16 H32 163.2 2_646 2_646 2_646 no H22 C16 H29 71.3 2_646 2_646 2_646 no H22 C16 H32 169.8 2_646 2_646 2_646 no H29 C16 H32 118.9 1_545 1_545 1_545 no C8 C17 C9 21.0(2) 4_565 4_565 4_565 ? C8 C17 C10 77.6(4) 4_565 4_565 4_565 ? C8 C17 C13 86.5(7) 4_565 4_565 4_565 ? C8 C17 C14 109.8(7) 4_565 4_565 4_565 ? C8 C17 C15 128.4(7) 4_565 4_565 4_565 ? C8 C17 C16 136.4(11) 4_565 4_565 4_565 ? C8 C17 C18 64.1(10) 4_565 4_565 4_565 ? C8 C17 C29 116.5(4) 4_565 4_565 4_565 ? C8 C17 C35 107.5(6) 4_565 4_565 4_565 ? C8 C17 C36 126.3(6) 4_565 4_565 4_565 ? C8 C17 H7 47.7 4_565 4_565 4_565 no C8 C17 H8 14.2 4_565 4_565 4_565 no C8 C17 H9 33.9 4_565 4_565 4_565 no C8 C17 H10 68.0 4_565 4_565 4_565 no C8 C17 H12 110.8 4_565 4_565 4_565 no C8 C17 H12 61.6 4_565 4_565 4_565 no C8 C17 H13 133.4 4_565 4_565 4_565 no C8 C17 H14 131.3 4_565 4_565 4_565 no C8 C17 H15 69.8 4_565 4_565 4_565 no C8 C17 H16 51.2 4_565 4_565 4_565 no C8 C17 H19 158.3 4_565 4_565 4_565 no C8 C17 H21 92.7 4_565 4_565 4_565 no C8 C17 H26 107.1 4_565 4_565 4_565 no C8 C17 H29 64.7 4_565 4_565 4_565 no C8 C17 H31 91.6 4_565 4_565 4_565 no C8 C17 H32 129.7 4_565 4_565 4_565 no C9 C17 C10 94.4(5) 4_565 4_565 4_565 ? C9 C17 C13 101.4(7) 4_565 4_565 4_565 ? C9 C17 C14 117.2(6) 4_565 4_565 4_565 ? C9 C17 C15 124.5(7) 4_565 4_565 4_565 ? C9 C17 C16 120.1(11) 4_565 4_565 4_565 ? C9 C17 C18 84.0(10) 4_565 4_565 4_565 ? C9 C17 C29 106.7(4) 4_565 4_565 4_565 ? C9 C17 C35 121.2(6) 4_565 4_565 4_565 ? C9 C17 C36 142.5(7) 4_565 4_565 4_565 ? C9 C17 H7 54.9 4_565 4_565 4_565 no C9 C17 H8 34.2 4_565 4_565 4_565 no C9 C17 H9 14.0 4_565 4_565 4_565 no C9 C17 H10 88.9 4_565 4_565 4_565 no C9 C17 H12 118.3 4_565 4_565 4_565 no C9 C17 H12 41.5 4_565 4_565 4_565 no C9 C17 H13 125.3 4_565 4_565 4_565 no C9 C17 H14 110.6 4_565 4_565 4_565 no C9 C17 H15 62.2 4_565 4_565 4_565 no C9 C17 H16 72.1 4_565 4_565 4_565 no C9 C17 H19 137.3 4_565 4_565 4_565 no C9 C17 H21 77.0 4_565 4_565 4_565 no C9 C17 H26 102.6 4_565 4_565 4_565 no C9 C17 H29 61.7 4_565 4_565 4_565 no C9 C17 H31 107.1 4_565 4_565 4_565 no C9 C17 H32 149.8 4_565 4_565 4_565 no C10 C17 C13 11.1(6) . . . ? C10 C17 C14 42.3(5) . . . ? C10 C17 C15 72.3(7) . . . ? C10 C17 C16 104.1(10) . . . ? C10 C17 C18 21.2(9) . . . ? C10 C17 C29 149.4(6) . . . ? C10 C17 C35 87.7(5) . . . ? C10 C17 C36 82.7(4) . . . ? C10 C17 H7 99.9 . . . no C10 C17 H8 71.8 . . . no C10 C17 H9 108.3 . . . no C10 C17 H10 32.3 . . . no C10 C17 H12 42.9 . . . no C10 C17 H12 115.4 . . . no C10 C17 H13 82.2 . . . no C10 C17 H14 129.4 . . . no C10 C17 H15 137.8 . . . no C10 C17 H16 46.0 . . . no C10 C17 H19 119.8 . . . no C10 C17 H21 101.6 . . . no C10 C17 H26 138.1 . . . no C10 C17 H29 63.1 . . . no C10 C17 H31 79.8 . . . no C10 C17 H32 70.6 . . . no C13 C17 C14 31.2(4) . . . ? C13 C17 C15 61.2(7) . . . ? C13 C17 C16 93.0(11) . . . ? C13 C17 C18 32.2(8) . . . ? C13 C17 C29 148.8(7) . . . ? C13 C17 C35 91.4(6) . . . ? C13 C17 C36 82.4(5) . . . ? C13 C17 H7 111.0 . . . no C13 C17 H8 82.0 . . . no C13 C17 H9 114.9 . . . no C13 C17 H10 42.2 . . . no C13 C17 H12 31.8 . . . no C13 C17 H12 115.4 . . . no C13 C17 H13 71.1 . . . no C13 C17 H14 118.4 . . . no C13 C17 H15 149.0 . . . no C13 C17 H16 57.0 . . . no C13 C17 H19 109.5 . . . no C13 C17 H21 94.6 . . . no C13 C17 H26 141.8 . . . no C13 C17 H29 60.7 . . . no C13 C17 H31 86.0 . . . no C13 C17 H32 68.5 . . . no C14 C17 C15 30.0(4) . . . ? C14 C17 C16 61.9(9) . . . ? C14 C17 C18 63.4(9) . . . ? C14 C17 C29 133.7(7) . . . ? C14 C17 C35 103.1(6) . . . ? C14 C17 C36 85.3(5) . . . ? C14 C17 H7 142.2 . . . no C14 C17 H8 109.7 . . . no C14 C17 H9 126.6 . . . no C14 C17 H10 72.2 . . . no C14 C17 H12 1.1 . . . no C14 C17 H12 108.1 . . . no C14 C17 H13 39.9 . . . no C14 C17 H14 87.2 . . . no C14 C17 H15 179.2 . . . no C14 C17 H16 88.1 . . . no C14 C17 H19 81.1 . . . no C14 C17 H21 73.5 . . . no C14 C17 H26 140.2 . . . no C14 C17 H29 58.3 . . . no C14 C17 H31 105.4 . . . no C14 C17 H32 69.3 . . . no C15 C17 C16 31.9(8) . . . ? C15 C17 C18 93.3(11) . . . ? C15 C17 C29 110.7(8) . . . ? C15 C17 C35 112.0(6) . . . ? C15 C17 C36 90.3(6) . . . ? C15 C17 H7 172.1 . . . no C15 C17 H8 134.1 . . . no C15 C17 H9 126.1 . . . no C15 C17 H10 101.6 . . . no C15 C17 H12 29.5 . . . no C15 C17 H12 95.5 . . . no C15 C17 H13 10.0 . . . no C15 C17 H14 57.2 . . . no C15 C17 H15 149.8 . . . no C15 C17 H16 118.1 . . . no C15 C17 H19 54.9 . . . no C15 C17 H21 55.2 . . . no C15 C17 H26 123.4 . . . no C15 C17 H29 64.5 . . . no C15 C17 H31 122.0 . . . no C15 C17 H32 76.9 . . . no C16 C17 C18 125.2(15) . . . ? C16 C17 C29 84.5(11) . . . ? C16 C17 C35 116.1(11) . . . ? C16 C17 C36 96.7(10) . . . ? C16 C17 H7 155.9 . . . no C16 C17 H8 149.6 . . . no C16 C17 H9 113.2 . . . no C16 C17 H10 132.9 . . . no C16 C17 H12 61.4 . . . no C16 C17 H12 79.8 . . . no C16 C17 H13 22.0 . . . no C16 C17 H14 25.3 . . . no C16 C17 H15 117.9 . . . no C16 C17 H16 150.0 . . . no C16 C17 H19 32.5 . . . no C16 C17 H21 43.8 . . . no C16 C17 H26 99.9 . . . no C16 C17 H29 77.2 . . . no C16 C17 H31 131.9 . . . no C16 C17 H32 89.5 . . . no C18 C17 C29 138.7(13) . . . ? C18 C17 C35 77.6(11) . . . ? C18 C17 C36 80.2(10) . . . ? C18 C17 H7 78.8 . . . no C18 C17 H8 55.0 . . . no C18 C17 H9 97.7 . . . no C18 C17 H10 14.2 . . . no C18 C17 H12 63.9 . . . no C18 C17 H12 116.5 . . . no C18 C17 H13 103.3 . . . no C18 C17 H14 150.6 . . . no C18 C17 H15 116.8 . . . no C18 C17 H16 24.8 . . . no C18 C17 H19 136.4 . . . no C18 C17 H21 116.8 . . . no C18 C17 H26 123.4 . . . no C18 C17 H29 73.6 . . . no C18 C17 H31 65.6 . . . no C18 C17 H32 72.8 . . . no C29 C17 C35 62.6(4) 4_575 4_575 4_575 ? C29 C17 C36 67.1(4) 4_575 4_575 4_575 ? C29 C17 H7 76.0 4_575 4_575 4_575 no C29 C17 H8 114.8 4_575 4_575 4_575 no C29 C17 H9 94.5 4_575 4_575 4_575 no C29 C17 H10 124.4 4_575 4_575 4_575 no C29 C17 H12 132.7 4_575 4_575 4_575 no C29 C17 H12 94.8 4_575 4_575 4_575 no C29 C17 H13 102.1 4_575 4_575 4_575 no C29 C17 H14 63.4 4_575 4_575 4_575 no C29 C17 H15 46.7 4_575 4_575 4_575 no C29 C17 H16 120.0 4_575 4_575 4_575 no C29 C17 H19 55.9 4_575 4_575 4_575 no C29 C17 H21 104.5 4_575 4_575 4_575 no C29 C17 H26 16.2 4_575 4_575 4_575 no C29 C17 H29 146.8 4_575 4_575 4_575 no C29 C17 H31 73.1 4_575 4_575 4_575 no C29 C17 H32 80.4 4_575 4_575 4_575 no C35 C17 C36 21.8(3) . . . ? C35 C17 H7 66.9 . . . no C35 C17 H8 94.0 . . . no C35 C17 H9 121.9 . . . no C35 C17 H10 63.8 . . . no C35 C17 H12 102.4 . . . no C35 C17 H12 148.9 . . . no C35 C17 H13 113.2 . . . no C35 C17 H14 112.5 . . . no C35 C17 H15 77.7 . . . no C35 C17 H16 68.1 . . . no C35 C17 H19 87.3 . . . no C35 C17 H21 159.3 . . . no C35 C17 H26 50.7 . . . no C35 C17 H29 150.6 . . . no C35 C17 H31 16.5 . . . no C35 C17 H32 35.7 . . . no C36 C17 H7 88.7 . . . no C36 C17 H8 112.2 . . . no C36 C17 H9 143.5 . . . no C36 C17 H10 68.9 . . . no C36 C17 H12 84.4 . . . no C36 C17 H12 161.8 . . . no C36 C17 H13 91.4 . . . no C36 C17 H14 99.5 . . . no C36 C17 H15 95.5 . . . no C36 C17 H16 79.6 . . . no C36 C17 H19 71.9 . . . no C36 C17 H21 140.3 . . . no C36 C17 H26 60.6 . . . no C36 C17 H29 141.8 . . . no C36 C17 H31 35.5 . . . no C36 C17 H32 16.0 . . . no H7 C17 H8 40.1 2_655 2_655 2_655 no H7 C17 H9 55.6 2_655 2_655 2_655 no H7 C17 H10 70.8 2_655 2_655 2_655 no H7 C17 H12 142.7 2_655 2_655 2_655 no H7 C17 H12 87.9 2_655 2_655 2_655 no H7 C17 H13 177.9 2_655 2_655 2_655 no H7 C17 H14 130.6 2_655 2_655 2_655 no H7 C17 H15 38.1 2_655 2_655 2_655 no H7 C17 H16 54.1 2_655 2_655 2_655 no H7 C17 H19 131.8 2_655 2_655 2_655 no H7 C17 H21 128.3 2_655 2_655 2_655 no H7 C17 H26 62.4 2_655 2_655 2_655 no H7 C17 H29 112.4 2_655 2_655 2_655 no H7 C17 H31 55.0 2_655 2_655 2_655 no H7 C17 H32 100.8 2_655 2_655 2_655 no H8 C17 H9 45.6 4_565 4_565 4_565 no H8 C17 H10 56.2 4_565 4_565 4_565 no H8 C17 H12 110.6 4_565 4_565 4_565 no H8 C17 H12 75.5 4_565 4_565 4_565 no H8 C17 H13 141.5 4_565 4_565 4_565 no H8 C17 H14 144.7 4_565 4_565 4_565 no H8 C17 H15 70.1 4_565 4_565 4_565 no H8 C17 H16 38.3 4_565 4_565 4_565 no H8 C17 H19 168.4 4_565 4_565 4_565 no H8 C17 H21 106.4 4_565 4_565 4_565 no H8 C17 H26 102.3 4_565 4_565 4_565 no H8 C17 H29 74.3 4_565 4_565 4_565 no H8 C17 H31 77.9 4_565 4_565 4_565 no H8 C17 H32 115.8 4_565 4_565 4_565 no H9 C17 H10 101.6 4_565 4_565 4_565 no H9 C17 H12 127.6 4_565 4_565 4_565 no H9 C17 H12 33.6 4_565 4_565 4_565 no H9 C17 H13 124.0 4_565 4_565 4_565 no H9 C17 H14 99.3 4_565 4_565 4_565 no H9 C17 H15 52.7 4_565 4_565 4_565 no H9 C17 H16 83.9 4_565 4_565 4_565 no H9 C17 H19 124.6 4_565 4_565 4_565 no H9 C17 H21 73.0 4_565 4_565 4_565 no H9 C17 H26 92.7 4_565 4_565 4_565 no H9 C17 H29 68.6 4_565 4_565 4_565 no H9 C17 H31 110.5 4_565 4_565 4_565 no H9 C17 H32 156.3 4_565 4_565 4_565 no H10 C17 H12 72.5 . . . no H10 C17 H12 126.3 . . . no H10 C17 H13 111.2 . . . no H10 C17 H14 156.7 . . . no H10 C17 H15 108.2 . . . no H10 C17 H16 18.9 . . . no H10 C17 H19 133.7 . . . no H10 C17 H21 131.0 . . . no H10 C17 H26 109.3 . . . no H10 C17 H29 87.7 . . . no H10 C17 H31 51.4 . . . no H10 C17 H32 64.2 . . . no H12 C17 H12 108.8 . . . no H12 C17 H13 39.4 . . . no H12 C17 H14 86.7 . . . no H12 C17 H15 179.2 . . . no H12 C17 H16 88.6 . . . no H12 C17 H19 80.3 . . . no H12 C17 H21 73.8 . . . no H12 C17 H26 139.1 . . . no H12 C17 H29 59.3 . . . no H12 C17 H31 105.0 . . . no H12 C17 H32 68.5 . . . no H12 C17 H13 91.4 4_565 4_565 4_565 no H12 C17 H14 69.8 4_565 4_565 4_565 no H12 C17 H15 71.1 4_565 4_565 4_565 no H12 C17 H16 112.3 4_565 4_565 4_565 no H12 C17 H19 97.5 4_565 4_565 4_565 no H12 C17 H21 40.5 4_565 4_565 4_565 no H12 C17 H26 102.2 4_565 4_565 4_565 no H12 C17 H29 55.1 4_565 4_565 4_565 no H12 C17 H31 142.6 4_565 4_565 4_565 no H12 C17 H32 168.6 4_565 4_565 4_565 no H13 C17 H14 47.3 . . . no H13 C17 H15 139.8 . . . no H13 C17 H16 128.0 . . . no H13 C17 H19 46.3 . . . no H13 C17 H21 51.1 . . . no H13 C17 H26 115.8 . . . no H13 C17 H29 68.7 . . . no H13 C17 H31 125.5 . . . no H13 C17 H32 79.7 . . . no H14 C17 H15 92.6 . . . no H14 C17 H16 175.3 . . . no H14 C17 H19 27.9 . . . no H14 C17 H21 47.6 . . . no H14 C17 H26 79.6 . . . no H14 C17 H29 90.5 . . . no H14 C17 H31 128.5 . . . no H14 C17 H32 98.9 . . . no H15 C17 H16 92.1 . . . no H15 C17 H19 99.0 . . . no H15 C17 H21 105.8 . . . no H15 C17 H26 40.5 . . . no H15 C17 H29 120.9 . . . no H15 C17 H31 75.3 . . . no H15 C17 H32 111.5 . . . no H16 C17 H19 150.2 . . . no H16 C17 H21 131.2 . . . no H16 C17 H26 103.8 . . . no H16 C17 H29 87.5 . . . no H16 C17 H31 52.5 . . . no H16 C17 H32 78.9 . . . no H19 C17 H21 72.0 4_575 4_575 4_575 no H19 C17 H26 69.7 4_575 4_575 4_575 no H19 C17 H29 109.6 4_575 4_575 4_575 no H19 C17 H31 103.8 4_575 4_575 4_575 no H19 C17 H32 71.3 4_575 4_575 4_575 no H21 C17 H26 119.4 2_646 2_646 2_646 no H21 C17 H29 44.2 2_646 2_646 2_646 no H21 C17 H31 175.7 2_646 2_646 2_646 no H21 C17 H32 130.7 2_646 2_646 2_646 no H26 C17 H29 157.3 4_575 4_575 4_575 no H26 C17 H31 58.7 4_575 4_575 4_575 no H26 C17 H32 75.8 4_575 4_575 4_575 no H29 C17 H31 138.8 1_545 1_545 1_545 no H29 C17 H32 126.2 1_545 1_545 1_545 no H31 C17 H32 45.8 . . . no N2 C18 C8 62.8(4) 2_655 2_655 2_655 ? N2 C18 C9 108.9(5) 2_655 2_655 2_655 ? N2 C18 C9 78.1(4) 2_655 2_655 2_655 ? N2 C18 C10 98.5(7) 2_655 2_655 2_655 ? N2 C18 C11 70.6(5) 2_655 2_655 2_655 ? N2 C18 C13 128.4(12) 2_655 2_655 2_655 ? N2 C18 C14 155.3(8) 2_655 2_655 2_655 ? N2 C18 C15 164.6(8) 2_655 2_655 2_655 ? N2 C18 C16 140.5(9) 2_655 2_655 2_655 ? N2 C18 C17 113.9(12) 2_655 2_655 2_655 ? N2 C18 C35 62.5(4) 2_655 2_655 2_655 ? N2 C18 C36 82.6(5) 2_655 2_655 2_655 ? N2 C18 H2 83.1 2_655 2_655 2_655 no N2 C18 H7 40.1 2_655 2_655 2_655 no N2 C18 H8 49.2 2_655 2_655 2_655 no N2 C18 H9 83.9 2_655 2_655 2_655 no N2 C18 H10 50.6 2_655 2_655 2_655 no N2 C18 H12 147.4 2_655 2_655 2_655 no N2 C18 H13 164.0 2_655 2_655 2_655 no N2 C18 H14 131.5 2_655 2_655 2_655 no N2 C18 H15 87.4 2_655 2_655 2_655 no N2 C18 H16 12.6 2_655 2_655 2_655 no N2 C18 H29 130.6 2_655 2_655 2_655 no N2 C18 H31 48.1 2_655 2_655 2_655 no N2 C18 H32 94.2 2_655 2_655 2_655 no C8 C18 C9 102.0(6) 4_565 4_565 4_565 ? C8 C18 C9 21.0(3) 4_565 4_565 4_565 ? C8 C18 C10 104.0(7) 4_565 4_565 4_565 ? C8 C18 C11 93.6(6) 4_565 4_565 4_565 ? C8 C18 C13 122.3(11) 4_565 4_565 4_565 ? C8 C18 C14 131.8(7) 4_565 4_565 4_565 ? C8 C18 C15 127.0(7) 4_565 4_565 4_565 ? C8 C18 C16 112.0(7) 4_565 4_565 4_565 ? C8 C18 C17 95.2(10) 4_565 4_565 4_565 ? C8 C18 C35 117.1(6) 4_565 4_565 4_565 ? C8 C18 C36 138.7(6) 4_565 4_565 4_565 ? C8 C18 H2 46.5 4_565 4_565 4_565 no C8 C18 H7 51.4 4_565 4_565 4_565 no C8 C18 H8 13.6 4_565 4_565 4_565 no C8 C18 H9 35.7 4_565 4_565 4_565 no C8 C18 H10 89.8 4_565 4_565 4_565 no C8 C18 H12 131.7 4_565 4_565 4_565 no C8 C18 H13 127.2 4_565 4_565 4_565 no C8 C18 H14 106.3 4_565 4_565 4_565 no C8 C18 H15 76.7 4_565 4_565 4_565 no C8 C18 H16 56.1 4_565 4_565 4_565 no C8 C18 H29 70.2 4_565 4_565 4_565 no C8 C18 H31 104.8 4_565 4_565 4_565 no C8 C18 H32 153.3 4_565 4_565 4_565 no C9 C18 C9 112.0(4) . . . ? C9 C18 C10 12.6(5) . . . ? C9 C18 C11 39.7(5) . . . ? C9 C18 C13 24.4(9) . . . ? C9 C18 C14 52.8(6) . . . ? C9 C18 C15 81.9(6) . . . ? C9 C18 C16 110.4(7) . . . ? C9 C18 C17 137.1(12) . . . ? C9 C18 C35 123.0(5) . . . ? C9 C18 C36 110.5(5) . . . ? C9 C18 H2 55.5 . . . no C9 C18 H7 143.3 . . . no C9 C18 H8 105.4 . . . no C9 C18 H9 124.4 . . . no C9 C18 H10 61.4 . . . no C9 C18 H12 45.0 . . . no C9 C18 H13 82.5 . . . no C9 C18 H14 119.6 . . . no C9 C18 H15 161.2 . . . no C9 C18 H16 99.0 . . . no C9 C18 H29 66.4 . . . no C9 C18 H31 123.2 . . . no C9 C18 H32 98.1 . . . no C9 C18 C10 117.8(7) 4_565 4_565 4_565 ? C9 C18 C11 113.3(6) 4_565 4_565 4_565 ? C9 C18 C13 125.6(10) 4_565 4_565 4_565 ? C9 C18 C14 122.2(6) 4_565 4_565 4_565 ? C9 C18 C15 108.6(6) 4_565 4_565 4_565 ? C9 C18 C16 91.0(6) 4_565 4_565 4_565 ? C9 C18 C17 75.3(9) 4_565 4_565 4_565 ? C9 C18 C35 119.4(6) 4_565 4_565 4_565 ? C9 C18 C36 137.0(6) 4_565 4_565 4_565 ? C9 C18 H2 58.9 4_565 4_565 4_565 no C9 C18 H7 53.5 4_565 4_565 4_565 no C9 C18 H8 31.8 4_565 4_565 4_565 no C9 C18 H9 15.8 4_565 4_565 4_565 no C9 C18 H10 110.8 4_565 4_565 4_565 no C9 C18 H12 125.7 4_565 4_565 4_565 no C9 C18 H13 108.7 4_565 4_565 4_565 no C9 C18 H14 85.3 4_565 4_565 4_565 no C9 C18 H15 61.2 4_565 4_565 4_565 no C9 C18 H16 74.1 4_565 4_565 4_565 no C9 C18 H29 61.5 4_565 4_565 4_565 no C9 C18 H31 110.8 4_565 4_565 4_565 no C9 C18 H32 149.9 4_565 4_565 4_565 no C10 C18 C11 28.1(4) . . . ? C10 C18 C13 31.1(9) . . . ? C10 C18 C14 60.7(8) . . . ? C10 C18 C15 90.6(8) . . . ? C10 C18 C16 119.9(9) . . . ? C10 C18 C17 147.2(14) . . . ? C10 C18 C35 112.2(6) . . . ? C10 C18 C36 102.7(6) . . . ? C10 C18 H2 59.1 . . . no C10 C18 H7 136.2 . . . no C10 C18 H8 104.4 . . . no C10 C18 H9 132.1 . . . no C10 C18 H10 49.4 . . . no C10 C18 H12 52.4 . . . no C10 C18 H13 91.1 . . . no C10 C18 H14 129.2 . . . no C10 C18 H15 173.7 . . . no C10 C18 H16 89.8 . . . no C10 C18 H29 78.5 . . . no C10 C18 H31 111.0 . . . no C10 C18 H32 92.0 . . . no C11 C18 C13 58.0(10) . . . ? C11 C18 C14 87.2(8) . . . ? C11 C18 C15 117.0(8) . . . ? C11 C18 C16 146.1(9) . . . ? C11 C18 C17 171.2(12) . . . ? C11 C18 C35 95.5(5) . . . ? C11 C18 C36 95.4(5) . . . ? C11 C18 H2 60.1 . . . no C11 C18 H7 109.6 . . . no C11 C18 H8 88.2 . . . no C11 C18 H9 129.0 . . . no C11 C18 H10 21.7 . . . no C11 C18 H12 78.8 . . . no C11 C18 H13 117.4 . . . no C11 C18 H14 155.3 . . . no C11 C18 H15 157.9 . . . no C11 C18 H16 62.9 . . . no C11 C18 H29 99.2 . . . no C11 C18 H31 89.2 . . . no C11 C18 H32 90.7 . . . no C13 C18 C14 29.6(9) . . . ? C13 C18 C15 59.6(10) . . . ? C13 C18 C16 88.9(11) . . . ? C13 C18 C17 116.3(16) . . . ? C13 C18 C35 114.9(10) . . . ? C13 C18 C36 96.3(9) . . . ? C13 C18 H2 76.6 . . . no C13 C18 H7 167.2 . . . no C13 C18 H8 128.4 . . . no C13 C18 H9 132.4 . . . no C13 C18 H10 77.8 . . . no C13 C18 H12 21.4 . . . no C13 C18 H13 60.1 . . . no C13 C18 H14 98.3 . . . no C13 C18 H15 143.6 . . . no C13 C18 H16 120.7 . . . no C13 C18 H29 67.2 . . . no C13 C18 H31 121.8 . . . no C13 C18 H32 82.0 . . . no C14 C18 C15 30.0(4) . . . ? C14 C18 C16 59.3(6) . . . ? C14 C18 C17 86.7(11) . . . ? C14 C18 C35 110.8(7) . . . ? C14 C18 C36 88.9(6) . . . ? C14 C18 H2 95.5 . . . no C14 C18 H7 163.1 . . . no C14 C18 H8 143.9 . . . no C14 C18 H9 119.5 . . . no C14 C18 H10 105.5 . . . no C14 C18 H12 8.4 . . . no C14 C18 H13 30.5 . . . no C14 C18 H14 68.7 . . . no C14 C18 H15 114.1 . . . no C14 C18 H16 150.1 . . . no C14 C18 H29 62.1 . . . no C14 C18 H31 123.5 . . . no C14 C18 H32 74.7 . . . no C15 C18 C16 29.3(4) . . . ? C15 C18 C17 56.7(9) . . . ? C15 C18 C35 102.6(7) . . . ? C15 C18 C36 83.3(6) . . . ? C15 C18 H2 112.3 . . . no C15 C18 H7 133.1 . . . no C15 C18 H8 140.0 . . . no C15 C18 H9 99.2 . . . no C15 C18 H10 133.7 . . . no C15 C18 H12 38.4 . . . no C15 C18 H13 0.7 . . . no C15 C18 H14 38.7 . . . no C15 C18 H15 84.1 . . . no C15 C18 H16 176.6 . . . no C15 C18 H29 63.3 . . . no C15 C18 H31 117.0 . . . no C15 C18 H32 73.0 . . . no C16 C18 C17 27.4(8) . . . ? C16 C18 C35 92.2(7) . . . ? C16 C18 C36 80.1(6) . . . ? C16 C18 H2 123.4 . . . no C16 C18 H7 103.8 . . . no C16 C18 H8 121.3 . . . no C16 C18 H9 77.5 . . . no C16 C18 H10 158.2 . . . no C16 C18 H12 67.7 . . . no C16 C18 H13 28.9 . . . no C16 C18 H14 9.4 . . . no C16 C18 H15 54.8 . . . no C16 C18 H16 150.3 . . . no C16 C18 H29 71.0 . . . no C16 C18 H31 104.4 . . . no C16 C18 H32 76.4 . . . no C17 C18 C35 80.8(11) . . . ? C17 C18 C36 78.1(10) . . . ? C17 C18 H2 126.9 . . . no C17 C18 H7 76.4 . . . no C17 C18 H8 100.4 . . . no C17 C18 H9 59.7 . . . no C17 C18 H10 158.4 . . . no C17 C18 H12 95.1 . . . no C17 C18 H13 56.3 . . . no C17 C18 H14 18.0 . . . no C17 C18 H15 27.4 . . . no C17 C18 H16 122.9 . . . no C17 C18 H29 83.5 . . . no C17 C18 H31 88.9 . . . no C17 C18 H32 81.6 . . . no C35 C18 C36 21.9(3) . . . ? C35 C18 H2 143.6 . . . no C35 C18 H7 67.1 . . . no C35 C18 H8 105.3 . . . no C35 C18 H9 111.1 . . . no C35 C18 H10 78.2 . . . no C35 C18 H12 111.1 . . . no C35 C18 H13 102.0 . . . no C35 C18 H14 88.4 . . . no C35 C18 H15 72.3 . . . no C35 C18 H16 74.2 . . . no C35 C18 H29 163.2 . . . no C35 C18 H31 14.4 . . . no C35 C18 H32 36.2 . . . no C36 C18 H2 154.7 . . . no C36 C18 H7 87.8 . . . no C36 C18 H8 127.2 . . . no C36 C18 H9 125.0 . . . no C36 C18 H10 84.3 . . . no C36 C18 H12 89.6 . . . no C36 C18 H13 82.8 . . . no C36 C18 H14 79.3 . . . no C36 C18 H15 80.1 . . . no C36 C18 H16 93.4 . . . no C36 C18 H29 146.5 . . . no C36 C18 H31 35.4 . . . no C36 C18 H32 14.7 . . . no H2 C18 H7 94.6 4_565 4_565 4_565 no H2 C18 H8 52.0 4_565 4_565 4_565 no H2 C18 H9 73.9 4_565 4_565 4_565 no H2 C18 H10 70.5 4_565 4_565 4_565 no H2 C18 H12 91.3 4_565 4_565 4_565 no H2 C18 H13 112.9 4_565 4_565 4_565 no H2 C18 H14 125.4 4_565 4_565 4_565 no H2 C18 H15 120.0 4_565 4_565 4_565 no H2 C18 H16 70.7 4_565 4_565 4_565 no H2 C18 H29 52.8 4_565 4_565 4_565 no H2 C18 H31 129.9 4_565 4_565 4_565 no H2 C18 H32 149.9 4_565 4_565 4_565 no H7 C18 H8 42.7 2_655 2_655 2_655 no H7 C18 H9 51.0 2_655 2_655 2_655 no H7 C18 H10 90.6 2_655 2_655 2_655 no H7 C18 H12 171.4 2_655 2_655 2_655 no H7 C18 H13 132.6 2_655 2_655 2_655 no H7 C18 H14 94.4 2_655 2_655 2_655 no H7 C18 H15 49.0 2_655 2_655 2_655 no H7 C18 H16 46.8 2_655 2_655 2_655 no H7 C18 H29 114.8 2_655 2_655 2_655 no H7 C18 H31 57.3 2_655 2_655 2_655 no H7 C18 H32 102.5 2_655 2_655 2_655 no H8 C18 H9 43.9 4_565 4_565 4_565 no H8 C18 H10 80.3 4_565 4_565 4_565 no H8 C18 H12 142.2 4_565 4_565 4_565 no H8 C18 H13 140.2 4_565 4_565 4_565 no H8 C18 H14 114.3 4_565 4_565 4_565 no H8 C18 H15 77.8 4_565 4_565 4_565 no H8 C18 H16 42.9 4_565 4_565 4_565 no H8 C18 H29 83.4 4_565 4_565 4_565 no H8 C18 H31 92.2 4_565 4_565 4_565 no H8 C18 H32 141.2 4_565 4_565 4_565 no H9 C18 H10 124.2 4_565 4_565 4_565 no H9 C18 H12 125.3 4_565 4_565 4_565 no H9 C18 H13 99.2 4_565 4_565 4_565 no H9 C18 H14 70.9 4_565 4_565 4_565 no H9 C18 H15 46.2 4_565 4_565 4_565 no H9 C18 H16 83.0 4_565 4_565 4_565 no H9 C18 H29 65.1 4_565 4_565 4_565 no H9 C18 H31 105.8 4_565 4_565 4_565 no H9 C18 H32 135.8 4_565 4_565 4_565 no H10 C18 H12 97.3 . . . no H10 C18 H13 133.9 . . . no H10 C18 H14 162.6 . . . no H10 C18 H15 136.8 . . . no H10 C18 H16 45.3 . . . no H10 C18 H29 117.9 . . . no H10 C18 H31 69.5 . . . no H10 C18 H32 84.5 . . . no H12 C18 H13 38.8 . . . no H12 C18 H14 77.1 . . . no H12 C18 H15 122.4 . . . no H12 C18 H16 141.7 . . . no H12 C18 H29 64.3 . . . no H12 C18 H31 122.5 . . . no H12 C18 H32 75.0 . . . no H13 C18 H14 38.3 . . . no H13 C18 H15 83.6 . . . no H13 C18 H16 176.1 . . . no H13 C18 H29 63.8 . . . no H13 C18 H31 116.4 . . . no H13 C18 H32 72.6 . . . no H14 C18 H15 45.4 . . . no H14 C18 H16 141.0 . . . no H14 C18 H29 74.8 . . . no H14 C18 H31 99.4 . . . no H14 C18 H32 78.1 . . . no H15 C18 H16 95.7 . . . no H15 C18 H29 96.1 . . . no H15 C18 H31 74.6 . . . no H15 C18 H32 89.7 . . . no H16 C18 H29 120.1 . . . no H16 C18 H31 59.8 . . . no H16 C18 H32 103.6 . . . no H29 C18 H31 170.3 1_545 1_545 1_545 no H29 C18 H32 134.9 1_545 1_545 1_545 no H31 C18 H32 48.9 . . . no O2 C19 O2 114.3(13) . . . ? O2 C19 N3 118.4(20) . . . ? O2 C19 N4 121.7(24) . . . ? O2 C19 N4 84.8(11) . . . ? O2 C19 C19 96.4(15) . . . ? O2 C19 C20 147.4(19) . . . ? O2 C19 C21 176.4(18) . . . ? O2 C19 C22 152.5(21) . . . ? O2 C19 C22 63.6(10) . . . ? O2 C19 C23 135.2(16) . . . ? O2 C19 C24 140.5(17) . . . ? O2 C19 C25 87.5(13) . . . ? O2 C19 C26 80.7(13) . . . ? O2 C19 C27 54.2(12) . . . ? O2 C19 C30 80.2(13) . . . ? O2 C19 H13 111.4 . . . no O2 C19 H17 175.8 . . . no O2 C19 H17 42.0 . . . no O2 C19 H18 116.1 . . . no O2 C19 H19 120.2 . . . no O2 C19 H22 75.6 . . . no O2 C19 H23 128.4 . . . no O2 C19 H23 53.7 . . . no O2 C19 H24 86.5 . . . no O2 C19 H24 21.8 . . . no O2 C19 H25 64.0 . . . no O2 C19 H27 85.1 . . . no O2 C19 N3 98.1(11) 3_676 3_676 3_676 ? O2 C19 N4 56.9(10) 3_676 3_676 3_676 ? O2 C19 N4 34.5(4) 3_676 3_676 3_676 ? O2 C19 C19 17.9(4) 3_676 3_676 3_676 ? O2 C19 C20 80.6(7) 3_676 3_676 3_676 ? O2 C19 C21 65.2(6) 3_676 3_676 3_676 ? O2 C19 C22 56.0(6) 3_676 3_676 3_676 ? O2 C19 C22 53.2(4) 3_676 3_676 3_676 ? O2 C19 C23 87.5(6) 3_676 3_676 3_676 ? O2 C19 C24 54.3(4) 3_676 3_676 3_676 ? O2 C19 C25 115.7(8) 3_676 3_676 3_676 ? O2 C19 C26 139.8(7) 3_676 3_676 3_676 ? O2 C19 C27 90.5(5) 3_676 3_676 3_676 ? O2 C19 C30 100.3(5) 3_676 3_676 3_676 ? O2 C19 H13 114.3 3_676 3_676 3_676 no O2 C19 H17 63.9 3_676 3_676 3_676 no O2 C19 H17 151.7 3_676 3_676 3_676 no O2 C19 H18 129.6 3_676 3_676 3_676 no O2 C19 H19 100.0 3_676 3_676 3_676 no O2 C19 H22 144.7 3_676 3_676 3_676 no O2 C19 H23 42.8 3_676 3_676 3_676 no O2 C19 H23 80.3 3_676 3_676 3_676 no O2 C19 H24 151.5 3_676 3_676 3_676 no O2 C19 H24 101.3 3_676 3_676 3_676 no O2 C19 H25 86.4 3_676 3_676 3_676 no O2 C19 H27 82.5 3_676 3_676 3_676 no N3 C19 N4 119.8(20) . . . ? N3 C19 N4 98.3(10) . . . ? N3 C19 C19 108.3(13) . . . ? N3 C19 C20 29.0(9) . . . ? N3 C19 C21 58.6(11) . . . ? N3 C19 C22 89.1(13) . . . ? N3 C19 C22 108.9(11) . . . ? N3 C19 C23 16.8(9) . . . ? N3 C19 C24 101.0(13) . . . ? N3 C19 C25 31.0(9) . . . ? N3 C19 C26 45.3(9) . . . ? N3 C19 C27 170.7(13) . . . ? N3 C19 C30 42.0(9) . . . ? N3 C19 H13 98.9 . . . no N3 C19 H17 59.0 . . . no N3 C19 H17 107.5 . . . no N3 C19 H18 59.0 . . . no N3 C19 H19 3.9 . . . no N3 C19 H22 106.4 . . . no N3 C19 H23 111.3 . . . no N3 C19 H23 85.3 . . . no N3 C19 H24 53.6 . . . no N3 C19 H24 139.9 . . . no N3 C19 H25 172.7 . . . no N3 C19 H27 47.7 . . . no N4 C19 N4 86.9(13) . . . ? N4 C19 C19 65.3(11) . . . ? N4 C19 C20 90.8(14) . . . ? N4 C19 C21 61.3(11) . . . ? N4 C19 C22 30.8(9) . . . ? N4 C19 C22 97.0(13) . . . ? N4 C19 C23 103.0(14) . . . ? N4 C19 C24 18.9(10) . . . ? N4 C19 C25 150.7(18) . . . ? N4 C19 C26 147.2(15) . . . ? N4 C19 C27 67.9(13) . . . ? N4 C19 C30 152.4(15) . . . ? N4 C19 H13 59.6 . . . no N4 C19 H17 60.9 . . . no N4 C19 H17 116.4 . . . no N4 C19 H18 93.9 . . . no N4 C19 H19 118.0 . . . no N4 C19 H22 88.6 . . . no N4 C19 H23 15.3 . . . no N4 C19 H23 131.3 . . . no N4 C19 H24 129.5 . . . no N4 C19 H24 100.2 . . . no N4 C19 H25 58.2 . . . no N4 C19 H27 137.2 . . . no N4 C19 C19 21.6(3) 3_676 3_676 3_676 ? N4 C19 C20 96.4(7) 3_676 3_676 3_676 ? N4 C19 C21 93.6(7) 3_676 3_676 3_676 ? N4 C19 C22 90.4(8) 3_676 3_676 3_676 ? N4 C19 C22 21.2(2) 3_676 3_676 3_676 ? N4 C19 C23 96.9(6) 3_676 3_676 3_676 ? N4 C19 C24 88.3(7) 3_676 3_676 3_676 ? N4 C19 C25 98.6(8) 3_676 3_676 3_676 ? N4 C19 C26 121.0(9) 3_676 3_676 3_676 ? N4 C19 C27 87.0(6) 3_676 3_676 3_676 ? N4 C19 C30 78.0(6) 3_676 3_676 3_676 ? N4 C19 H13 146.5 3_676 3_676 3_676 no N4 C19 H17 92.3 3_676 3_676 3_676 no N4 C19 H17 126.8 3_676 3_676 3_676 no N4 C19 H18 154.1 3_676 3_676 3_676 no N4 C19 H19 101.8 3_676 3_676 3_676 no N4 C19 H22 153.7 3_676 3_676 3_676 no N4 C19 H23 75.1 3_676 3_676 3_676 no N4 C19 H23 46.3 3_676 3_676 3_676 no N4 C19 H24 140.6 3_676 3_676 3_676 no N4 C19 H24 79.5 3_676 3_676 3_676 no N4 C19 H25 88.7 3_676 3_676 3_676 no N4 C19 H27 60.9 3_676 3_676 3_676 no C19 C19 C20 96.1(9) 3_676 3_676 3_676 ? C19 C19 C21 83.1(8) 3_676 3_676 3_676 ? C19 C19 C22 71.9(8) 3_676 3_676 3_676 ? C19 C19 C22 36.6(5) 3_676 3_676 3_676 ? C19 C19 C23 101.1(9) 3_676 3_676 3_676 ? C19 C19 C24 67.9(7) 3_676 3_676 3_676 ? C19 C19 C25 117.3(11) 3_676 3_676 3_676 ? C19 C19 C26 141.1(11) 3_676 3_676 3_676 ? C19 C19 C27 79.2(9) 3_676 3_676 3_676 ? C19 C19 C30 98.0(8) 3_676 3_676 3_676 ? C19 C19 H13 124.9 3_676 3_676 3_676 no C19 C19 H17 81.8 3_676 3_676 3_676 no C19 C19 H17 135.2 3_676 3_676 3_676 no C19 C19 H18 147.4 3_676 3_676 3_676 no C19 C19 H19 111.1 3_676 3_676 3_676 no C19 C19 H22 143.8 3_676 3_676 3_676 no C19 C19 H23 53.8 3_676 3_676 3_676 no C19 C19 H23 67.4 3_676 3_676 3_676 no C19 C19 H24 159.7 3_676 3_676 3_676 no C19 C19 H24 84.2 3_676 3_676 3_676 no C19 C19 H25 77.5 3_676 3_676 3_676 no C19 C19 H27 80.1 3_676 3_676 3_676 no C20 C19 C21 29.6(5) . . . ? C20 C19 C22 60.1(8) . . . ? C20 C19 C22 114.8(8) . . . ? C20 C19 C23 12.2(6) . . . ? C20 C19 C24 72.0(8) . . . ? C20 C19 C25 60.1(9) . . . ? C20 C19 C26 70.7(8) . . . ? C20 C19 C27 158.3(10) . . . ? C20 C19 C30 68.3(8) . . . ? C20 C19 H13 85.2 . . . no C20 C19 H17 30.0 . . . no C20 C19 H17 127.7 . . . no C20 C19 H18 57.7 . . . no C20 C19 H19 27.6 . . . no C20 C19 H22 109.5 . . . no C20 C19 H23 82.7 . . . no C20 C19 H23 105.0 . . . no C20 C19 H24 71.9 . . . no C20 C19 H24 168.0 . . . no C20 C19 H25 148.4 . . . no C20 C19 H27 67.7 . . . no C21 C19 C22 30.5(5) . . . ? C21 C19 C22 114.8(7) . . . ? C21 C19 C23 41.8(6) . . . ? C21 C19 C24 42.4(6) . . . ? C21 C19 C25 89.6(10) . . . ? C21 C19 C26 97.4(9) . . . ? C21 C19 C27 129.0(9) . . . ? C21 C19 C30 96.4(9) . . . ? C21 C19 H13 71.6 . . . no C21 C19 H17 1.3 . . . no C21 C19 H17 139.5 . . . no C21 C19 H18 64.6 . . . no C21 C19 H19 57.0 . . . no C21 C19 H22 106.8 . . . no C21 C19 H23 53.9 . . . no C21 C19 H23 123.1 . . . no C21 C19 H24 92.7 . . . no C21 C19 H24 160.7 . . . no C21 C19 H25 119.2 . . . no C21 C19 H27 91.4 . . . no C22 C19 C22 108.4(8) . . . ? C22 C19 C23 72.3(8) . . . ? C22 C19 C24 11.9(6) . . . ? C22 C19 C25 120.1(12) . . . ? C22 C19 C26 124.1(11) . . . ? C22 C19 C27 98.6(10) . . . ? C22 C19 C30 125.3(10) . . . ? C22 C19 H13 61.5 . . . no C22 C19 H17 30.2 . . . no C22 C19 H17 134.5 . . . no C22 C19 H18 77.7 . . . no C22 C19 H19 87.3 . . . no C22 C19 H22 98.8 . . . no C22 C19 H23 25.6 . . . no C22 C19 H23 134.6 . . . no C22 C19 H24 113.2 . . . no C22 C19 H24 130.8 . . . no C22 C19 H25 88.8 . . . no C22 C19 H27 116.0 . . . no C22 C19 C23 112.5(6) 3_676 3_676 3_676 ? C22 C19 C24 103.8(6) 3_676 3_676 3_676 ? C22 C19 C25 98.2(8) 3_676 3_676 3_676 ? C22 C19 C26 115.2(7) 3_676 3_676 3_676 ? C22 C19 C27 73.7(6) 3_676 3_676 3_676 ? C22 C19 C30 77.1(5) 3_676 3_676 3_676 ? C22 C19 H13 150.5 3_676 3_676 3_676 no C22 C19 H17 113.5 3_676 3_676 3_676 no C22 C19 H17 105.6 3_676 3_676 3_676 no C22 C19 H18 167.0 3_676 3_676 3_676 no C22 C19 H19 112.8 3_676 3_676 3_676 no C22 C19 H22 135.1 3_676 3_676 3_676 no C22 C19 H23 88.6 3_676 3_676 3_676 no C22 C19 H23 34.6 3_676 3_676 3_676 no C22 C19 H24 133.5 3_676 3_676 3_676 no C22 C19 H24 59.4 3_676 3_676 3_676 no C22 C19 H25 78.3 3_676 3_676 3_676 no C22 C19 H27 63.5 3_676 3_676 3_676 no C23 C19 C24 84.2(6) . . . ? C23 C19 C25 47.9(6) . . . ? C23 C19 C26 60.0(5) . . . ? C23 C19 C27 170.0(7) . . . ? C23 C19 C30 56.8(5) . . . ? C23 C19 H13 91.5 . . . no C23 C19 H17 42.2 . . . no C23 C19 H17 120.1 . . . no C23 C19 H18 57.6 . . . no C23 C19 H19 15.8 . . . no C23 C19 H22 109.4 . . . no C23 C19 H23 94.6 . . . no C23 C19 H23 96.4 . . . no C23 C19 H24 64.1 . . . no C23 C19 H24 156.3 . . . no C23 C19 H25 160.3 . . . no C23 C19 H27 58.3 . . . no C24 C19 C25 132.0(10) . . . ? C24 C19 C26 134.4(8) . . . ? C24 C19 C27 86.7(6) . . . ? C24 C19 C30 136.0(8) . . . ? C24 C19 H13 60.3 . . . no C24 C19 H17 42.1 . . . no C24 C19 H17 129.0 . . . no C24 C19 H18 84.4 . . . no C24 C19 H19 99.3 . . . no C24 C19 H22 95.6 . . . no C24 C19 H23 16.0 . . . no C24 C19 H23 134.5 . . . no C24 C19 H24 121.0 . . . no C24 C19 H24 118.8 . . . no C24 C19 H25 77.0 . . . no C24 C19 H27 124.5 . . . no C25 C19 C26 24.5(4) . . . ? C25 C19 C27 140.8(9) . . . ? C25 C19 C30 21.3(5) . . . ? C25 C19 H13 110.8 . . . no C25 C19 H17 90.0 . . . no C25 C19 H17 83.1 . . . no C25 C19 H18 68.9 . . . no C25 C19 H19 32.7 . . . no C25 C19 H22 97.9 . . . no C25 C19 H23 141.6 . . . no C25 C19 H23 65.7 . . . no C25 C19 H24 42.6 . . . no C25 C19 H24 109.1 . . . no C25 C19 H25 149.9 . . . no C25 C19 H27 37.7 . . . no C26 C19 C27 125.4(7) . . . ? C26 C19 C30 43.2(5) . . . ? C26 C19 H13 91.2 . . . no C26 C19 H17 98.3 . . . no C26 C19 H17 62.5 . . . no C26 C19 H18 53.5 . . . no C26 C19 H19 44.7 . . . no C26 C19 H22 73.4 . . . no C26 C19 H23 149.8 . . . no C26 C19 H23 80.6 . . . no C26 C19 H24 19.7 . . . no C26 C19 H24 101.6 . . . no C26 C19 H25 131.9 . . . no C26 C19 H27 61.0 . . . no C27 C19 C30 133.1(8) 2_646 2_646 2_646 ? C27 C19 H13 80.4 2_646 2_646 2_646 no C27 C19 H17 128.8 2_646 2_646 2_646 no C27 C19 H17 63.4 2_646 2_646 2_646 no C27 C19 H18 117.4 2_646 2_646 2_646 no C27 C19 H19 169.4 2_646 2_646 2_646 no C27 C19 H22 67.4 2_646 2_646 2_646 no C27 C19 H23 77.4 2_646 2_646 2_646 no C27 C19 H23 92.9 2_646 2_646 2_646 no C27 C19 H24 117.9 2_646 2_646 2_646 no C27 C19 H24 33.5 2_646 2_646 2_646 no C27 C19 H25 9.9 2_646 2_646 2_646 no C27 C19 H27 131.1 2_646 2_646 2_646 no C30 C19 H13 132.1 . . . no C30 C19 H17 96.3 . . . no C30 C19 H17 91.0 . . . no C30 C19 H18 90.0 . . . no C30 C19 H19 45.2 . . . no C30 C19 H22 114.9 . . . no C30 C19 H23 137.6 . . . no C30 C19 H23 45.8 . . . no C30 C19 H24 62.6 . . . no C30 C19 H24 99.7 . . . no C30 C19 H25 142.9 . . . no C30 C19 H27 18.0 . . . no H13 C19 H17 72.6 2_656 2_656 2_656 no H13 C19 H17 74.0 2_656 2_656 2_656 no H13 C19 H18 42.5 2_656 2_656 2_656 no H13 C19 H19 95.0 2_656 2_656 2_656 no H13 C19 H22 37.8 2_656 2_656 2_656 no H13 C19 H23 71.9 2_656 2_656 2_656 no H13 C19 H23 163.8 2_656 2_656 2_656 no H13 C19 H24 71.6 2_656 2_656 2_656 no H13 C19 H24 104.5 2_656 2_656 2_656 no H13 C19 H25 74.0 2_656 2_656 2_656 no H13 C19 H27 145.8 2_656 2_656 2_656 no H17 C19 H17 140.9 . . . no H17 C19 H18 65.9 . . . no H17 C19 H19 57.5 . . . no H17 C19 H22 108.0 . . . no H17 C19 H23 53.2 . . . no H17 C19 H23 122.2 . . . no H17 C19 H24 93.9 . . . no H17 C19 H24 160.0 . . . no H17 C19 H25 119.0 . . . no H17 C19 H27 90.9 . . . no H17 C19 H18 75.7 4_575 4_575 4_575 no H17 C19 H19 106.3 4_575 4_575 4_575 no H17 C19 H22 36.2 4_575 4_575 4_575 no H17 C19 H23 131.4 4_575 4_575 4_575 no H17 C19 H23 89.8 4_575 4_575 4_575 no H17 C19 H24 56.1 4_575 4_575 4_575 no H17 C19 H24 50.9 4_575 4_575 4_575 no H17 C19 H25 69.5 4_575 4_575 4_575 no H17 C19 H27 105.8 4_575 4_575 4_575 no H18 C19 H19 55.2 3_686 3_686 3_686 no H18 C19 H22 52.1 3_686 3_686 3_686 no H18 C19 H23 100.2 3_686 3_686 3_686 no H18 C19 H23 133.6 3_686 3_686 3_686 no H18 C19 H24 36.6 3_686 3_686 3_686 no H18 C19 H24 125.6 3_686 3_686 3_686 no H18 C19 H25 113.7 3_686 3_686 3_686 no H18 C19 H27 103.5 3_686 3_686 3_686 no H19 C19 H22 103.1 . . . no H19 C19 H23 110.3 . . . no H19 C19 H23 89.1 . . . no H19 C19 H24 51.5 . . . no H19 C19 H24 141.8 . . . no H19 C19 H25 168.9 . . . no H19 C19 H27 51.5 . . . no H22 C19 H23 103.5 4_575 4_575 4_575 no H22 C19 H23 126.0 4_575 4_575 4_575 no H22 C19 H24 56.4 4_575 4_575 4_575 no H22 C19 H24 75.8 4_575 4_575 4_575 no H22 C19 H25 67.1 4_575 4_575 4_575 no H22 C19 H27 132.7 4_575 4_575 4_575 no H23 C19 H23 121.2 . . . no H23 C19 H24 136.8 . . . no H23 C19 H24 106.8 . . . no H23 C19 H25 68.4 . . . no H23 C19 H27 121.9 . . . no H23 C19 H24 99.2 3_676 3_676 3_676 no H23 C19 H24 64.0 3_676 3_676 3_676 no H23 C19 H25 101.1 3_676 3_676 3_676 no H23 C19 H27 38.2 3_676 3_676 3_676 no H24 C19 H24 104.1 . . . no H24 C19 H25 121.3 . . . no H24 C19 H27 80.1 . . . no H24 C19 H25 43.4 2_646 2_646 2_646 no H24 C19 H27 100.7 2_646 2_646 2_646 no H25 C19 H27 139.0 2_646 2_646 2_646 no O2 C20 O2 153.0(6) . . . ? O2 C20 N3 19.6(9) . . . ? O2 C20 N4 39.7(5) . . . ? O2 C20 C19 10.9(6) . . . ? O2 C20 C21 100.8(13) . . . ? O2 C20 C22 68.1(7) . . . ? O2 C20 C23 137.1(12) . . . ? O2 C20 C23 96.8(4) . . . ? O2 C20 C24 80.6(5) . . . ? O2 C20 C25 49.9(5) . . . ? O2 C20 C26 56.8(4) . . . ? O2 C20 C26 113.5(5) . . . ? O2 C20 C27 102.0(5) . . . ? O2 C20 C30 59.0(4) . . . ? O2 C20 H17 126.7 . . . no O2 C20 H18 154.0 . . . no O2 C20 H18 84.3 . . . no O2 C20 H19 109.7 . . . no O2 C20 H19 102.9 . . . no O2 C20 H20 133.6 . . . no O2 C20 H22 96.5 . . . no O2 C20 H24 58.2 . . . no O2 C20 H24 106.1 . . . no O2 C20 H24 151.1 . . . no O2 C20 H25 84.7 . . . no O2 C20 H27 63.0 . . . no O2 C20 N3 169.7(11) 4_475 4_475 4_475 ? O2 C20 N4 114.9(7) 4_475 4_475 4_475 ? O2 C20 C19 143.0(10) 4_475 4_475 4_475 ? O2 C20 C21 54.6(10) 4_475 4_475 4_475 ? O2 C20 C22 87.0(8) 4_475 4_475 4_475 ? O2 C20 C23 68.2(9) 4_475 4_475 4_475 ? O2 C20 C23 93.2(4) 4_475 4_475 4_475 ? O2 C20 C24 74.5(4) 4_475 4_475 4_475 ? O2 C20 C25 154.3(8) 4_475 4_475 4_475 ? O2 C20 C26 149.8(7) 4_475 4_475 4_475 ? O2 C20 C26 50.8(4) 4_475 4_475 4_475 ? O2 C20 C27 69.0(4) 4_475 4_475 4_475 ? O2 C20 C30 137.8(5) 4_475 4_475 4_475 ? O2 C20 H17 28.9 4_475 4_475 4_475 no O2 C20 H18 52.3 4_475 4_475 4_475 no O2 C20 H18 106.8 4_475 4_475 4_475 no O2 C20 H19 96.5 4_475 4_475 4_475 no O2 C20 H19 81.4 4_475 4_475 4_475 no O2 C20 H20 61.1 4_475 4_475 4_475 no O2 C20 H22 58.5 4_475 4_475 4_475 no O2 C20 H24 143.6 4_475 4_475 4_475 no O2 C20 H24 52.0 4_475 4_475 4_475 no O2 C20 H24 37.5 4_475 4_475 4_475 no O2 C20 H25 84.0 4_475 4_475 4_475 no O2 C20 H27 125.5 4_475 4_475 4_475 no N3 C20 N4 59.2(9) . . . ? N3 C20 C19 30.4(9) . . . ? N3 C20 C21 120.4(17) . . . ? N3 C20 C22 87.6(12) . . . ? N3 C20 C23 117.6(17) . . . ? N3 C20 C23 95.5(8) . . . ? N3 C20 C24 100.1(11) . . . ? N3 C20 C25 30.4(9) . . . ? N3 C20 C26 39.8(9) . . . ? N3 C20 C26 119.9(9) . . . ? N3 C20 C27 102.8(9) . . . ? N3 C20 C30 41.8(9) . . . ? N3 C20 H17 146.2 . . . no N3 C20 H18 136.7 . . . no N3 C20 H18 81.9 . . . no N3 C20 H19 90.2 . . . no N3 C20 H19 106.1 . . . no N3 C20 H20 119.2 . . . no N3 C20 H22 116.1 . . . no N3 C20 H24 46.6 . . . no N3 C20 H24 117.7 . . . no N3 C20 H24 152.2 . . . no N3 C20 H25 87.1 . . . no N3 C20 H27 50.6 . . . no N4 C20 C19 28.9(5) . . . ? N4 C20 C21 61.1(10) . . . ? N4 C20 C22 28.3(4) . . . ? N4 C20 C23 176.8(14) . . . ? N4 C20 C23 93.4(5) . . . ? N4 C20 C24 40.9(5) . . . ? N4 C20 C25 89.6(8) . . . ? N4 C20 C26 92.0(7) . . . ? N4 C20 C26 97.5(6) . . . ? N4 C20 C27 99.9(6) . . . ? N4 C20 C30 96.9(7) . . . ? N4 C20 H17 87.0 . . . no N4 C20 H18 154.2 . . . no N4 C20 H18 87.1 . . . no N4 C20 H19 148.5 . . . no N4 C20 H19 89.1 . . . no N4 C20 H20 150.7 . . . no N4 C20 H22 56.9 . . . no N4 C20 H24 85.2 . . . no N4 C20 H24 82.8 . . . no N4 C20 H24 122.0 . . . no N4 C20 H25 85.7 . . . no N4 C20 H27 94.9 . . . no C19 C20 C21 90.0(13) . . . ? C19 C20 C22 57.2(7) . . . ? C19 C20 C23 148.0(15) . . . ? C19 C20 C23 95.8(6) . . . ? C19 C20 C24 69.8(7) . . . ? C19 C20 C25 60.7(8) . . . ? C19 C20 C26 66.0(7) . . . ? C19 C20 C26 110.2(7) . . . ? C19 C20 C27 102.4(7) . . . ? C19 C20 C30 69.4(8) . . . ? C19 C20 H17 115.9 . . . no C19 C20 H18 160.4 . . . no C19 C20 H18 84.5 . . . no C19 C20 H19 120.3 . . . no C19 C20 H19 99.1 . . . no C19 C20 H20 141.4 . . . no C19 C20 H22 85.7 . . . no C19 C20 H24 64.7 . . . no C19 C20 H24 100.3 . . . no C19 C20 H24 144.6 . . . no C19 C20 H25 85.1 . . . no C19 C20 H27 71.7 . . . no C21 C20 C22 32.8(9) . . . ? C21 C20 C23 122.0(18) . . . ? C21 C20 C23 87.5(9) . . . ? C21 C20 C24 20.2(10) . . . ? C21 C20 C25 150.7(15) . . . ? C21 C20 C26 144.8(12) . . . ? C21 C20 C26 68.2(9) . . . ? C21 C20 C27 87.2(10) . . . ? C21 C20 C30 151.9(13) . . . ? C21 C20 H17 26.0 . . . no C21 C20 H18 99.2 . . . no C21 C20 H18 95.0 . . . no C21 C20 H19 148.4 . . . no C21 C20 H19 72.3 . . . no C21 C20 H20 112.4 . . . no C21 C20 H22 4.7 . . . no C21 C20 H24 127.7 . . . no C21 C20 H24 53.4 . . . no C21 C20 H24 68.2 . . . no C21 C20 H25 88.9 . . . no C21 C20 H27 137.5 . . . no C22 C20 C23 154.8(15) . . . ? C22 C20 C23 90.5(6) . . . ? C22 C20 C24 12.6(6) . . . ? C22 C20 C25 117.9(10) . . . ? C22 C20 C26 117.5(8) . . . ? C22 C20 C26 83.3(6) . . . ? C22 C20 C27 94.9(6) . . . ? C22 C20 C30 123.6(9) . . . ? C22 C20 H17 58.8 . . . no C22 C20 H18 129.9 . . . no C22 C20 H18 90.6 . . . no C22 C20 H19 171.1 . . . no C22 C20 H19 79.7 . . . no C22 C20 H20 138.5 . . . no C22 C20 H22 28.6 . . . no C22 C20 H24 106.0 . . . no C22 C20 H24 66.7 . . . no C22 C20 H24 97.1 . . . no C22 C20 H25 87.1 . . . no C22 C20 H27 117.1 . . . no C23 C20 C23 87.0(9) . . . ? C23 C20 C24 142.3(12) . . . ? C23 C20 C25 87.3(11) . . . ? C23 C20 C26 85.1(10) . . . ? C23 C20 C26 84.0(8) . . . ? C23 C20 C27 80.5(8) . . . ? C23 C20 C30 80.1(10) . . . ? C23 C20 H17 96.1 . . . no C23 C20 H18 28.3 . . . no C23 C20 H18 92.6 . . . no C23 C20 H19 28.6 . . . no C23 C20 H19 92.1 . . . no C23 C20 H20 29.6 . . . no C23 C20 H22 126.3 . . . no C23 C20 H24 92.6 . . . no C23 C20 H24 99.0 . . . no C23 C20 H24 60.7 . . . no C23 C20 H25 94.2 . . . no C23 C20 H27 82.5 . . . no C23 C20 C24 89.6(5) 3_686 3_686 3_686 ? C23 C20 C25 93.0(6) 3_686 3_686 3_686 ? C23 C20 C26 70.7(4) 3_686 3_686 3_686 ? C23 C20 C26 143.7(5) 3_686 3_686 3_686 ? C23 C20 C27 161.1(6) 3_686 3_686 3_686 ? C23 C20 C30 112.7(5) 3_686 3_686 3_686 ? C23 C20 H17 87.5 3_686 3_686 3_686 no C23 C20 H18 67.6 3_686 3_686 3_686 no C23 C20 H18 13.6 3_686 3_686 3_686 no C23 C20 H19 81.2 3_686 3_686 3_686 no C23 C20 H19 15.6 3_686 3_686 3_686 no C23 C20 H20 115.4 3_686 3_686 3_686 no C23 C20 H22 89.9 3_686 3_686 3_686 no C23 C20 H24 53.7 3_686 3_686 3_686 no C23 C20 H24 137.3 3_686 3_686 3_686 no C23 C20 H24 57.3 3_686 3_686 3_686 no C23 C20 H25 176.4 3_686 3_686 3_686 no C23 C20 H27 131.2 3_686 3_686 3_686 no C24 C20 C25 130.5(7) . . . ? C24 C20 C26 128.7(6) . . . ? C24 C20 C26 76.9(4) . . . ? C24 C20 C27 91.8(5) . . . ? C24 C20 C30 134.9(6) . . . ? C24 C20 H17 46.2 . . . no C24 C20 H18 118.4 . . . no C24 C20 H18 92.6 . . . no C24 C20 H19 166.8 . . . no C24 C20 H19 76.6 . . . no C24 C20 H20 129.0 . . . no C24 C20 H22 16.1 . . . no C24 C20 H24 115.1 . . . no C24 C20 H24 60.3 . . . no C24 C20 H24 86.1 . . . no C24 C20 H25 87.4 . . . no C24 C20 H27 125.8 . . . no C25 C20 C26 22.4(4) . . . ? C25 C20 C26 121.5(6) . . . ? C25 C20 C27 100.4(6) . . . ? C25 C20 C30 21.6(4) . . . ? C25 C20 H17 176.6 . . . no C25 C20 H18 108.1 . . . no C25 C20 H18 81.0 . . . no C25 C20 H19 60.0 . . . no C25 C20 H19 108.0 . . . no C25 C20 H20 93.8 . . . no C25 C20 H22 146.4 . . . no C25 C20 H24 40.1 . . . no C25 C20 H24 129.3 . . . no C25 C20 H24 135.0 . . . no C25 C20 H25 90.5 . . . no C25 C20 H27 39.1 . . . no C26 C20 C26 142.8(6) . . . ? C26 C20 C27 121.8(6) . . . ? C26 C20 C30 42.7(4) . . . ? C26 C20 H17 158.1 . . . no C26 C20 H18 97.6 . . . no C26 C20 H18 58.9 . . . no C26 C20 H19 56.8 . . . no C26 C20 H19 85.8 . . . no C26 C20 H20 102.0 . . . no C26 C20 H22 142.9 . . . no C26 C20 H24 18.9 . . . no C26 C20 H24 151.6 . . . no C26 C20 H24 116.9 . . . no C26 C20 H25 112.9 . . . no C26 C20 H27 61.0 . . . no C26 C20 C27 21.2(2) 4_475 4_475 4_475 ? C26 C20 C30 100.3(5) 4_475 4_475 4_475 ? C26 C20 H17 58.7 4_475 4_475 4_475 no C26 C20 H18 89.3 4_475 4_475 4_475 no C26 C20 H18 156.9 4_475 4_475 4_475 no C26 C20 H19 105.2 4_475 4_475 4_475 no C26 C20 H19 130.0 4_475 4_475 4_475 no C26 C20 H20 56.4 4_475 4_475 4_475 no C26 C20 H22 68.0 4_475 4_475 4_475 no C26 C20 H24 161.5 4_475 4_475 4_475 no C26 C20 H24 16.7 4_475 4_475 4_475 no C26 C20 H24 87.9 4_475 4_475 4_475 no C26 C20 H25 33.3 4_475 4_475 4_475 no C26 C20 H27 82.4 4_475 4_475 4_475 no C27 C20 C30 79.1(4) 4_475 4_475 4_475 ? C27 C20 H17 79.9 4_475 4_475 4_475 no C27 C20 H18 95.3 4_475 4_475 4_475 no C27 C20 H18 172.9 4_475 4_475 4_475 no C27 C20 H19 94.0 4_475 4_475 4_475 no C27 C20 H19 150.2 4_475 4_475 4_475 no C27 C20 H20 50.9 4_475 4_475 4_475 no C27 C20 H22 86.2 4_475 4_475 4_475 no C27 C20 H24 140.4 4_475 4_475 4_475 no C27 C20 H24 33.8 4_475 4_475 4_475 no C27 C20 H24 104.0 4_475 4_475 4_475 no C27 C20 H25 17.3 4_475 4_475 4_475 no C27 C20 H27 61.3 4_475 4_475 4_475 no C30 C20 H17 159.0 . . . no C30 C20 H18 106.4 . . . no C30 C20 H18 101.6 . . . no C30 C20 H19 58.0 . . . no C30 C20 H19 128.2 . . . no C30 C20 H20 77.5 . . . no C30 C20 H22 147.3 . . . no C30 C20 H24 61.2 . . . no C30 C20 H24 110.0 . . . no C30 C20 H24 138.9 . . . no C30 C20 H25 70.9 . . . no C30 C20 H27 18.5 . . . no H17 C20 H18 75.2 . . . no H17 C20 H18 99.2 . . . no H17 C20 H19 123.4 . . . no H17 C20 H19 72.3 . . . no H17 C20 H20 89.0 . . . no H17 C20 H22 30.2 . . . no H17 C20 H24 139.7 . . . no H17 C20 H24 49.9 . . . no H17 C20 H24 47.8 . . . no H17 C20 H25 88.9 . . . no H17 C20 H27 140.9 . . . no H18 C20 H18 77.6 . . . no H18 C20 H19 49.2 . . . no H18 C20 H19 67.9 . . . no H18 C20 H20 49.3 . . . no H18 C20 H22 103.9 . . . no H18 C20 H24 96.3 . . . no H18 C20 H24 99.1 . . . no H18 C20 H24 32.9 . . . no H18 C20 H25 112.1 . . . no H18 C20 H27 110.7 . . . no H18 C20 H19 80.6 3_686 3_686 3_686 no H18 C20 H19 27.1 3_686 3_686 3_686 no H18 C20 H20 122.1 3_686 3_686 3_686 no H18 C20 H22 96.5 3_686 3_686 3_686 no H18 C20 H24 41.0 3_686 3_686 3_686 no H18 C20 H24 147.7 3_686 3_686 3_686 no H18 C20 H24 70.7 3_686 3_686 3_686 no H18 C20 H25 168.8 3_686 3_686 3_686 no H18 C20 H27 119.9 3_686 3_686 3_686 no H19 C20 H19 92.7 . . . no H19 C20 H20 49.4 . . . no H19 C20 H22 153.1 . . . no H19 C20 H24 66.5 . . . no H19 C20 H24 121.8 . . . no H19 C20 H24 81.0 . . . no H19 C20 H25 101.4 . . . no H19 C20 H27 67.3 . . . no H19 C20 H20 117.1 3_686 3_686 3_686 no H19 C20 H22 75.0 3_686 3_686 3_686 no H19 C20 H24 68.2 3_686 3_686 3_686 no H19 C20 H24 121.8 3_686 3_686 3_686 no H19 C20 H24 48.7 3_686 3_686 3_686 no H19 C20 H25 160.7 3_686 3_686 3_686 no H19 C20 H27 146.7 3_686 3_686 3_686 no H20 C20 H22 114.9 . . . no H20 C20 H24 115.4 . . . no H20 C20 H24 72.6 . . . no H20 C20 H24 74.0 . . . no H20 C20 H25 65.3 . . . no H20 C20 H27 70.6 . . . no H22 C20 H24 126.9 . . . no H22 C20 H24 52.6 . . . no H22 C20 H24 72.9 . . . no H22 C20 H25 86.6 . . . no H22 C20 H27 133.7 . . . no H24 C20 H24 164.1 . . . no H24 C20 H24 106.2 . . . no H24 C20 H25 129.6 . . . no H24 C20 H27 79.2 . . . no H24 C20 H24 89.0 4_475 4_475 4_475 no H24 C20 H25 39.1 4_475 4_475 4_475 no H24 C20 H27 91.5 4_475 4_475 4_475 no H24 C20 H25 120.4 3_686 3_686 3_686 no H24 C20 H27 142.7 3_686 3_686 3_686 no H25 C20 H27 52.5 4_475 4_475 4_475 no O2 C21 O2 102.7(3) 4_475 4_475 4_475 ? O2 C21 N3 134.2(8) 4_475 4_475 4_475 ? O2 C21 N4 161.8(8) 4_475 4_475 4_475 ? O2 C21 C19 162.1(8) 4_475 4_475 4_475 ? O2 C21 C20 105.2(13) 4_475 4_475 4_475 ? O2 C21 C22 138.1(12) 4_475 4_475 4_475 ? O2 C21 C23 75.3(5) 4_475 4_475 4_475 ? O2 C21 C24 105.5(6) 4_475 4_475 4_475 ? O2 C21 C25 123.9(6) 4_475 4_475 4_475 ? O2 C21 C26 57.8(4) 4_475 4_475 4_475 ? O2 C21 C27 73.2(4) 4_475 4_475 4_475 ? O2 C21 H13 130.3 4_475 4_475 4_475 no O2 C21 H14 93.3 4_475 4_475 4_475 no O2 C21 H17 16.6 4_475 4_475 4_475 no O2 C21 H18 60.8 4_475 4_475 4_475 no O2 C21 H18 111.8 4_475 4_475 4_475 no O2 C21 H19 88.0 4_475 4_475 4_475 no O2 C21 H19 92.7 4_475 4_475 4_475 no O2 C21 H20 66.0 4_475 4_475 4_475 no O2 C21 H21 111.0 4_475 4_475 4_475 no O2 C21 H22 80.7 4_475 4_475 4_475 no O2 C21 H23 108.5 4_475 4_475 4_475 no O2 C21 H24 62.9 4_475 4_475 4_475 no O2 C21 H24 42.2 4_475 4_475 4_475 no O2 C21 H25 89.1 4_475 4_475 4_475 no O2 C21 N3 88.4(5) 3_676 3_676 3_676 ? O2 C21 N4 62.7(5) 3_676 3_676 3_676 ? O2 C21 C19 72.8(6) 3_676 3_676 3_676 ? O2 C21 C20 103.2(10) 3_676 3_676 3_676 ? O2 C21 C22 59.5(8) 3_676 3_676 3_676 ? O2 C21 C23 115.4(6) 3_676 3_676 3_676 ? O2 C21 C24 64.1(5) 3_676 3_676 3_676 ? O2 C21 C25 94.8(4) 3_676 3_676 3_676 ? O2 C21 C26 51.8(3) 3_676 3_676 3_676 ? O2 C21 C27 51.3(3) 3_676 3_676 3_676 ? O2 C21 H13 115.1 3_676 3_676 3_676 no O2 C21 H14 128.3 3_676 3_676 3_676 no O2 C21 H17 102.6 3_676 3_676 3_676 no O2 C21 H18 133.5 3_676 3_676 3_676 no O2 C21 H18 145.1 3_676 3_676 3_676 no O2 C21 H19 116.1 3_676 3_676 3_676 no O2 C21 H19 158.5 3_676 3_676 3_676 no O2 C21 H20 97.5 3_676 3_676 3_676 no O2 C21 H21 79.7 3_676 3_676 3_676 no O2 C21 H22 71.0 3_676 3_676 3_676 no O2 C21 H23 48.0 3_676 3_676 3_676 no O2 C21 H24 40.3 3_676 3_676 3_676 no O2 C21 H24 144.9 3_676 3_676 3_676 no O2 C21 H25 40.7 3_676 3_676 3_676 no N3 C21 N4 59.6(6) . . . ? N3 C21 C19 30.7(5) . . . ? N3 C21 C20 29.7(9) . . . ? N3 C21 C22 85.8(10) . . . ? N3 C21 C23 60.2(7) . . . ? N3 C21 C24 119.0(9) . . . ? N3 C21 C25 10.9(5) . . . ? N3 C21 C26 101.4(6) . . . ? N3 C21 C27 80.6(5) . . . ? N3 C21 H13 79.8 . . . no N3 C21 H14 114.3 . . . no N3 C21 H17 150.3 . . . no N3 C21 H18 79.3 . . . no N3 C21 H18 63.9 . . . no N3 C21 H19 48.4 . . . no N3 C21 H19 91.6 . . . no N3 C21 H20 68.6 . . . no N3 C21 H21 114.6 . . . no N3 C21 H22 143.6 . . . no N3 C21 H23 111.5 . . . no N3 C21 H24 110.7 . . . no N3 C21 H24 116.2 . . . no N3 C21 H25 70.8 . . . no N4 C21 C19 28.9(5) . . . ? N4 C21 C20 89.3(11) . . . ? N4 C21 C22 26.2(8) . . . ? N4 C21 C23 119.8(8) . . . ? N4 C21 C24 59.3(7) . . . ? N4 C21 C25 70.5(6) . . . ? N4 C21 C26 112.4(6) . . . ? N4 C21 C27 102.0(6) . . . ? N4 C21 H13 56.4 . . . no N4 C21 H14 88.7 . . . no N4 C21 H17 149.6 . . . no N4 C21 H18 136.8 . . . no N4 C21 H18 84.3 . . . no N4 C21 H19 107.8 . . . no N4 C21 H19 99.0 . . . no N4 C21 H20 123.9 . . . no N4 C21 H21 57.9 . . . no N4 C21 H22 84.1 . . . no N4 C21 H23 54.1 . . . no N4 C21 H24 103.0 . . . no N4 C21 H24 150.8 . . . no N4 C21 H25 85.7 . . . no C19 C21 C20 60.4(10) . . . ? C19 C21 C22 55.1(9) . . . ? C19 C21 C23 90.9(8) . . . ? C19 C21 C24 88.3(9) . . . ? C19 C21 C25 41.6(6) . . . ? C19 C21 C26 109.1(6) . . . ? C19 C21 C27 91.3(6) . . . ? C19 C21 H13 65.2 . . . no C19 C21 H14 103.0 . . . no C19 C21 H17 175.3 . . . no C19 C21 H18 109.3 . . . no C19 C21 H18 72.7 . . . no C19 C21 H19 79.0 . . . no C19 C21 H19 96.7 . . . no C19 C21 H20 97.0 . . . no C19 C21 H21 85.5 . . . no C19 C21 H22 112.9 . . . no C19 C21 H23 81.7 . . . no C19 C21 H24 108.8 . . . no C19 C21 H24 140.3 . . . no C19 C21 H25 76.2 . . . no C20 C21 C22 115.5(15) . . . ? C20 C21 C23 30.5(10) . . . ? C20 C21 C24 148.7(14) . . . ? C20 C21 C25 18.9(10) . . . ? C20 C21 C26 90.4(10) . . . ? C20 C21 C27 71.8(9) . . . ? C20 C21 H13 96.6 . . . no C20 C21 H14 119.6 . . . no C20 C21 H17 120.7 . . . no C20 C21 H18 50.7 . . . no C20 C21 H18 63.4 . . . no C20 C21 H19 19.2 . . . no C20 C21 H19 86.9 . . . no C20 C21 H20 41.8 . . . no C20 C21 H21 142.1 . . . no C20 C21 H22 172.7 . . . no C20 C21 H23 139.5 . . . no C20 C21 H24 106.1 . . . no C20 C21 H24 90.7 . . . no C20 C21 H25 70.0 . . . no C22 C21 C23 146.0(12) . . . ? C22 C21 C24 33.2(9) . . . ? C22 C21 C25 96.7(10) . . . ? C22 C21 C26 110.5(10) . . . ? C22 C21 C27 109.5(9) . . . ? C22 C21 H13 56.1 . . . no C22 C21 H14 75.7 . . . no C22 C21 H17 123.6 . . . no C22 C21 H18 159.3 . . . no C22 C21 H18 95.7 . . . no C22 C21 H19 133.7 . . . no C22 C21 H19 99.0 . . . no C22 C21 H20 146.7 . . . no C22 C21 H21 33.9 . . . no C22 C21 H22 58.0 . . . no C22 C21 H23 30.4 . . . no C22 C21 H24 95.1 . . . no C22 C21 H24 141.1 . . . no C22 C21 H25 95.2 . . . no C23 C21 C24 179.1(8) . . . ? C23 C21 C25 49.3(5) . . . ? C23 C21 C26 79.1(5) . . . ? C23 C21 C27 67.8(5) . . . ? C23 C21 H13 112.5 . . . no C23 C21 H14 116.1 . . . no C23 C21 H17 90.4 . . . no C23 C21 H18 23.2 . . . no C23 C21 H18 70.3 . . . no C23 C21 H19 13.0 . . . no C23 C21 H19 82.8 . . . no C23 C21 H20 21.5 . . . no C23 C21 H21 162.6 . . . no C23 C21 H22 155.9 . . . no C23 C21 H23 163.2 . . . no C23 C21 H24 97.2 . . . no C23 C21 H24 64.4 . . . no C23 C21 H25 75.0 . . . no C24 C21 C25 129.9(7) . . . ? C24 C21 C26 101.0(6) . . . ? C24 C21 C27 112.0(6) . . . ? C24 C21 H13 67.3 . . . no C24 C21 H14 64.2 . . . no C24 C21 H17 90.5 . . . no C24 C21 H18 157.5 . . . no C24 C21 H18 109.6 . . . no C24 C21 H19 166.3 . . . no C24 C21 H19 97.5 . . . no C24 C21 H20 158.5 . . . no C24 C21 H21 17.4 . . . no C24 C21 H22 24.9 . . . no C24 C21 H23 16.3 . . . no C24 C21 H24 82.9 . . . no C24 C21 H24 116.4 . . . no C24 C21 H25 104.6 . . . no C25 C21 C26 98.5(5) . . . ? C25 C21 C27 77.9(4) . . . ? C25 C21 H13 85.1 . . . no C25 C21 H14 116.1 . . . no C25 C21 H17 139.6 . . . no C25 C21 H18 68.5 . . . no C25 C21 H18 61.8 . . . no C25 C21 H19 37.5 . . . no C25 C21 H19 88.8 . . . no C25 C21 H20 59.0 . . . no C25 C21 H21 124.5 . . . no C25 C21 H22 154.5 . . . no C25 C21 H23 122.2 . . . no C25 C21 H24 110.6 . . . no C25 C21 H24 106.5 . . . no C25 C21 H25 70.9 . . . no C26 C21 C27 20.8(2) 4_475 4_475 4_475 ? C26 C21 H13 166.5 4_475 4_475 4_475 no C26 C21 H14 144.2 4_475 4_475 4_475 no C26 C21 H17 66.7 4_475 4_475 4_475 no C26 C21 H18 86.7 4_475 4_475 4_475 no C26 C21 H18 149.4 4_475 4_475 4_475 no C26 C21 H19 88.3 4_475 4_475 4_475 no C26 C21 H19 148.5 4_475 4_475 4_475 no C26 C21 H20 57.6 4_475 4_475 4_475 no C26 C21 H21 118.1 4_475 4_475 4_475 no C26 C21 H22 89.2 4_475 4_475 4_475 no C26 C21 H23 89.0 4_475 4_475 4_475 no C26 C21 H24 18.1 4_475 4_475 4_475 no C26 C21 H24 96.8 4_475 4_475 4_475 no C26 C21 H25 33.2 4_475 4_475 4_475 no C27 C21 H13 156.5 4_475 4_475 4_475 no C27 C21 H14 164.8 4_475 4_475 4_475 no C27 C21 H17 85.0 4_475 4_475 4_475 no C27 C21 H18 82.3 4_475 4_475 4_475 no C27 C21 H18 134.7 4_475 4_475 4_475 no C27 C21 H19 73.9 4_475 4_475 4_475 no C27 C21 H19 149.6 4_475 4_475 4_475 no C27 C21 H20 47.3 4_475 4_475 4_475 no C27 C21 H21 129.2 4_475 4_475 4_475 no C27 C21 H22 106.5 4_475 4_475 4_475 no C27 C21 H23 97.2 4_475 4_475 4_475 no C27 C21 H24 34.3 4_475 4_475 4_475 no C27 C21 H24 105.7 4_475 4_475 4_475 no C27 C21 H25 16.4 4_475 4_475 4_475 no H13 C21 H14 37.9 2_656 2_656 2_656 no H13 C21 H17 118.3 2_656 2_656 2_656 no H13 C21 H18 106.6 2_656 2_656 2_656 no H13 C21 H18 42.8 2_656 2_656 2_656 no H13 C21 H19 102.1 2_656 2_656 2_656 no H13 C21 H19 44.0 2_656 2_656 2_656 no H13 C21 H20 133.6 2_656 2_656 2_656 no H13 C21 H21 50.8 2_656 2_656 2_656 no H13 C21 H22 82.3 2_656 2_656 2_656 no H13 C21 H23 78.1 2_656 2_656 2_656 no H13 C21 H24 149.5 2_656 2_656 2_656 no H13 C21 H24 94.7 2_656 2_656 2_656 no H13 C21 H25 140.5 2_656 2_656 2_656 no H14 C21 H17 80.4 2_656 2_656 2_656 no H14 C21 H18 97.3 2_656 2_656 2_656 no H14 C21 H18 56.3 2_656 2_656 2_656 no H14 C21 H19 113.3 2_656 2_656 2_656 no H14 C21 H19 34.3 2_656 2_656 2_656 no H14 C21 H20 133.6 2_656 2_656 2_656 no H14 C21 H21 48.8 2_656 2_656 2_656 no H14 C21 H22 63.6 2_656 2_656 2_656 no H14 C21 H23 80.3 2_656 2_656 2_656 no H14 C21 H24 133.0 2_656 2_656 2_656 no H14 C21 H24 66.1 2_656 2_656 2_656 no H14 C21 H25 168.9 2_656 2_656 2_656 no H17 C21 H18 73.1 . . . no H17 C21 H18 111.9 . . . no H17 C21 H19 102.6 . . . no H17 C21 H19 87.9 . . . no H17 C21 H20 82.6 . . . no H17 C21 H21 94.6 . . . no H17 C21 H22 65.6 . . . no H17 C21 H23 95.9 . . . no H17 C21 H24 66.6 . . . no H17 C21 H24 44.0 . . . no H17 C21 H25 99.8 . . . no H18 C21 H18 64.9 . . . no H18 C21 H19 31.5 . . . no H18 C21 H19 67.4 . . . no H18 C21 H20 36.3 . . . no H18 C21 H21 145.9 . . . no H18 C21 H22 136.5 . . . no H18 C21 H23 169.0 . . . no H18 C21 H24 103.5 . . . no H18 C21 H24 41.3 . . . no H18 C21 H25 93.4 . . . no H18 C21 H19 61.7 3_686 3_686 3_686 no H18 C21 H19 27.6 3_686 3_686 3_686 no H18 C21 H20 91.8 3_686 3_686 3_686 no H18 C21 H21 92.4 3_686 3_686 3_686 no H18 C21 H22 118.8 3_686 3_686 3_686 no H18 C21 H23 120.9 3_686 3_686 3_686 no H18 C21 H24 167.5 3_686 3_686 3_686 no H18 C21 H24 69.8 3_686 3_686 3_686 no H18 C21 H25 132.3 3_686 3_686 3_686 no H19 C21 H19 79.0 . . . no H19 C21 H20 31.6 . . . no H19 C21 H21 152.8 . . . no H19 C21 H22 167.9 . . . no H19 C21 H23 158.5 . . . no H19 C21 H24 106.0 . . . no H19 C21 H24 72.0 . . . no H19 C21 H25 77.6 . . . no H19 C21 H20 102.5 3_686 3_686 3_686 no H19 C21 H21 80.7 3_686 3_686 3_686 no H19 C21 H22 97.2 3_686 3_686 3_686 no H19 C21 H23 112.9 3_686 3_686 3_686 no H19 C21 H24 154.5 3_686 3_686 3_686 no H19 C21 H24 51.9 3_686 3_686 3_686 no H19 C21 H25 156.4 3_686 3_686 3_686 no H20 C21 H21 175.6 . . . no H20 C21 H22 141.7 . . . no H20 C21 H23 144.5 . . . no H20 C21 H24 75.7 . . . no H20 C21 H24 71.7 . . . no H20 C21 H25 57.1 . . . no H21 C21 H22 34.0 . . . no H21 C21 H23 32.2 . . . no H21 C21 H24 100.1 . . . no H21 C21 H24 108.6 . . . no H21 C21 H25 120.4 . . . no H22 C21 H23 33.2 . . . no H22 C21 H24 72.5 . . . no H22 C21 H24 96.6 . . . no H22 C21 H25 106.2 . . . no H23 C21 H24 71.3 . . . no H23 C21 H24 129.5 . . . no H23 C21 H25 88.6 . . . no H24 C21 H24 105.0 4_475 4_475 4_475 no H24 C21 H25 40.0 4_475 4_475 4_475 no H24 C21 H25 121.6 3_686 3_686 3_686 no O2 C22 O2 86.8(4) . . . ? O2 C22 N3 41.6(5) . . . ? O2 C22 N4 21.8(9) . . . ? O2 C22 C15 92.2(4) . . . ? O2 C22 C16 111.0(4) . . . ? O2 C22 C19 9.5(7) . . . ? O2 C22 C19 68.2(5) . . . ? O2 C22 C20 72.3(7) . . . ? O2 C22 C21 103.9(10) . . . ? O2 C22 C23 82.0(4) . . . ? O2 C22 C24 140.2(12) . . . ? O2 C22 H13 79.6 . . . no O2 C22 H14 119.3 . . . no O2 C22 H17 128.1 . . . no O2 C22 H21 124.4 . . . no O2 C22 H22 166.8 . . . no O2 C22 H23 117.9 . . . no O2 C22 H24 112.8 . . . no O2 C22 H25 43.4 . . . no O2 C22 H27 86.8 . . . no O2 C22 H28 71.5 . . . no O2 C22 N3 94.6(5) 3_676 3_676 3_676 ? O2 C22 N4 84.5(9) 3_676 3_676 3_676 ? O2 C22 C15 154.3(7) 3_676 3_676 3_676 ? O2 C22 C16 154.0(6) 3_676 3_676 3_676 ? O2 C22 C19 88.9(7) 3_676 3_676 3_676 ? O2 C22 C19 19.5(3) 3_676 3_676 3_676 ? O2 C22 C20 97.8(6) 3_676 3_676 3_676 ? O2 C22 C21 98.7(9) 3_676 3_676 3_676 ? O2 C22 C23 98.5(4) 3_676 3_676 3_676 ? O2 C22 C24 84.9(8) 3_676 3_676 3_676 ? O2 C22 H13 156.6 3_676 3_676 3_676 no O2 C22 H14 153.3 3_676 3_676 3_676 no O2 C22 H17 95.9 3_676 3_676 3_676 no O2 C22 H21 109.1 3_676 3_676 3_676 no O2 C22 H22 85.9 3_676 3_676 3_676 no O2 C22 H23 59.9 3_676 3_676 3_676 no O2 C22 H24 41.7 3_676 3_676 3_676 no O2 C22 H25 86.5 3_676 3_676 3_676 no O2 C22 H27 61.4 3_676 3_676 3_676 no O2 C22 H28 108.4 3_676 3_676 3_676 no N3 C22 N4 63.4(9) . . . ? N3 C22 C15 101.6(5) . . . ? N3 C22 C16 111.3(5) . . . ? N3 C22 C19 32.1(6) . . . ? N3 C22 C19 84.4(7) . . . ? N3 C22 C20 30.6(4) . . . ? N3 C22 C21 62.3(9) . . . ? N3 C22 C23 40.4(5) . . . ? N3 C22 C24 178.0(13) . . . ? N3 C22 H13 87.8 . . . no N3 C22 H14 108.5 . . . no N3 C22 H17 86.6 . . . no N3 C22 H21 152.8 . . . no N3 C22 H22 150.1 . . . no N3 C22 H23 151.2 . . . no N3 C22 H24 92.9 . . . no N3 C22 H25 84.7 . . . no N3 C22 H27 126.1 . . . no N3 C22 H28 107.6 . . . no N4 C22 C15 85.2(9) . . . ? N4 C22 C16 104.9(9) . . . ? N4 C22 C19 31.3(9) . . . ? N4 C22 C19 65.0(9) . . . ? N4 C22 C20 94.0(11) . . . ? N4 C22 C21 125.7(16) . . . ? N4 C22 C23 103.8(11) . . . ? N4 C22 C24 118.4(17) . . . ? N4 C22 H13 75.8 . . . no N4 C22 H14 117.5 . . . no N4 C22 H17 149.9 . . . no N4 C22 H21 104.7 . . . no N4 C22 H22 145.9 . . . no N4 C22 H23 98.6 . . . no N4 C22 H24 120.8 . . . no N4 C22 H25 21.8 . . . no N4 C22 H27 66.6 . . . no N4 C22 H28 52.7 . . . no C15 C22 C16 19.7(2) 2_656 2_656 2_656 ? C15 C22 C19 94.3(7) 2_656 2_656 2_656 ? C15 C22 C19 143.3(7) 2_656 2_656 2_656 ? C15 C22 C20 106.3(6) 2_656 2_656 2_656 ? C15 C22 C21 106.4(9) 2_656 2_656 2_656 ? C15 C22 C23 106.8(5) 2_656 2_656 2_656 ? C15 C22 C24 79.5(8) 2_656 2_656 2_656 ? C15 C22 H13 14.2 2_656 2_656 2_656 no C15 C22 H14 33.1 2_656 2_656 2_656 no C15 C22 H17 104.8 2_656 2_656 2_656 no C15 C22 H21 51.6 2_656 2_656 2_656 no C15 C22 H22 89.7 2_656 2_656 2_656 no C15 C22 H23 98.7 2_656 2_656 2_656 no C15 C22 H24 153.9 2_656 2_656 2_656 no C15 C22 H25 75.4 2_656 2_656 2_656 no C15 C22 H27 93.0 2_656 2_656 2_656 no C15 C22 H28 47.6 2_656 2_656 2_656 no C16 C22 C19 111.8(7) 2_656 2_656 2_656 ? C16 C22 C19 156.0(7) 2_656 2_656 2_656 ? C16 C22 C20 105.5(6) 2_656 2_656 2_656 ? C16 C22 C21 95.2(10) 2_656 2_656 2_656 ? C16 C22 C23 102.5(5) 2_656 2_656 2_656 ? C16 C22 C24 69.3(8) 2_656 2_656 2_656 ? C16 C22 H13 31.4 2_656 2_656 2_656 no C16 C22 H14 14.9 2_656 2_656 2_656 no C16 C22 H17 87.9 2_656 2_656 2_656 no C16 C22 H21 45.4 2_656 2_656 2_656 no C16 C22 H22 72.8 2_656 2_656 2_656 no C16 C22 H23 94.4 2_656 2_656 2_656 no C16 C22 H24 134.2 2_656 2_656 2_656 no C16 C22 H25 93.6 2_656 2_656 2_656 no C16 C22 H27 99.6 2_656 2_656 2_656 no C16 C22 H28 62.8 2_656 2_656 2_656 no C19 C22 C19 71.6(8) . . . ? C19 C22 C20 62.7(8) . . . ? C19 C22 C21 94.4(12) . . . ? C19 C22 C23 72.5(8) . . . ? C19 C22 C24 149.7(16) . . . ? C19 C22 H13 80.8 . . . no C19 C22 H14 117.8 . . . no C19 C22 H17 118.6 . . . no C19 C22 H21 132.2 . . . no C19 C22 H22 174.5 . . . no C19 C22 H23 126.5 . . . no C19 C22 H24 109.1 . . . no C19 C22 H25 52.8 . . . no C19 C22 H27 96.0 . . . no C19 C22 H28 79.6 . . . no C19 C22 C20 97.1(7) 3_676 3_676 3_676 ? C19 C22 C21 108.3(9) 3_676 3_676 3_676 ? C19 C22 C23 101.0(6) 3_676 3_676 3_676 ? C19 C22 C24 95.7(9) 3_676 3_676 3_676 ? C19 C22 H13 139.3 3_676 3_676 3_676 no C19 C22 H14 166.8 3_676 3_676 3_676 no C19 C22 H17 111.8 3_676 3_676 3_676 no C19 C22 H21 113.8 3_676 3_676 3_676 no C19 C22 H22 103.0 3_676 3_676 3_676 no C19 C22 H23 67.3 3_676 3_676 3_676 no C19 C22 H24 59.0 3_676 3_676 3_676 no C19 C22 H25 69.0 3_676 3_676 3_676 no C19 C22 H27 56.6 3_676 3_676 3_676 no C19 C22 H28 95.8 3_676 3_676 3_676 no C20 C22 C21 31.7(8) . . . ? C20 C22 C23 9.8(6) . . . ? C20 C22 C24 147.5(15) . . . ? C20 C22 H13 96.1 . . . no C20 C22 H14 95.7 . . . no C20 C22 H17 56.0 . . . no C20 C22 H21 148.4 . . . no C20 C22 H22 119.7 . . . no C20 C22 H23 152.8 . . . no C20 C22 H24 76.0 . . . no C20 C22 H25 115.3 . . . no C20 C22 H27 151.7 . . . no C20 C22 H28 133.4 . . . no C21 C22 C23 21.9(8) . . . ? C21 C22 C24 115.8(16) . . . ? C21 C22 H13 103.0 . . . no C21 C22 H14 81.2 . . . no C21 C22 H17 24.3 . . . no C21 C22 H21 124.3 . . . no C21 C22 H22 88.0 . . . no C21 C22 H23 129.9 . . . no C21 C22 H24 61.6 . . . no C21 C22 H25 146.9 . . . no C21 C22 H27 157.2 . . . no C21 C22 H28 152.0 . . . no C23 C22 C24 137.7(11) . . . ? C23 C22 H13 98.3 . . . no C23 C22 H14 91.1 . . . no C23 C22 H17 46.2 . . . no C23 C22 H21 141.8 . . . no C23 C22 H22 109.9 . . . no C23 C22 H23 147.1 . . . no C23 C22 H24 71.1 . . . no C23 C22 H25 125.0 . . . no C23 C22 H27 157.6 . . . no C23 C22 H28 140.6 . . . no C24 C22 H13 93.4 . . . no C24 C22 H14 71.6 . . . no C24 C22 H17 91.5 . . . no C24 C22 H21 28.6 . . . no C24 C22 H22 27.9 . . . no C24 C22 H23 29.2 . . . no C24 C22 H24 85.4 . . . no C24 C22 H25 97.2 . . . no C24 C22 H27 55.3 . . . no C24 C22 H28 74.4 . . . no H13 C22 H14 41.8 2_656 2_656 2_656 no H13 C22 H17 107.5 2_656 2_656 2_656 no H13 C22 H21 65.1 2_656 2_656 2_656 no H13 C22 H22 103.4 2_656 2_656 2_656 no H13 C22 H23 110.3 2_656 2_656 2_656 no H13 C22 H24 161.5 2_656 2_656 2_656 no H13 C22 H25 70.5 2_656 2_656 2_656 no H13 C22 H27 98.7 2_656 2_656 2_656 no H13 C22 H28 49.2 2_656 2_656 2_656 no H14 C22 H17 73.0 2_656 2_656 2_656 no H14 C22 H21 53.1 2_656 2_656 2_656 no H14 C22 H22 67.5 2_656 2_656 2_656 no H14 C22 H23 99.6 2_656 2_656 2_656 no H14 C22 H24 121.5 2_656 2_656 2_656 no H14 C22 H25 108.2 2_656 2_656 2_656 no H14 C22 H27 111.4 2_656 2_656 2_656 no H14 C22 H28 77.7 2_656 2_656 2_656 no H17 C22 H21 103.6 . . . no H17 C22 H22 63.7 . . . no H17 C22 H23 107.6 . . . no H17 C22 H24 54.2 . . . no H17 C22 H25 171.2 . . . no H17 C22 H27 139.0 . . . no H17 C22 H28 150.3 . . . no H21 C22 H22 48.8 . . . no H21 C22 H23 49.2 . . . no H21 C22 H24 113.6 . . . no H21 C22 H25 83.5 . . . no H21 C22 H27 59.8 . . . no H21 C22 H28 52.8 . . . no H22 C22 H23 48.9 . . . no H22 C22 H24 67.8 . . . no H22 C22 H25 125.0 . . . no H22 C22 H27 80.0 . . . no H22 C22 H28 100.5 . . . no H23 C22 H24 76.8 . . . no H23 C22 H25 80.9 . . . no H23 C22 H27 32.1 . . . no H23 C22 H28 72.3 . . . no H24 C22 H25 128.0 4_475 4_475 4_475 no H24 C22 H27 95.8 4_475 4_475 4_475 no H24 C22 H28 146.2 4_475 4_475 4_475 no H25 C22 H27 49.2 2_646 2_646 2_646 no H25 C22 H28 33.6 2_646 2_646 2_646 no H27 C22 H28 50.4 3_676 3_676 3_676 no O2 C23 N3 117.7(6) 4_475 4_475 4_475 ? O2 C23 C15 105.6(5) 4_475 4_475 4_475 ? O2 C23 C16 127.5(5) 4_475 4_475 4_475 ? O2 C23 C19 108.1(5) 4_475 4_475 4_475 ? O2 C23 C20 88.7(10) 4_475 4_475 4_475 ? O2 C23 C20 94.8(4) 4_475 4_475 4_475 ? O2 C23 C21 61.6(4) 4_475 4_475 4_475 ? O2 C23 C22 73.5(4) 4_475 4_475 4_475 ? O2 C23 C25 148.0(6) 4_475 4_475 4_475 ? O2 C23 C26 154.2(5) 4_475 4_475 4_475 ? O2 C23 C26 51.5(3) 4_475 4_475 4_475 ? O2 C23 C27 71.4(4) 4_475 4_475 4_475 ? O2 C23 C28 78.8(3) 4_475 4_475 4_475 ? O2 C23 C30 147.1(5) 4_475 4_475 4_475 ? O2 C23 H13 94.9 4_475 4_475 4_475 no O2 C23 H14 141.0 4_475 4_475 4_475 no O2 C23 H17 38.3 4_475 4_475 4_475 no O2 C23 H18 53.0 4_475 4_475 4_475 no O2 C23 H18 104.6 4_475 4_475 4_475 no O2 C23 H19 160.6 4_475 4_475 4_475 no O2 C23 H20 70.9 4_475 4_475 4_475 no O2 C23 H23 44.9 4_475 4_475 4_475 no O2 C23 H24 138.6 4_475 4_475 4_475 no O2 C23 H24 41.6 4_475 4_475 4_475 no O2 C23 H25 82.1 4_475 4_475 4_475 no O2 C23 H27 130.2 4_475 4_475 4_475 no N3 C23 C15 136.5(6) . . . ? N3 C23 C16 114.4(6) . . . ? N3 C23 C19 9.6(5) . . . ? N3 C23 C20 29.4(8) . . . ? N3 C23 C20 94.9(5) . . . ? N3 C23 C21 56.9(6) . . . ? N3 C23 C22 44.8(5) . . . ? N3 C23 C25 30.8(4) . . . ? N3 C23 C26 43.6(4) . . . ? N3 C23 C26 89.5(5) . . . ? N3 C23 C27 82.4(5) . . . ? N3 C23 C28 96.4(5) . . . ? N3 C23 C30 46.8(4) . . . ? N3 C23 H13 146.3 . . . no N3 C23 H14 101.0 . . . no N3 C23 H17 80.4 . . . no N3 C23 H18 130.3 . . . no N3 C23 H18 63.3 . . . no N3 C23 H19 80.9 . . . no N3 C23 H20 110.5 . . . no N3 C23 H23 156.0 . . . no N3 C23 H24 44.1 . . . no N3 C23 H24 120.6 . . . no N3 C23 H25 66.8 . . . no N3 C23 H27 50.9 . . . no C15 C23 C16 22.1(3) 4_475 4_475 4_475 ? C15 C23 C19 146.1(6) 4_475 4_475 4_475 ? C15 C23 C20 165.7(11) 4_475 4_475 4_475 ? C15 C23 C20 85.4(5) 4_475 4_475 4_475 ? C15 C23 C21 166.2(7) 4_475 4_475 4_475 ? C15 C23 C22 176.7(6) 4_475 4_475 4_475 ? C15 C23 C25 105.6(6) 4_475 4_475 4_475 ? C15 C23 C26 96.3(5) 4_475 4_475 4_475 ? C15 C23 C26 115.7(5) 4_475 4_475 4_475 ? C15 C23 C27 108.7(5) 4_475 4_475 4_475 ? C15 C23 C28 87.3(5) 4_475 4_475 4_475 ? C15 C23 C30 93.4(5) 4_475 4_475 4_475 ? C15 C23 H13 17.1 4_475 4_475 4_475 no C15 C23 H14 36.8 4_475 4_475 4_475 no C15 C23 H17 143.1 4_475 4_475 4_475 no C15 C23 H18 79.4 4_475 4_475 4_475 no C15 C23 H18 111.2 4_475 4_475 4_475 no C15 C23 H19 56.8 4_475 4_475 4_475 no C15 C23 H20 78.5 4_475 4_475 4_475 no C15 C23 H23 62.5 4_475 4_475 4_475 no C15 C23 H24 103.8 4_475 4_475 4_475 no C15 C23 H24 94.4 4_475 4_475 4_475 no C15 C23 H25 117.9 4_475 4_475 4_475 no C15 C23 H27 97.6 4_475 4_475 4_475 no C16 C23 C19 124.0(6) 4_475 4_475 4_475 ? C16 C23 C20 143.7(11) 4_475 4_475 4_475 ? C16 C23 C20 86.6(5) 4_475 4_475 4_475 ? C16 C23 C21 170.6(6) 4_475 4_475 4_475 ? C16 C23 C22 158.9(5) 4_475 4_475 4_475 ? C16 C23 C25 83.6(5) 4_475 4_475 4_475 ? C16 C23 C26 75.5(4) 4_475 4_475 4_475 ? C16 C23 C26 124.8(5) 4_475 4_475 4_475 ? C16 C23 C27 110.6(5) 4_475 4_475 4_475 ? C16 C23 C28 90.0(5) 4_475 4_475 4_475 ? C16 C23 C30 72.8(5) 4_475 4_475 4_475 ? C16 C23 H13 35.8 4_475 4_475 4_475 no C16 C23 H14 17.4 4_475 4_475 4_475 no C16 C23 H17 165.0 4_475 4_475 4_475 no C16 C23 H18 96.3 4_475 4_475 4_475 no C16 C23 H18 103.4 4_475 4_475 4_475 no C16 C23 H19 35.8 4_475 4_475 4_475 no C16 C23 H20 85.9 4_475 4_475 4_475 no C16 C23 H23 83.6 4_475 4_475 4_475 no C16 C23 H24 85.6 4_475 4_475 4_475 no C16 C23 H24 112.2 4_475 4_475 4_475 no C16 C23 H25 113.8 4_475 4_475 4_475 no C16 C23 H27 80.3 4_475 4_475 4_475 no C19 C23 C20 19.8(9) . . . ? C19 C23 C20 94.9(5) . . . ? C19 C23 C21 47.3(5) . . . ? C19 C23 C22 35.2(4) . . . ? C19 C23 C25 40.5(5) . . . ? C19 C23 C26 52.1(4) . . . ? C19 C23 C26 83.7(5) . . . ? C19 C23 C27 79.5(5) . . . ? C19 C23 C28 96.0(5) . . . ? C19 C23 C30 55.4(5) . . . ? C19 C23 H13 154.8 . . . no C19 C23 H14 110.4 . . . no C19 C23 H17 70.7 . . . no C19 C23 H18 124.6 . . . no C19 C23 H18 63.0 . . . no C19 C23 H19 90.2 . . . no C19 C23 H20 109.6 . . . no C19 C23 H23 148.5 . . . no C19 C23 H24 50.1 . . . no C19 C23 H24 113.1 . . . no C19 C23 H25 64.5 . . . no C19 C23 H27 57.2 . . . no C20 C23 C20 93.0(9) . . . ? C20 C23 C21 27.5(9) . . . ? C20 C23 C22 15.4(9) . . . ? C20 C23 C25 60.3(9) . . . ? C20 C23 C26 69.7(9) . . . ? C20 C23 C26 73.4(8) . . . ? C20 C23 C27 75.9(8) . . . ? C20 C23 C28 96.1(8) . . . ? C20 C23 C30 74.2(9) . . . ? C20 C23 H13 165.6 . . . no C20 C23 H14 129.1 . . . no C20 C23 H17 50.9 . . . no C20 C23 H18 109.8 . . . no C20 C23 H18 63.5 . . . no C20 C23 H19 109.1 . . . no C20 C23 H20 107.3 . . . no C20 C23 H23 131.5 . . . no C20 C23 H24 63.6 . . . no C20 C23 H24 96.2 . . . no C20 C23 H25 63.7 . . . no C20 C23 H27 72.7 . . . no C20 C23 C21 90.5(6) 3_686 3_686 3_686 ? C20 C23 C22 91.5(5) 3_686 3_686 3_686 ? C20 C23 C25 94.3(5) 3_686 3_686 3_686 ? C20 C23 C26 73.2(4) 3_686 3_686 3_686 ? C20 C23 C26 142.8(5) 3_686 3_686 3_686 ? C20 C23 C27 162.1(6) 3_686 3_686 3_686 ? C20 C23 C28 168.7(6) 3_686 3_686 3_686 ? C20 C23 C30 113.6(4) 3_686 3_686 3_686 ? C20 C23 H13 72.7 3_686 3_686 3_686 no C20 C23 H14 76.0 3_686 3_686 3_686 no C20 C23 H17 89.7 3_686 3_686 3_686 no C20 C23 H18 47.0 3_686 3_686 3_686 no C20 C23 H18 31.9 3_686 3_686 3_686 no C20 C23 H19 76.8 3_686 3_686 3_686 no C20 C23 H20 154.4 3_686 3_686 3_686 no C20 C23 H23 102.3 3_686 3_686 3_686 no C20 C23 H24 59.4 3_686 3_686 3_686 no C20 C23 H24 53.6 3_686 3_686 3_686 no C20 C23 H25 156.5 3_686 3_686 3_686 no C20 C23 H27 131.0 3_686 3_686 3_686 no C21 C23 C22 12.1(4) . . . ? C21 C23 C25 87.8(6) . . . ? C21 C23 C26 95.1(6) . . . ? C21 C23 C26 61.5(4) . . . ? C21 C23 C27 73.2(5) . . . ? C21 C23 C28 94.5(5) . . . ? C21 C23 C30 100.3(6) . . . ? C21 C23 H13 150.4 . . . no C21 C23 H14 153.6 . . . no C21 C23 H17 23.5 . . . no C21 C23 H18 88.2 . . . no C21 C23 H18 70.0 . . . no C21 C23 H19 134.9 . . . no C21 C23 H20 100.4 . . . no C21 C23 H23 105.8 . . . no C21 C23 H24 85.2 . . . no C21 C23 H24 72.7 . . . no C21 C23 H25 67.5 . . . no C21 C23 H27 95.0 . . . no C22 C23 C25 75.7(5) . . . ? C22 C23 C26 83.8(4) . . . ? C22 C23 C26 66.3(4) . . . ? C22 C23 C27 74.1(4) . . . ? C22 C23 C28 95.5(4) . . . ? C22 C23 C30 88.8(5) . . . ? C22 C23 H13 159.9 . . . no C22 C23 H14 143.2 . . . no C22 C23 H17 35.6 . . . no C22 C23 H18 97.7 . . . no C22 C23 H18 66.3 . . . no C22 C23 H19 123.6 . . . no C22 C23 H20 104.0 . . . no C22 C23 H23 117.3 . . . no C22 C23 H24 75.4 . . . no C22 C23 H24 82.9 . . . no C22 C23 H25 65.3 . . . no C22 C23 H27 85.2 . . . no C25 C23 C26 22.3(4) . . . ? C25 C23 C26 107.5(5) . . . ? C25 C23 C27 92.3(5) . . . ? C25 C23 C28 96.1(6) . . . ? C25 C23 C30 23.4(3) . . . ? C25 C23 H13 117.0 . . . no C25 C23 H14 71.0 . . . no C25 C23 H17 111.2 . . . no C25 C23 H18 141.0 . . . no C25 C23 H18 69.8 . . . no C25 C23 H19 51.2 . . . no C25 C23 H20 109.2 . . . no C25 C23 H23 158.3 . . . no C25 C23 H24 35.0 . . . no C25 C23 H24 141.0 . . . no C25 C23 H25 77.6 . . . no C25 C23 H27 37.7 . . . no C26 C23 C26 129.2(4) . . . ? C26 C23 C27 114.6(5) . . . ? C26 C23 C28 116.4(5) . . . ? C26 C23 C30 40.9(4) . . . ? C26 C23 H13 102.8 . . . no C26 C23 H14 59.5 . . . no C26 C23 H17 117.2 . . . no C26 C23 H18 120.2 . . . no C26 C23 H18 53.6 . . . no C26 C23 H19 39.8 . . . no C26 C23 H20 128.0 . . . no C26 C23 H23 158.8 . . . no C26 C23 H24 17.1 . . . no C26 C23 H24 124.5 . . . no C26 C23 H25 99.8 . . . no C26 C23 H27 57.9 . . . no C26 C23 C27 20.5(2) 4_475 4_475 4_475 ? C26 C23 C28 36.2(3) 4_475 4_475 4_475 ? C26 C23 C30 96.2(5) 4_475 4_475 4_475 ? C26 C23 H13 119.5 4_475 4_475 4_475 no C26 C23 H14 139.1 4_475 4_475 4_475 no C26 C23 H17 54.6 4_475 4_475 4_475 no C26 C23 H18 104.4 4_475 4_475 4_475 no C26 C23 H18 131.5 4_475 4_475 4_475 no C26 C23 H19 140.2 4_475 4_475 4_475 no C26 C23 H20 39.0 4_475 4_475 4_475 no C26 C23 H23 66.7 4_475 4_475 4_475 no C26 C23 H24 133.5 4_475 4_475 4_475 no C26 C23 H24 92.7 4_475 4_475 4_475 no C26 C23 H25 31.0 4_475 4_475 4_475 no C26 C23 H27 78.7 4_475 4_475 4_475 no C27 C23 C28 21.5(3) 4_475 4_475 4_475 ? C27 C23 C30 77.3(4) 4_475 4_475 4_475 ? C27 C23 H13 118.5 4_475 4_475 4_475 no C27 C23 H14 121.8 4_475 4_475 4_475 no C27 C23 H17 72.4 4_475 4_475 4_475 no C27 C23 H18 123.3 4_475 4_475 4_475 no C27 C23 H18 139.3 4_475 4_475 4_475 no C27 C23 H19 119.8 4_475 4_475 4_475 no C27 C23 H20 31.5 4_475 4_475 4_475 no C27 C23 H23 76.1 4_475 4_475 4_475 no C27 C23 H24 124.3 4_475 4_475 4_475 no C27 C23 H24 112.9 4_475 4_475 4_475 no C27 C23 H25 15.7 4_475 4_475 4_475 no C27 C23 H27 59.5 4_475 4_475 4_475 no C28 C23 C30 75.5(4) 4_475 4_475 4_475 ? C28 C23 H13 98.3 4_475 4_475 4_475 no C28 C23 H14 103.0 4_475 4_475 4_475 no C28 C23 H17 90.8 4_475 4_475 4_475 no C28 C23 H18 122.9 4_475 4_475 4_475 no C28 C23 H18 158.9 4_475 4_475 4_475 no C28 C23 H19 106.3 4_475 4_475 4_475 no C28 C23 H20 14.3 4_475 4_475 4_475 no C28 C23 H23 66.6 4_475 4_475 4_475 no C28 C23 H24 131.1 4_475 4_475 4_475 no C28 C23 H24 118.4 4_475 4_475 4_475 no C28 C23 H25 32.5 4_475 4_475 4_475 no C28 C23 H27 58.7 4_475 4_475 4_475 no C30 C23 H13 108.7 . . . no C30 C23 H14 66.0 . . . no C30 C23 H17 121.8 . . . no C30 C23 H18 159.4 . . . no C30 C23 H18 92.7 . . . no C30 C23 H19 50.1 . . . no C30 C23 H20 87.4 . . . no C30 C23 H23 135.0 . . . no C30 C23 H24 56.7 . . . no C30 C23 H24 164.3 . . . no C30 C23 H25 65.3 . . . no C30 C23 H27 17.8 . . . no H13 C23 H14 46.0 4_475 4_475 4_475 no H13 C23 H17 129.4 4_475 4_475 4_475 no H13 C23 H18 62.5 4_475 4_475 4_475 no H13 C23 H18 102.1 4_475 4_475 4_475 no H13 C23 H19 65.9 4_475 4_475 4_475 no H13 C23 H20 87.0 4_475 4_475 4_475 no H13 C23 H23 56.6 4_475 4_475 4_475 no H13 C23 H24 105.5 4_475 4_475 4_475 no H13 C23 H24 77.7 4_475 4_475 4_475 no H13 C23 H25 130.6 4_475 4_475 4_475 no H13 C23 H27 114.5 4_475 4_475 4_475 no H14 C23 H17 165.8 4_475 4_475 4_475 no H14 C23 H18 98.4 4_475 4_475 4_475 no H14 C23 H18 87.5 4_475 4_475 4_475 no H14 C23 H19 20.2 4_475 4_475 4_475 no H14 C23 H20 101.4 4_475 4_475 4_475 no H14 C23 H23 99.3 4_475 4_475 4_475 no H14 C23 H24 68.4 4_475 4_475 4_475 no H14 C23 H24 114.2 4_475 4_475 4_475 no H14 C23 H25 120.4 4_475 4_475 4_475 no H14 C23 H27 78.0 4_475 4_475 4_475 no H17 C23 H18 70.8 . . . no H17 C23 H18 80.4 . . . no H17 C23 H19 155.8 . . . no H17 C23 H20 91.2 . . . no H17 C23 H23 83.0 . . . no H17 C23 H24 104.9 . . . no H17 C23 H24 54.8 . . . no H17 C23 H25 73.3 . . . no H17 C23 H27 112.7 . . . no H18 C23 H18 72.4 . . . no H18 C23 H19 111.3 . . . no H18 C23 H20 109.7 . . . no H18 C23 H23 58.0 . . . no H18 C23 H24 106.0 . . . no H18 C23 H24 16.0 . . . no H18 C23 H25 135.1 . . . no H18 C23 H27 176.4 . . . no H18 C23 H19 77.6 3_686 3_686 3_686 no H18 C23 H20 170.3 3_686 3_686 3_686 no H18 C23 H23 130.4 3_686 3_686 3_686 no H18 C23 H24 36.6 3_686 3_686 3_686 no H18 C23 H24 71.8 3_686 3_686 3_686 no H18 C23 H25 126.5 3_686 3_686 3_686 no H18 C23 H27 107.0 3_686 3_686 3_686 no H19 C23 H20 109.6 . . . no H19 C23 H23 119.2 . . . no H19 C23 H24 50.9 . . . no H19 C23 H24 125.4 . . . no H19 C23 H25 112.5 . . . no H19 C23 H27 65.2 . . . no H20 C23 H23 52.5 . . . no H20 C23 H24 144.0 . . . no H20 C23 H24 107.4 . . . no H20 C23 H25 45.2 . . . no H20 C23 H27 71.5 . . . no H23 C23 H24 159.3 2_556 2_556 2_556 no H23 C23 H24 60.5 2_556 2_556 2_556 no H23 C23 H25 91.9 2_556 2_556 2_556 no H23 C23 H27 122.5 2_556 2_556 2_556 no H24 C23 H24 108.1 . . . no H24 C23 H25 108.7 . . . no H24 C23 H27 72.6 . . . no H24 C23 H25 122.0 3_686 3_686 3_686 no H24 C23 H27 167.5 3_686 3_686 3_686 no H25 C23 H27 48.2 4_475 4_475 4_475 no O2 C24 N4 68.0(5) 3_676 3_676 3_676 ? O2 C24 C14 116.9(5) 3_676 3_676 3_676 ? O2 C24 C15 142.3(5) 3_676 3_676 3_676 ? O2 C24 C15 99.4(4) 3_676 3_676 3_676 ? O2 C24 C16 158.1(6) 3_676 3_676 3_676 ? O2 C24 C19 67.3(4) 3_676 3_676 3_676 ? O2 C24 C20 73.2(4) 3_676 3_676 3_676 ? O2 C24 C21 76.3(5) 3_676 3_676 3_676 ? O2 C24 C22 69.7(8) 3_676 3_676 3_676 ? O2 C24 C30 56.0(4) 3_676 3_676 3_676 ? O2 C24 H12 130.1 3_676 3_676 3_676 no O2 C24 H13 127.2 3_676 3_676 3_676 no O2 C24 H13 91.6 3_676 3_676 3_676 no O2 C24 H14 150.2 3_676 3_676 3_676 no O2 C24 H17 83.0 3_676 3_676 3_676 no O2 C24 H18 47.9 3_676 3_676 3_676 no O2 C24 H21 149.9 3_676 3_676 3_676 no O2 C24 H22 97.9 3_676 3_676 3_676 no O2 C24 H23 48.1 3_676 3_676 3_676 no O2 C24 H24 39.4 3_676 3_676 3_676 no O2 C24 H27 65.8 3_676 3_676 3_676 no O2 C24 H28 106.9 3_676 3_676 3_676 no O2 C24 H29 132.2 3_676 3_676 3_676 no N4 C24 C14 167.6(7) . . . ? N4 C24 C15 74.4(5) . . . ? N4 C24 C15 167.4(6) . . . ? N4 C24 C16 91.7(5) . . . ? N4 C24 C19 10.3(6) . . . ? N4 C24 C20 48.5(5) . . . ? N4 C24 C21 59.6(6) . . . ? N4 C24 C22 28.6(8) . . . ? N4 C24 C30 84.0(5) . . . ? N4 C24 H12 158.3 . . . no N4 C24 H13 59.4 . . . no N4 C24 H13 156.7 . . . no N4 C24 H14 94.2 . . . no N4 C24 H17 83.4 . . . no N4 C24 H18 114.6 . . . no N4 C24 H21 96.8 . . . no N4 C24 H22 139.5 . . . no N4 C24 H23 89.7 . . . no N4 C24 H24 87.8 . . . no N4 C24 H27 75.3 . . . no N4 C24 H28 59.1 . . . no N4 C24 H29 98.0 . . . no C14 C24 C15 99.6(5) 3_676 3_676 3_676 ? C14 C24 C15 20.6(3) 3_676 3_676 3_676 ? C14 C24 C16 84.7(5) 3_676 3_676 3_676 ? C14 C24 C19 175.6(5) 3_676 3_676 3_676 ? C14 C24 C20 142.8(5) 3_676 3_676 3_676 ? C14 C24 C21 131.8(6) 3_676 3_676 3_676 ? C14 C24 C22 162.2(11) 3_676 3_676 3_676 ? C14 C24 C30 89.7(5) 3_676 3_676 3_676 ? C14 C24 H12 13.3 3_676 3_676 3_676 no C14 C24 H13 115.5 3_676 3_676 3_676 no C14 C24 H13 34.3 3_676 3_676 3_676 no C14 C24 H14 85.8 3_676 3_676 3_676 no C14 C24 H17 108.2 3_676 3_676 3_676 no C14 C24 H18 73.2 3_676 3_676 3_676 no C14 C24 H21 73.5 3_676 3_676 3_676 no C14 C24 H22 52.7 3_676 3_676 3_676 no C14 C24 H23 86.4 3_676 3_676 3_676 no C14 C24 H24 103.0 3_676 3_676 3_676 no C14 C24 H27 95.9 3_676 3_676 3_676 no C14 C24 H28 108.7 3_676 3_676 3_676 no C14 C24 H29 70.2 3_676 3_676 3_676 no C15 C24 C15 118.2(5) 2_656 2_656 2_656 ? C15 C24 C16 20.2(3) 2_656 2_656 2_656 ? C15 C24 C19 76.0(4) 2_656 2_656 2_656 ? C15 C24 C20 83.8(4) 2_656 2_656 2_656 ? C15 C24 C21 86.8(5) 2_656 2_656 2_656 ? C15 C24 C22 78.4(8) 2_656 2_656 2_656 ? C15 C24 C30 118.8(5) 2_656 2_656 2_656 ? C15 C24 H12 86.3 2_656 2_656 2_656 no C15 C24 H13 16.0 2_656 2_656 2_656 no C15 C24 H13 125.7 2_656 2_656 2_656 no C15 C24 H14 33.1 2_656 2_656 2_656 no C15 C24 H17 95.0 2_656 2_656 2_656 no C15 C24 H18 167.6 2_656 2_656 2_656 no C15 C24 H21 33.2 2_656 2_656 2_656 no C15 C24 H22 112.4 2_656 2_656 2_656 no C15 C24 H23 131.6 2_656 2_656 2_656 no C15 C24 H24 143.0 2_656 2_656 2_656 no C15 C24 H27 103.0 2_656 2_656 2_656 no C15 C24 H28 48.3 2_656 2_656 2_656 no C15 C24 H29 50.8 2_656 2_656 2_656 no C15 C24 C16 100.9(5) 3_676 3_676 3_676 ? C15 C24 C19 163.5(6) 3_676 3_676 3_676 ? C15 C24 C20 130.4(5) 3_676 3_676 3_676 ? C15 C24 C21 119.7(6) 3_676 3_676 3_676 ? C15 C24 C22 149.3(11) 3_676 3_676 3_676 ? C15 C24 C30 88.1(5) 3_676 3_676 3_676 ? C15 C24 H12 32.9 3_676 3_676 3_676 no C15 C24 H13 133.2 3_676 3_676 3_676 no C15 C24 H13 14.6 3_676 3_676 3_676 no C15 C24 H14 97.7 3_676 3_676 3_676 no C15 C24 H17 96.3 3_676 3_676 3_676 no C15 C24 H18 53.3 3_676 3_676 3_676 no C15 C24 H21 94.1 3_676 3_676 3_676 no C15 C24 H22 39.9 3_676 3_676 3_676 no C15 C24 H23 80.7 3_676 3_676 3_676 no C15 C24 H24 82.4 3_676 3_676 3_676 no C15 C24 H27 99.2 3_676 3_676 3_676 no C15 C24 H28 127.1 3_676 3_676 3_676 no C15 C24 H29 89.9 3_676 3_676 3_676 no C16 C24 C19 91.2(5) 2_656 2_656 2_656 ? C16 C24 C20 87.4(5) 2_656 2_656 2_656 ? C16 C24 C21 86.6(6) 2_656 2_656 2_656 ? C16 C24 C22 88.6(9) 2_656 2_656 2_656 ? C16 C24 C30 132.6(5) 2_656 2_656 2_656 ? C16 C24 H12 71.6 2_656 2_656 2_656 no C16 C24 H13 32.5 2_656 2_656 2_656 no C16 C24 H13 106.4 2_656 2_656 2_656 no C16 C24 H14 16.5 2_656 2_656 2_656 no C16 C24 H17 86.9 2_656 2_656 2_656 no C16 C24 H18 147.6 2_656 2_656 2_656 no C16 C24 H21 35.4 2_656 2_656 2_656 no C16 C24 H22 92.5 2_656 2_656 2_656 no C16 C24 H23 144.2 2_656 2_656 2_656 no C16 C24 H24 136.7 2_656 2_656 2_656 no C16 C24 H27 118.3 2_656 2_656 2_656 no C16 C24 H28 66.3 2_656 2_656 2_656 no C16 C24 H29 56.0 2_656 2_656 2_656 no C19 C24 C20 38.2(5) . . . ? C19 C24 C21 49.3(6) . . . ? C19 C24 C22 18.3(10) . . . ? C19 C24 C30 91.9(6) . . . ? C19 C24 H12 162.3 . . . no C19 C24 H13 60.2 . . . no C19 C24 H13 149.5 . . . no C19 C24 H14 90.8 . . . no C19 C24 H17 73.1 . . . no C19 C24 H18 111.2 . . . no C19 C24 H21 102.2 . . . no C19 C24 H22 129.3 . . . no C19 C24 H23 96.1 . . . no C19 C24 H24 81.1 . . . no C19 C24 H27 84.6 . . . no C19 C24 H28 68.0 . . . no C19 C24 H29 106.2 . . . no C20 C24 C21 11.1(5) . . . ? C20 C24 C22 19.9(10) . . . ? C20 C24 C30 121.3(5) . . . ? C20 C24 H12 140.3 . . . no C20 C24 H13 69.8 . . . no C20 C24 H13 116.3 . . . no C20 C24 H14 77.1 . . . no C20 C24 H17 34.9 . . . no C20 C24 H18 95.9 . . . no C20 C24 H21 117.0 . . . no C20 C24 H22 91.5 . . . no C20 C24 H23 119.0 . . . no C20 C24 H24 60.6 . . . no C20 C24 H27 119.6 . . . no C20 C24 H28 101.2 . . . no C20 C24 H29 132.0 . . . no C21 C24 C22 31.0(8) . . . ? C21 C24 C30 128.7(7) . . . ? C21 C24 H12 130.3 . . . no C21 C24 H13 74.5 . . . no C21 C24 H13 106.0 . . . no C21 C24 H14 74.0 . . . no C21 C24 H17 23.8 . . . no C21 C24 H18 90.7 . . . no C21 C24 H21 119.4 . . . no C21 C24 H22 80.5 . . . no C21 C24 H23 124.1 . . . no C21 C24 H24 56.3 . . . no C21 C24 H27 129.4 . . . no C21 C24 H28 110.7 . . . no C21 C24 H29 137.2 . . . no C22 C24 C30 106.9(10) . . . ? C22 C24 H12 155.6 . . . no C22 C24 H13 62.6 . . . no C22 C24 H13 134.8 . . . no C22 C24 H14 83.2 . . . no C22 C24 H17 54.8 . . . no C22 C24 H18 105.3 . . . no C22 C24 H21 109.6 . . . no C22 C24 H22 111.3 . . . no C22 C24 H23 108.4 . . . no C22 C24 H24 71.1 . . . no C22 C24 H27 101.8 . . . no C22 C24 H28 83.4 . . . no C22 C24 H29 119.0 . . . no C30 C24 H12 97.1 3_676 3_676 3_676 no C30 C24 H13 118.6 3_676 3_676 3_676 no C30 C24 H13 93.9 3_676 3_676 3_676 no C30 C24 H14 149.1 3_676 3_676 3_676 no C30 C24 H17 138.8 3_676 3_676 3_676 no C30 C24 H18 71.9 3_676 3_676 3_676 no C30 C24 H21 98.1 3_676 3_676 3_676 no C30 C24 H22 120.5 3_676 3_676 3_676 no C30 C24 H23 12.9 3_676 3_676 3_676 no C30 C24 H24 90.5 3_676 3_676 3_676 no C30 C24 H27 16.1 3_676 3_676 3_676 no C30 C24 H28 71.3 3_676 3_676 3_676 no C30 C24 H29 77.8 3_676 3_676 3_676 no H12 C24 H13 102.1 3_676 3_676 3_676 no H12 C24 H13 45.1 3_676 3_676 3_676 no H12 C24 H14 73.8 3_676 3_676 3_676 no H12 C24 H17 108.6 3_676 3_676 3_676 no H12 C24 H18 86.1 3_676 3_676 3_676 no H12 C24 H21 61.5 3_676 3_676 3_676 no H12 C24 H22 57.4 3_676 3_676 3_676 no H12 C24 H23 96.0 3_676 3_676 3_676 no H12 C24 H24 113.8 3_676 3_676 3_676 no H12 C24 H27 100.1 3_676 3_676 3_676 no H12 C24 H28 100.5 3_676 3_676 3_676 no H12 C24 H29 61.4 3_676 3_676 3_676 no H13 C24 H13 138.5 2_656 2_656 2_656 no H13 C24 H14 39.9 2_656 2_656 2_656 no H13 C24 H17 87.4 2_656 2_656 2_656 no H13 C24 H18 165.1 2_656 2_656 2_656 no H13 C24 H21 47.7 2_656 2_656 2_656 no H13 C24 H22 119.0 2_656 2_656 2_656 no H13 C24 H23 131.0 2_656 2_656 2_656 no H13 C24 H24 130.4 2_656 2_656 2_656 no H13 C24 H27 102.6 2_656 2_656 2_656 no H13 C24 H28 48.1 2_656 2_656 2_656 no H13 C24 H29 62.7 2_656 2_656 2_656 no H13 C24 H14 99.2 3_676 3_676 3_676 no H13 C24 H17 83.0 3_676 3_676 3_676 no H13 C24 H18 43.7 3_676 3_676 3_676 no H13 C24 H21 106.5 3_676 3_676 3_676 no H13 C24 H22 28.5 3_676 3_676 3_676 no H13 C24 H23 84.1 3_676 3_676 3_676 no H13 C24 H24 69.0 3_676 3_676 3_676 no H13 C24 H27 107.3 3_676 3_676 3_676 no H13 C24 H28 141.8 3_676 3_676 3_676 no H13 C24 H29 104.3 3_676 3_676 3_676 no H14 C24 H17 71.0 2_656 2_656 2_656 no H14 C24 H18 134.7 2_656 2_656 2_656 no H14 C24 H21 51.4 2_656 2_656 2_656 no H14 C24 H22 80.0 2_656 2_656 2_656 no H14 C24 H23 160.2 2_656 2_656 2_656 no H14 C24 H24 120.4 2_656 2_656 2_656 no H14 C24 H27 134.7 2_656 2_656 2_656 no H14 C24 H28 81.3 2_656 2_656 2_656 no H14 C24 H29 71.8 2_656 2_656 2_656 no H17 C24 H18 78.2 . . . no H17 C24 H21 122.3 . . . no H17 C24 H22 56.7 . . . no H17 C24 H23 128.8 . . . no H17 C24 H24 50.0 . . . no H17 C24 H27 147.0 . . . no H17 C24 H28 131.3 . . . no H17 C24 H29 142.8 . . . no H18 C24 H21 145.2 2_546 2_546 2_546 no H18 C24 H22 55.2 2_546 2_546 2_546 no H18 C24 H23 59.1 2_546 2_546 2_546 no H18 C24 H24 35.3 2_546 2_546 2_546 no H18 C24 H27 88.0 2_546 2_546 2_546 no H18 C24 H28 143.1 2_546 2_546 2_546 no H18 C24 H29 131.9 2_546 2_546 2_546 no H21 C24 H22 109.5 . . . no H21 C24 H23 108.9 . . . no H21 C24 H24 170.7 . . . no H21 C24 H27 85.6 . . . no H21 C24 H28 45.0 . . . no H21 C24 H29 20.5 . . . no H22 C24 H23 109.1 . . . no H22 C24 H24 62.5 . . . no H22 C24 H27 135.1 . . . no H22 C24 H28 154.5 . . . no H22 C24 H29 117.4 . . . no H23 C24 H24 79.1 . . . no H23 C24 H27 28.9 . . . no H23 C24 H28 84.1 . . . no H23 C24 H29 88.4 . . . no H24 C24 H27 103.4 4_475 4_475 4_475 no H24 C24 H28 142.9 4_475 4_475 4_475 no H24 C24 H29 166.2 4_475 4_475 4_475 no H27 C24 H28 55.2 3_676 3_676 3_676 no H27 C24 H29 66.4 3_676 3_676 3_676 no H28 C24 H29 39.2 2_646 2_646 2_646 no O2 C25 N3 57.6(8) . . . ? O2 C25 N4 37.3(4) . . . ? O2 C25 C19 27.1(5) . . . ? O2 C25 C20 86.3(7) . . . ? O2 C25 C21 75.8(5) . . . ? O2 C25 C23 118.7(7) . . . ? O2 C25 C26 100.0(9) . . . ? O2 C25 C27 112.1(6) . . . ? O2 C25 C28 119.0(6) . . . ? O2 C25 C29 117.1(7) . . . ? O2 C25 C30 106.9(11) . . . ? O2 C25 H14 169.6 . . . no O2 C25 H17 37.6 . . . no O2 C25 H18 117.9 . . . no O2 C25 H18 88.2 . . . no O2 C25 H19 138.9 . . . no O2 C25 H20 118.9 . . . no O2 C25 H20 65.7 . . . no O2 C25 H23 56.4 . . . no O2 C25 H24 86.2 . . . no O2 C25 H25 108.9 . . . no O2 C25 H26 114.7 . . . no O2 C25 H27 95.7 . . . no N3 C25 N4 20.4(8) . . . ? N3 C25 C19 30.6(8) . . . ? N3 C25 C20 28.6(8) . . . ? N3 C25 C21 18.2(8) . . . ? N3 C25 C23 61.1(8) . . . ? N3 C25 C26 117.3(15) . . . ? N3 C25 C27 146.5(13) . . . ? N3 C25 C28 175.9(11) . . . ? N3 C25 C29 152.4(13) . . . ? N3 C25 C30 123.2(15) . . . ? N3 C25 H14 118.3 . . . no N3 C25 H17 80.0 . . . no N3 C25 H18 60.9 . . . no N3 C25 H18 63.5 . . . no N3 C25 H19 81.4 . . . no N3 C25 H20 65.0 . . . no N3 C25 H20 123.1 . . . no N3 C25 H23 90.4 . . . no N3 C25 H24 90.5 . . . no N3 C25 H25 136.9 . . . no N3 C25 H26 143.7 . . . no N3 C25 H27 98.1 . . . no N4 C25 C19 10.3(6) . . . ? N4 C25 C20 49.0(6) . . . ? N4 C25 C21 38.5(3) . . . ? N4 C25 C23 81.5(5) . . . ? N4 C25 C26 111.7(11) . . . ? N4 C25 C27 137.1(7) . . . ? N4 C25 C28 155.9(6) . . . ? N4 C25 C29 147.0(8) . . . ? N4 C25 C30 122.8(11) . . . ? N4 C25 H14 137.6 . . . no N4 C25 H17 62.0 . . . no N4 C25 H18 80.7 . . . no N4 C25 H18 68.7 . . . no N4 C25 H19 101.6 . . . no N4 C25 H20 84.7 . . . no N4 C25 H20 102.7 . . . no N4 C25 H23 78.7 . . . no N4 C25 H24 86.8 . . . no N4 C25 H25 129.3 . . . no N4 C25 H26 140.4 . . . no N4 C25 H27 100.1 . . . no C19 C25 C20 59.2(8) . . . ? C19 C25 C21 48.8(7) . . . ? C19 C25 C23 91.6(8) . . . ? C19 C25 C26 109.6(11) . . . ? C19 C25 C27 131.7(8) . . . ? C19 C25 C28 145.9(8) . . . ? C19 C25 C29 139.5(9) . . . ? C19 C25 C30 119.0(13) . . . ? C19 C25 H14 147.6 . . . no C19 C25 H17 54.5 . . . no C19 C25 H18 91.0 . . . no C19 C25 H18 74.0 . . . no C19 C25 H19 111.8 . . . no C19 C25 H20 94.0 . . . no C19 C25 H20 92.6 . . . no C19 C25 H23 71.6 . . . no C19 C25 H24 86.9 . . . no C19 C25 H25 125.2 . . . no C19 C25 H26 134.2 . . . no C19 C25 H27 98.8 . . . no C20 C25 C21 10.5(6) . . . ? C20 C25 C23 32.5(4) . . . ? C20 C25 C26 116.7(12) . . . ? C20 C25 C27 140.8(9) . . . ? C20 C25 C28 154.7(8) . . . ? C20 C25 C29 141.7(8) . . . ? C20 C25 C30 118.4(11) . . . ? C20 C25 H14 90.2 . . . no C20 C25 H17 104.3 . . . no C20 C25 H18 33.1 . . . no C20 C25 H18 59.7 . . . no C20 C25 H19 53.0 . . . no C20 C25 H20 39.2 . . . no C20 C25 H20 151.6 . . . no C20 C25 H23 108.5 . . . no C20 C25 H24 93.2 . . . no C20 C25 H25 133.2 . . . no C20 C25 H26 135.3 . . . no C20 C25 H27 95.9 . . . no C21 C25 C23 42.9(5) . . . ? C21 C25 C26 116.9(11) . . . ? C21 C25 C27 144.2(8) . . . ? C21 C25 C28 164.8(6) . . . ? C21 C25 C29 148.7(7) . . . ? C21 C25 C30 122.1(11) . . . ? C21 C25 H14 100.3 . . . no C21 C25 H17 95.0 . . . no C21 C25 H18 42.9 . . . no C21 C25 H18 59.2 . . . no C21 C25 H19 63.2 . . . no C21 C25 H20 48.8 . . . no C21 C25 H20 141.1 . . . no C21 C25 H23 102.8 . . . no C21 C25 H24 91.3 . . . no C21 C25 H25 135.3 . . . no C21 C25 H26 141.1 . . . no C21 C25 H27 97.9 . . . no C23 C25 C26 109.2(10) . . . ? C23 C25 C27 119.7(7) . . . ? C23 C25 C28 122.3(6) . . . ? C23 C25 C29 115.5(7) . . . ? C23 C25 C30 103.7(9) . . . ? C23 C25 H14 58.7 . . . no C23 C25 H17 131.3 . . . no C23 C25 H18 10.5 . . . no C23 C25 H18 66.4 . . . no C23 C25 H19 21.3 . . . no C23 C25 H20 18.0 . . . no C23 C25 H20 174.8 . . . no C23 C25 H23 123.6 . . . no C23 C25 H24 96.6 . . . no C23 C25 H25 116.6 . . . no C23 C25 H26 112.5 . . . no C23 C25 H27 90.4 . . . no C26 C25 C27 29.2(8) . . . ? C26 C25 C28 59.9(9) . . . ? C26 C25 C29 90.0(11) . . . ? C26 C25 C30 119.2(15) . . . ? C26 C25 H14 72.9 . . . no C26 C25 H17 62.5 . . . no C26 C25 H18 99.6 . . . no C26 C25 H18 57.7 . . . no C26 C25 H19 95.0 . . . no C26 C25 H20 124.5 . . . no C26 C25 H20 66.5 . . . no C26 C25 H23 127.3 . . . no C26 C25 H24 26.8 . . . no C26 C25 H25 19.6 . . . no C26 C25 H26 98.7 . . . no C26 C25 H27 144.4 . . . no C27 C25 C28 30.7(4) . . . ? C27 C25 C29 60.8(6) . . . ? C27 C25 C30 90.0(10) . . . ? C27 C25 H14 65.4 . . . no C27 C25 H17 77.6 . . . no C27 C25 H18 113.4 . . . no C27 C25 H18 85.6 . . . no C27 C25 H19 99.6 . . . no C27 C25 H20 127.5 . . . no C27 C25 H20 55.1 . . . no C27 C25 H23 110.5 . . . no C27 C25 H24 56.0 . . . no C27 C25 H25 9.6 . . . no C27 C25 H26 69.5 . . . no C27 C25 H27 115.2 . . . no C28 C25 C29 30.1(4) . . . ? C28 C25 C30 59.3(9) . . . ? C28 C25 H14 64.6 . . . no C28 C25 H17 95.9 . . . no C28 C25 H18 121.9 . . . no C28 C25 H18 115.0 . . . no C28 C25 H19 101.7 . . . no C28 C25 H20 119.0 . . . no C28 C25 H20 53.3 . . . no C28 C25 H23 89.2 . . . no C28 C25 H24 86.8 . . . no C28 C25 H25 40.3 . . . no C28 C25 H26 38.8 . . . no C28 C25 H27 84.5 . . . no C29 C25 C30 29.2(8) . . . ? C29 C25 H14 71.2 . . . no C29 C25 H17 112.5 . . . no C29 C25 H18 121.1 . . . no C29 C25 H18 143.1 . . . no C29 C25 H19 100.8 . . . no C29 C25 H20 103.6 . . . no C29 C25 H20 62.4 . . . no C29 C25 H23 68.4 . . . no C29 C25 H24 116.8 . . . no C29 C25 H25 70.4 . . . no C29 C25 H26 8.7 . . . no C29 C25 H27 54.4 . . . no C30 C25 H14 83.4 . . . no C30 C25 H17 122.6 . . . no C30 C25 H18 113.0 . . . no C30 C25 H18 164.8 . . . no C30 C25 H19 98.4 . . . no C30 C25 H20 87.0 . . . no C30 C25 H20 76.7 . . . no C30 C25 H23 50.6 . . . no C30 C25 H24 146.0 . . . no C30 C25 H25 99.6 . . . no C30 C25 H26 20.5 . . . no C30 C25 H27 25.2 . . . no H14 C25 H17 135.1 4_475 4_475 4_475 no H14 C25 H18 57.4 4_475 4_475 4_475 no H14 C25 H18 81.6 4_475 4_475 4_475 no H14 C25 H19 37.4 4_475 4_475 4_475 no H14 C25 H20 62.1 4_475 4_475 4_475 no H14 C25 H20 116.5 4_475 4_475 4_475 no H14 C25 H23 133.9 4_475 4_475 4_475 no H14 C25 H24 84.3 4_475 4_475 4_475 no H14 C25 H25 66.9 4_475 4_475 4_475 no H14 C25 H26 74.5 4_475 4_475 4_475 no H14 C25 H27 94.4 4_475 4_475 4_475 no H17 C25 H18 123.5 4_575 4_575 4_575 no H17 C25 H18 70.6 4_575 4_575 4_575 no H17 C25 H19 138.8 4_575 4_575 4_575 no H17 C25 H20 143.5 4_575 4_575 4_575 no H17 C25 H20 50.2 4_575 4_575 4_575 no H17 C25 H23 81.7 4_575 4_575 4_575 no H17 C25 H24 53.2 4_575 4_575 4_575 no H17 C25 H25 72.5 4_575 4_575 4_575 no H17 C25 H26 116.3 4_575 4_575 4_575 no H17 C25 H27 125.1 4_575 4_575 4_575 no H18 C25 H18 56.3 . . . no H18 C25 H19 21.1 . . . no H18 C25 H20 28.5 . . . no H18 C25 H20 166.1 . . . no H18 C25 H23 132.9 . . . no H18 C25 H24 86.1 . . . no H18 C25 H25 109.0 . . . no H18 C25 H26 119.4 . . . no H18 C25 H27 100.8 . . . no H18 C25 H19 68.2 3_686 3_686 3_686 no H18 C25 H20 84.2 3_686 3_686 3_686 no H18 C25 H20 112.0 3_686 3_686 3_686 no H18 C25 H23 144.3 3_686 3_686 3_686 no H18 C25 H24 33.7 3_686 3_686 3_686 no H18 C25 H25 76.3 3_686 3_686 3_686 no H18 C25 H26 150.8 3_686 3_686 3_686 no H18 C25 H27 155.1 3_686 3_686 3_686 no H19 C25 H20 30.0 . . . no H19 C25 H20 153.7 . . . no H19 C25 H23 134.9 . . . no H19 C25 H24 90.7 . . . no H19 C25 H25 97.9 . . . no H19 C25 H26 100.3 . . . no H19 C25 H27 93.7 . . . no H20 C25 H20 163.7 . . . no H20 C25 H23 107.5 . . . no H20 C25 H24 114.5 . . . no H20 C25 H25 127.4 . . . no H20 C25 H26 98.7 . . . no H20 C25 H27 72.4 . . . no H20 C25 H23 60.8 4_575 4_575 4_575 no H20 C25 H24 80.7 4_575 4_575 4_575 no H20 C25 H25 58.4 4_575 4_575 4_575 no H20 C25 H26 66.3 4_575 4_575 4_575 no H20 C25 H27 91.8 4_575 4_575 4_575 no H23 C25 H24 133.9 3_676 3_676 3_676 no H23 C25 H25 116.9 3_676 3_676 3_676 no H23 C25 H26 62.5 3_676 3_676 3_676 no H23 C25 H27 43.4 3_676 3_676 3_676 no H24 C25 H25 46.5 . . . no H24 C25 H26 125.5 . . . no H24 C25 H27 170.9 . . . no H25 C25 H26 79.1 . . . no H25 C25 H27 124.8 . . . no H26 C25 H27 45.7 . . . no O2 C26 O2 116.8(4) . . . ? O2 C26 N3 44.3(4) . . . ? O2 C26 C19 21.9(4) . . . ? O2 C26 C20 64.5(5) . . . ? O2 C26 C20 65.8(4) . . . ? O2 C26 C21 57.3(4) . . . ? O2 C26 C23 88.2(5) . . . ? O2 C26 C23 58.9(3) . . . ? O2 C26 C25 54.6(8) . . . ? O2 C26 C27 128.3(10) . . . ? O2 C26 C28 112.0(6) . . . ? O2 C26 C29 91.5(6) . . . ? O2 C26 C30 71.1(6) . . . ? O2 C26 C31 118.0(5) . . . ? O2 C26 H14 136.9 . . . no O2 C26 H17 39.9 . . . no O2 C26 H17 135.1 . . . no O2 C26 H18 89.4 . . . no O2 C26 H19 100.7 . . . no O2 C26 H20 63.6 . . . no O2 C26 H24 84.5 . . . no O2 C26 H25 134.4 . . . no O2 C26 H26 91.9 . . . no O2 C26 H27 65.6 . . . no O2 C26 H28 146.7 . . . no O2 C26 N3 125.9(6) 2_656 2_656 2_656 ? O2 C26 C19 117.0(6) 2_656 2_656 2_656 ? O2 C26 C20 116.6(5) 2_656 2_656 2_656 ? O2 C26 C20 76.0(4) 2_656 2_656 2_656 ? O2 C26 C21 68.7(4) 2_656 2_656 2_656 ? O2 C26 C23 114.8(5) 2_656 2_656 2_656 ? O2 C26 C23 97.9(4) 2_656 2_656 2_656 ? O2 C26 C25 156.8(12) 2_656 2_656 2_656 ? O2 C26 C27 82.4(10) 2_656 2_656 2_656 ? O2 C26 C28 113.1(8) 2_656 2_656 2_656 ? O2 C26 C29 143.2(8) 2_656 2_656 2_656 ? O2 C26 C30 171.5(8) 2_656 2_656 2_656 ? O2 C26 C31 102.2(5) 2_656 2_656 2_656 ? O2 C26 H14 99.2 2_656 2_656 2_656 no O2 C26 H17 80.9 2_656 2_656 2_656 no O2 C26 H17 39.2 2_656 2_656 2_656 no O2 C26 H18 56.2 2_656 2_656 2_656 no O2 C26 H19 113.8 2_656 2_656 2_656 no O2 C26 H20 106.7 2_656 2_656 2_656 no O2 C26 H24 40.6 2_656 2_656 2_656 no O2 C26 H25 55.4 2_656 2_656 2_656 no O2 C26 H26 142.4 2_656 2_656 2_656 no O2 C26 H27 175.9 2_656 2_656 2_656 no O2 C26 H28 73.9 2_656 2_656 2_656 no N3 C26 C19 24.4(4) . . . ? N3 C26 C20 20.9(4) . . . ? N3 C26 C20 109.9(5) . . . ? N3 C26 C21 97.3(6) . . . ? N3 C26 C23 43.9(5) . . . ? N3 C26 C23 101.5(6) . . . ? N3 C26 C25 31.6(8) . . . ? N3 C26 C27 151.7(12) . . . ? N3 C26 C28 121.0(8) . . . ? N3 C26 C29 90.7(7) . . . ? N3 C26 C30 61.6(7) . . . ? N3 C26 C31 131.9(7) . . . ? N3 C26 H14 95.9 . . . no N3 C26 H17 79.1 . . . no N3 C26 H17 110.4 . . . no N3 C26 H18 71.7 . . . no N3 C26 H19 56.9 . . . no N3 C26 H20 102.5 . . . no N3 C26 H24 85.8 . . . no N3 C26 H25 178.3 . . . no N3 C26 H26 91.5 . . . no N3 C26 H27 53.1 . . . no N3 C26 H28 154.9 . . . no C19 C26 C20 43.3(6) . . . ? C19 C26 C20 85.8(6) . . . ? C19 C26 C21 73.1(6) . . . ? C19 C26 C23 67.8(6) . . . ? C19 C26 C23 80.7(6) . . . ? C19 C26 C25 45.9(9) . . . ? C19 C26 C27 148.5(12) . . . ? C19 C26 C28 125.1(8) . . . ? C19 C26 C29 98.1(7) . . . ? C19 C26 C30 71.4(7) . . . ? C19 C26 C31 133.8(7) . . . ? C19 C26 H14 120.3 . . . no C19 C26 H17 54.8 . . . no C19 C26 H17 119.8 . . . no C19 C26 H18 74.2 . . . no C19 C26 H19 81.2 . . . no C19 C26 H20 85.0 . . . no C19 C26 H24 77.9 . . . no C19 C26 H25 154.7 . . . no C19 C26 H26 98.7 . . . no C19 C26 H27 63.8 . . . no C19 C26 H28 165.9 . . . no C20 C26 C20 128.7(6) . . . ? C20 C26 C21 112.6(6) . . . ? C20 C26 C23 25.1(3) . . . ? C20 C26 C23 122.4(6) . . . ? C20 C26 C25 40.9(9) . . . ? C20 C26 C27 151.3(10) . . . ? C20 C26 C28 124.6(7) . . . ? C20 C26 C29 96.1(6) . . . ? C20 C26 C30 68.8(6) . . . ? C20 C26 C31 134.9(5) . . . ? C20 C26 H14 79.0 . . . no C20 C26 H17 95.2 . . . no C20 C26 H17 91.8 . . . no C20 C26 H18 60.5 . . . no C20 C26 H19 39.2 . . . no C20 C26 H20 122.9 . . . no C20 C26 H24 81.2 . . . no C20 C26 H25 160.6 . . . no C20 C26 H26 97.0 . . . no C20 C26 H27 61.0 . . . no C20 C26 H28 142.1 . . . no C20 C26 C21 21.4(3) 4_575 4_575 4_575 ? C20 C26 C23 153.7(6) 4_575 4_575 4_575 ? C20 C26 C23 22.6(3) 4_575 4_575 4_575 ? C20 C26 C25 112.6(9) 4_575 4_575 4_575 ? C20 C26 C27 74.7(8) 4_575 4_575 4_575 ? C20 C26 C28 85.6(5) 4_575 4_575 4_575 ? C20 C26 C29 97.2(5) 4_575 4_575 4_575 ? C20 C26 C30 106.1(6) 4_575 4_575 4_575 ? C20 C26 C31 80.7(4) 4_575 4_575 4_575 ? C20 C26 H14 151.4 4_575 4_575 4_575 no C20 C26 H17 34.8 4_575 4_575 4_575 no C20 C26 H17 115.2 4_575 4_575 4_575 no C20 C26 H18 107.5 4_575 4_575 4_575 no C20 C26 H19 166.3 4_575 4_575 4_575 no C20 C26 H20 34.1 4_575 4_575 4_575 no C20 C26 H24 82.2 4_575 4_575 4_575 no C20 C26 H25 69.0 4_575 4_575 4_575 no C20 C26 H26 96.5 4_575 4_575 4_575 no C20 C26 H27 108.1 4_575 4_575 4_575 no C20 C26 H28 88.7 4_575 4_575 4_575 no C21 C26 C23 137.1(6) 4_575 4_575 4_575 ? C21 C26 C23 39.4(4) 4_575 4_575 4_575 ? C21 C26 C25 111.1(9) 4_575 4_575 4_575 ? C21 C26 C27 93.9(9) 4_575 4_575 4_575 ? C21 C26 C28 107.0(6) 4_575 4_575 4_575 ? C21 C26 C29 115.4(6) 4_575 4_575 4_575 ? C21 C26 C30 116.2(6) 4_575 4_575 4_575 ? C21 C26 C31 101.9(5) 4_575 4_575 4_575 ? C21 C26 H14 165.8 4_575 4_575 4_575 no C21 C26 H17 18.3 4_575 4_575 4_575 no C21 C26 H17 106.1 4_575 4_575 4_575 no C21 C26 H18 87.2 4_575 4_575 4_575 no C21 C26 H19 151.1 4_575 4_575 4_575 no C21 C26 H20 52.0 4_575 4_575 4_575 no C21 C26 H24 63.2 4_575 4_575 4_575 no C21 C26 H25 82.1 4_575 4_575 4_575 no C21 C26 H26 114.9 4_575 4_575 4_575 no C21 C26 H27 115.1 4_575 4_575 4_575 no C21 C26 H28 105.1 4_575 4_575 4_575 no C23 C26 C23 142.0(5) . . . ? C23 C26 C25 48.5(8) . . . ? C23 C26 C27 128.8(10) . . . ? C23 C26 C28 109.5(6) . . . ? C23 C26 C29 87.4(5) . . . ? C23 C26 C30 66.9(5) . . . ? C23 C26 C31 117.6(5) . . . ? C23 C26 H14 53.9 . . . no C23 C26 H17 120.3 . . . no C23 C26 H17 79.6 . . . no C23 C26 H18 66.0 . . . no C23 C26 H19 14.1 . . . no C23 C26 H20 137.3 . . . no C23 C26 H24 91.4 . . . no C23 C26 H25 137.2 . . . no C23 C26 H26 88.3 . . . no C23 C26 H27 61.5 . . . no C23 C26 H28 117.1 . . . no C23 C26 C25 94.3(9) 4_575 4_575 4_575 ? C23 C26 C27 71.7(8) 4_575 4_575 4_575 ? C23 C26 C28 71.4(5) 4_575 4_575 4_575 ? C23 C26 C29 76.2(4) 4_575 4_575 4_575 ? C23 C26 C30 83.6(5) 4_575 4_575 4_575 ? C23 C26 C31 70.2(4) 4_575 4_575 4_575 ? C23 C26 H14 141.5 4_575 4_575 4_575 no C23 C26 H17 44.3 4_575 4_575 4_575 no C23 C26 H17 136.6 4_575 4_575 4_575 no C23 C26 H18 126.0 4_575 4_575 4_575 no C23 C26 H19 148.0 4_575 4_575 4_575 no C23 C26 H20 12.7 4_575 4_575 4_575 no C23 C26 H24 102.6 4_575 4_575 4_575 no C23 C26 H25 77.0 4_575 4_575 4_575 no C23 C26 H26 75.6 4_575 4_575 4_575 no C23 C26 H27 86.2 4_575 4_575 4_575 no C23 C26 H28 89.2 4_575 4_575 4_575 no C25 C26 C27 120.2(15) . . . ? C25 C26 C28 89.5(10) . . . ? C25 C26 C29 59.2(9) . . . ? C25 C26 C30 30.1(8) . . . ? C25 C26 C31 100.5(11) . . . ? C25 C26 H14 83.0 . . . no C25 C26 H17 94.4 . . . no C25 C26 H17 128.1 . . . no C25 C26 H18 100.8 . . . no C25 C26 H19 54.6 . . . no C25 C26 H20 88.8 . . . no C25 C26 H24 117.3 . . . no C25 C26 H25 147.3 . . . no C25 C26 H26 60.0 . . . no C25 C26 H27 21.7 . . . no C25 C26 H28 126.1 . . . no C27 C26 C28 30.8(8) . . . ? C27 C26 C29 61.1(9) . . . ? C27 C26 C30 90.2(10) . . . ? C27 C26 C31 19.8(9) . . . ? C27 C26 H14 76.7 . . . no C27 C26 H17 109.6 . . . no C27 C26 H17 91.1 . . . no C27 C26 H18 135.0 . . . no C27 C26 H19 114.9 . . . no C27 C26 H20 65.0 . . . no C27 C26 H24 122.4 . . . no C27 C26 H25 27.1 . . . no C27 C26 H26 60.2 . . . no C27 C26 H27 98.6 . . . no C27 C26 H28 18.3 . . . no C28 C26 C29 30.3(4) . . . ? C28 C26 C30 59.4(6) . . . ? C28 C26 C31 11.0(5) . . . ? C28 C26 H14 70.1 . . . no C28 C26 H17 115.7 . . . no C28 C26 H17 112.8 . . . no C28 C26 H18 158.3 . . . no C28 C26 H19 98.3 . . . no C28 C26 H20 59.9 . . . no C28 C26 H24 153.1 . . . no C28 C26 H25 57.8 . . . no C28 C26 H26 29.5 . . . no C28 C26 H27 67.9 . . . no C28 C26 H28 41.4 . . . no C29 C26 C30 29.1(4) . . . ? C29 C26 C31 41.3(5) . . . ? C29 C26 H14 69.5 . . . no C29 C26 H17 114.1 . . . no C29 C26 H17 130.3 . . . no C29 C26 H18 153.3 . . . no C29 C26 H19 80.5 . . . no C29 C26 H20 63.7 . . . no C29 C26 H24 175.9 . . . no C29 C26 H25 88.2 . . . no C29 C26 H26 0.9 . . . no C29 C26 H27 37.5 . . . no C29 C26 H28 69.8 . . . no C30 C26 C31 70.4(6) . . . ? C30 C26 H14 74.9 . . . no C30 C26 H17 105.6 . . . no C30 C26 H17 137.5 . . . no C30 C26 H18 129.2 . . . no C30 C26 H19 65.7 . . . no C30 C26 H20 73.5 . . . no C30 C26 H24 147.3 . . . no C30 C26 H25 117.2 . . . no C30 C26 H26 29.9 . . . no C30 C26 H27 8.5 . . . no C30 C26 H28 97.8 . . . no C31 C26 H14 72.6 . . . no C31 C26 H17 113.6 . . . no C31 C26 H17 105.8 . . . no C31 C26 H18 151.9 . . . no C31 C26 H19 105.3 . . . no C31 C26 H20 60.0 . . . no C31 C26 H24 142.1 . . . no C31 C26 H25 46.9 . . . no C31 C26 H26 40.5 . . . no C31 C26 H27 78.8 . . . no C31 C26 H28 32.2 . . . no H14 C26 H17 173.7 4_475 4_475 4_475 no H14 C26 H17 64.1 4_475 4_475 4_475 no H14 C26 H18 92.0 4_475 4_475 4_475 no H14 C26 H19 39.9 4_475 4_475 4_475 no H14 C26 H20 129.4 4_475 4_475 4_475 no H14 C26 H24 112.8 4_475 4_475 4_475 no H14 C26 H25 84.9 4_475 4_475 4_475 no H14 C26 H26 69.8 4_475 4_475 4_475 no H14 C26 H27 77.2 4_475 4_475 4_475 no H14 C26 H28 63.2 4_475 4_475 4_475 no H17 C26 H17 113.9 4_575 4_575 4_575 no H17 C26 H18 82.8 4_575 4_575 4_575 no H17 C26 H19 134.4 4_575 4_575 4_575 no H17 C26 H20 56.1 4_575 4_575 4_575 no H17 C26 H24 63.3 4_575 4_575 4_575 no H17 C26 H25 100.2 4_575 4_575 4_575 no H17 C26 H26 113.9 4_575 4_575 4_575 no H17 C26 H27 102.4 4_575 4_575 4_575 no H17 C26 H28 122.7 4_575 4_575 4_575 no H17 C26 H18 46.2 3_686 3_686 3_686 no H17 C26 H19 75.4 3_686 3_686 3_686 no H17 C26 H20 143.1 3_686 3_686 3_686 no H17 C26 H24 53.2 3_686 3_686 3_686 no H17 C26 H25 71.3 3_686 3_686 3_686 no H17 C26 H26 130.2 3_686 3_686 3_686 no H17 C26 H27 136.7 3_686 3_686 3_686 no H17 C26 H28 74.2 3_686 3_686 3_686 no H18 C26 H19 73.1 3_686 3_686 3_686 no H18 C26 H20 138.5 3_686 3_686 3_686 no H18 C26 H24 26.0 3_686 3_686 3_686 no H18 C26 H25 109.9 3_686 3_686 3_686 no H18 C26 H26 154.2 3_686 3_686 3_686 no H18 C26 H27 121.5 3_686 3_686 3_686 no H18 C26 H28 119.8 3_686 3_686 3_686 no H19 C26 H20 139.2 . . . no H19 C26 H24 99.2 . . . no H19 C26 H25 124.1 . . . no H19 C26 H26 81.3 . . . no H19 C26 H27 62.1 . . . no H19 C26 H28 103.0 . . . no H20 C26 H24 115.2 4_575 4_575 4_575 no H20 C26 H25 75.8 4_575 4_575 4_575 no H20 C26 H26 63.1 4_575 4_575 4_575 no H20 C26 H27 77.3 4_575 4_575 4_575 no H20 C26 H28 83.2 4_575 4_575 4_575 no H24 C26 H25 95.3 . . . no H24 C26 H26 176.4 . . . no H24 C26 H27 138.9 . . . no H24 C26 H28 114.2 . . . no H25 C26 H26 87.3 . . . no H25 C26 H27 125.7 . . . no H25 C26 H28 25.0 . . . no H26 C26 H27 38.4 . . . no H26 C26 H28 69.0 . . . no H27 C26 H28 105.9 . . . no O2 C27 N3 91.6(5) 2_656 2_656 2_656 ? O2 C27 N4 37.9(3) 2_656 2_656 2_656 ? O2 C27 C19 17.6(3) 2_656 2_656 2_656 ? O2 C27 C20 76.4(4) 2_656 2_656 2_656 ? O2 C27 C21 63.4(4) 2_656 2_656 2_656 ? O2 C27 C23 99.8(4) 2_656 2_656 2_656 ? O2 C27 C25 103.8(8) 2_656 2_656 2_656 ? O2 C27 C26 73.3(10) 2_656 2_656 2_656 ? O2 C27 C28 165.9(12) 2_656 2_656 2_656 ? O2 C27 C29 162.1(8) 2_656 2_656 2_656 ? O2 C27 C30 133.7(7) 2_656 2_656 2_656 ? O2 C27 C31 136.9(7) 2_656 2_656 2_656 ? O2 C27 C32 110.6(6) 2_656 2_656 2_656 ? O2 C27 C36 143.7(5) 2_656 2_656 2_656 ? O2 C27 H14 97.7 2_656 2_656 2_656 no O2 C27 H17 70.1 2_656 2_656 2_656 no O2 C27 H17 36.5 2_656 2_656 2_656 no O2 C27 H19 93.4 2_656 2_656 2_656 no O2 C27 H20 111.2 2_656 2_656 2_656 no O2 C27 H24 48.3 2_656 2_656 2_656 no O2 C27 H25 45.1 2_656 2_656 2_656 no O2 C27 H26 171.6 2_656 2_656 2_656 no O2 C27 H27 134.2 2_656 2_656 2_656 no O2 C27 H27 91.5 2_656 2_656 2_656 no O2 C27 H28 92.2 2_656 2_656 2_656 no O2 C27 H32 154.3 2_656 2_656 2_656 no N3 C27 N4 128.6(6) . . . ? N3 C27 C19 109.0(6) . . . ? N3 C27 C20 88.6(4) . . . ? N3 C27 C21 73.4(4) . . . ? N3 C27 C23 84.8(5) . . . ? N3 C27 C25 12.4(5) . . . ? N3 C27 C26 18.2(8) . . . ? N3 C27 C28 101.8(10) . . . ? N3 C27 C29 71.3(5) . . . ? N3 C27 C30 42.4(5) . . . ? N3 C27 C31 131.5(7) . . . ? N3 C27 C32 154.5(6) . . . ? N3 C27 C36 123.3(5) . . . ? N3 C27 H14 76.1 . . . no N3 C27 H17 57.4 . . . no N3 C27 H17 81.5 . . . no N3 C27 H19 40.4 . . . no N3 C27 H20 82.7 . . . no N3 C27 H24 43.5 . . . no N3 C27 H25 136.5 . . . no N3 C27 H26 81.3 . . . no N3 C27 H27 42.8 . . . no N3 C27 H27 143.0 . . . no N3 C27 H28 155.5 . . . no N3 C27 H32 108.5 . . . no N4 C27 C19 20.4(3) 2_656 2_656 2_656 ? N4 C27 C20 73.3(4) 2_656 2_656 2_656 ? N4 C27 C21 73.9(4) 2_656 2_656 2_656 ? N4 C27 C23 93.8(4) 2_656 2_656 2_656 ? N4 C27 C25 141.0(8) 2_656 2_656 2_656 ? N4 C27 C26 110.5(11) 2_656 2_656 2_656 ? N4 C27 C28 129.5(11) 2_656 2_656 2_656 ? N4 C27 C29 159.9(8) 2_656 2_656 2_656 ? N4 C27 C30 170.5(8) 2_656 2_656 2_656 ? N4 C27 C31 99.7(6) 2_656 2_656 2_656 ? N4 C27 C32 75.7(5) 2_656 2_656 2_656 ? N4 C27 C36 105.9(5) 2_656 2_656 2_656 ? N4 C27 H14 111.5 2_656 2_656 2_656 no N4 C27 H17 88.1 2_656 2_656 2_656 no N4 C27 H17 62.5 2_656 2_656 2_656 no N4 C27 H19 125.7 2_656 2_656 2_656 no N4 C27 H20 104.0 2_656 2_656 2_656 no N4 C27 H24 85.1 2_656 2_656 2_656 no N4 C27 H25 8.6 2_656 2_656 2_656 no N4 C27 H26 149.9 2_656 2_656 2_656 no N4 C27 H27 170.9 2_656 2_656 2_656 no N4 C27 H27 57.7 2_656 2_656 2_656 no N4 C27 H28 62.1 2_656 2_656 2_656 no N4 C27 H32 118.2 2_656 2_656 2_656 no C19 C27 C20 75.2(5) 2_656 2_656 2_656 ? C19 C27 C21 68.1(5) 2_656 2_656 2_656 ? C19 C27 C23 98.5(5) 2_656 2_656 2_656 ? C19 C27 C25 121.3(8) 2_656 2_656 2_656 ? C19 C27 C26 90.8(11) 2_656 2_656 2_656 ? C19 C27 C28 149.2(12) 2_656 2_656 2_656 ? C19 C27 C29 177.6(6) 2_656 2_656 2_656 ? C19 C27 C30 151.3(8) 2_656 2_656 2_656 ? C19 C27 C31 119.5(7) 2_656 2_656 2_656 ? C19 C27 C32 94.0(6) 2_656 2_656 2_656 ? C19 C27 C36 126.2(6) 2_656 2_656 2_656 ? C19 C27 H14 103.8 2_656 2_656 2_656 no C19 C27 H17 78.9 2_656 2_656 2_656 no C19 C27 H17 46.3 2_656 2_656 2_656 no C19 C27 H19 108.2 2_656 2_656 2_656 no C19 C27 H20 109.9 2_656 2_656 2_656 no C19 C27 H24 65.5 2_656 2_656 2_656 no C19 C27 H25 27.5 2_656 2_656 2_656 no C19 C27 H26 169.6 2_656 2_656 2_656 no C19 C27 H27 151.8 2_656 2_656 2_656 no C19 C27 H27 76.1 2_656 2_656 2_656 no C19 C27 H28 77.3 2_656 2_656 2_656 no C19 C27 H32 138.2 2_656 2_656 2_656 no C20 C27 C21 21.0(3) 4_575 4_575 4_575 ? C20 C27 C23 23.7(3) 4_575 4_575 4_575 ? C20 C27 C25 93.7(6) 4_575 4_575 4_575 ? C20 C27 C26 84.1(9) 4_575 4_575 4_575 ? C20 C27 C28 108.2(9) 4_575 4_575 4_575 ? C20 C27 C29 107.2(6) 4_575 4_575 4_575 ? C20 C27 C30 101.4(6) 4_575 4_575 4_575 ? C20 C27 C31 102.8(6) 4_575 4_575 4_575 ? C20 C27 C32 108.3(5) 4_575 4_575 4_575 ? C20 C27 C36 93.1(5) 4_575 4_575 4_575 ? C20 C27 H14 163.6 4_575 4_575 4_575 no C20 C27 H17 33.0 4_575 4_575 4_575 no C20 C27 H17 111.1 4_575 4_575 4_575 no C20 C27 H19 128.2 4_575 4_575 4_575 no C20 C27 H20 35.2 4_575 4_575 4_575 no C20 C27 H24 76.3 4_575 4_575 4_575 no C20 C27 H25 78.6 4_575 4_575 4_575 no C20 C27 H26 107.7 4_575 4_575 4_575 no C20 C27 H27 101.4 4_575 4_575 4_575 no C20 C27 H27 56.5 4_575 4_575 4_575 no C20 C27 H28 115.8 4_575 4_575 4_575 no C20 C27 H32 87.9 4_575 4_575 4_575 no C21 C27 C23 39.0(4) 4_575 4_575 4_575 ? C21 C27 C25 81.4(6) 4_575 4_575 4_575 ? C21 C27 C26 65.3(8) 4_575 4_575 4_575 ? C21 C27 C28 124.7(9) 4_575 4_575 4_575 ? C21 C27 C29 114.1(6) 4_575 4_575 4_575 ? C21 C27 C30 98.3(6) 4_575 4_575 4_575 ? C21 C27 C31 123.7(6) 4_575 4_575 4_575 ? C21 C27 C32 127.2(5) 4_575 4_575 4_575 ? C21 C27 C36 113.4(5) 4_575 4_575 4_575 ? C21 C27 H14 143.3 4_575 4_575 4_575 no C21 C27 H17 16.3 4_575 4_575 4_575 no C21 C27 H17 94.1 4_575 4_575 4_575 no C21 C27 H19 110.2 4_575 4_575 4_575 no C21 C27 H20 49.2 4_575 4_575 4_575 no C21 C27 H24 55.3 4_575 4_575 4_575 no C21 C27 H25 81.3 4_575 4_575 4_575 no C21 C27 H26 118.0 4_575 4_575 4_575 no C21 C27 H27 98.5 4_575 4_575 4_575 no C21 C27 H27 75.1 4_575 4_575 4_575 no C21 C27 H28 129.3 4_575 4_575 4_575 no C21 C27 H32 106.2 4_575 4_575 4_575 no C23 C27 C25 85.1(5) 4_575 4_575 4_575 ? C23 C27 C26 87.8(9) 4_575 4_575 4_575 ? C23 C27 C28 86.1(9) 4_575 4_575 4_575 ? C23 C27 C29 83.9(5) 4_575 4_575 4_575 ? C23 C27 C30 83.0(5) 4_575 4_575 4_575 ? C23 C27 C31 87.9(6) 4_575 4_575 4_575 ? C23 C27 C32 102.9(5) 4_575 4_575 4_575 ? C23 C27 C36 75.9(4) 4_575 4_575 4_575 ? C23 C27 H14 154.4 4_575 4_575 4_575 no C23 C27 H17 42.4 4_575 4_575 4_575 no C23 C27 H17 133.0 4_575 4_575 4_575 no C23 C27 H19 124.0 4_575 4_575 4_575 no C23 C27 H20 11.6 4_575 4_575 4_575 no C23 C27 H24 89.5 4_575 4_575 4_575 no C23 C27 H25 97.3 4_575 4_575 4_575 no C23 C27 H26 84.0 4_575 4_575 4_575 no C23 C27 H27 82.8 4_575 4_575 4_575 no C23 C27 H27 58.3 4_575 4_575 4_575 no C23 C27 H28 118.2 4_575 4_575 4_575 no C23 C27 H32 67.3 4_575 4_575 4_575 no C25 C27 C26 30.5(8) . . . ? C25 C27 C28 89.4(10) . . . ? C25 C27 C29 58.9(5) . . . ? C25 C27 C30 30.0(4) . . . ? C25 C27 C31 119.2(9) . . . ? C25 C27 C32 142.6(8) . . . ? C25 C27 C36 111.6(7) . . . ? C25 C27 H14 72.6 . . . no C25 C27 H17 65.1 . . . no C25 C27 H17 90.2 . . . no C25 C27 H19 38.9 . . . no C25 C27 H20 80.6 . . . no C25 C27 H24 55.9 . . . no C25 C27 H25 148.8 . . . no C25 C27 H26 68.9 . . . no C25 C27 H27 30.5 . . . no C25 C27 H27 142.5 . . . no C25 C27 H28 149.3 . . . no C25 C27 H32 97.3 . . . no C26 C27 C28 120.0(14) . . . ? C26 C27 C29 89.4(10) . . . ? C26 C27 C30 60.6(9) . . . ? C26 C27 C31 149.7(13) . . . ? C26 C27 C32 167.5(10) . . . ? C26 C27 C36 141.0(11) . . . ? C26 C27 H14 79.5 . . . no C26 C27 H17 51.2 . . . no C26 C27 H17 67.0 . . . no C26 C27 H19 44.9 . . . no C26 C27 H20 89.2 . . . no C26 C27 H24 25.3 . . . no C26 C27 H25 118.3 . . . no C26 C27 H26 99.5 . . . no C26 C27 H27 61.0 . . . no C26 C27 H27 140.4 . . . no C26 C27 H28 152.5 . . . no C26 C27 H32 125.7 . . . no C28 C27 C29 30.5(8) . . . ? C28 C27 C30 59.4(9) . . . ? C28 C27 C31 29.8(9) . . . ? C28 C27 C32 55.4(10) . . . ? C28 C27 C36 25.7(8) . . . ? C28 C27 H14 81.3 . . . no C28 C27 H17 121.2 . . . no C28 C27 H17 140.7 . . . no C28 C27 H19 93.8 . . . no C28 C27 H20 75.5 . . . no C28 C27 H24 145.3 . . . no C28 C27 H25 121.7 . . . no C28 C27 H26 20.5 . . . no C28 C27 H27 58.9 . . . no C28 C27 H27 80.6 . . . no C28 C27 H28 73.7 . . . no C28 C27 H32 21.3 . . . no C29 C27 C30 28.9(4) . . . ? C29 C27 C31 60.3(8) . . . ? C29 C27 C32 85.3(8) . . . ? C29 C27 C36 54.2(5) . . . ? C29 C27 H14 73.9 . . . no C29 C27 H17 103.1 . . . no C29 C27 H17 131.8 . . . no C29 C27 H19 70.4 . . . no C29 C27 H20 72.4 . . . no C29 C27 H24 114.8 . . . no C29 C27 H25 152.3 . . . no C29 C27 H26 10.0 . . . no C29 C27 H27 28.4 . . . no C29 C27 H27 105.1 . . . no C29 C27 H28 101.4 . . . no C29 C27 H32 42.8 . . . no C30 C27 C31 89.2(8) . . . ? C30 C27 C32 113.7(8) . . . ? C30 C27 C36 82.1(6) . . . ? C30 C27 H14 71.4 . . . no C30 C27 H17 83.4 . . . no C30 C27 H17 113.5 . . . no C30 C27 H19 51.2 . . . no C30 C27 H20 73.7 . . . no C30 C27 H24 85.9 . . . no C30 C27 H25 178.8 . . . no C30 C27 H26 38.9 . . . no C30 C27 H27 0.5 . . . no C30 C27 H27 126.4 . . . no C30 C27 H28 127.3 . . . no C30 C27 H32 68.8 . . . no C31 C27 C32 27.6(5) . . . ? C31 C27 C36 13.3(5) . . . ? C31 C27 H14 92.0 . . . no C31 C27 H17 130.3 . . . no C31 C27 H17 133.3 . . . no C31 C27 H19 117.2 . . . no C31 C27 H20 81.1 . . . no C31 C27 H24 174.7 . . . no C31 C27 H25 92.0 . . . no C31 C27 H26 50.3 . . . no C31 C27 H27 88.7 . . . no C31 C27 H27 56.8 . . . no C31 C27 H28 48.4 . . . no C31 C27 H32 28.0 . . . no C32 C27 C36 39.5(5) . . . ? C32 C27 H14 88.2 . . . no C32 C27 H17 141.2 . . . no C32 C27 H17 108.6 . . . no C32 C27 H19 122.6 . . . no C32 C27 H20 100.0 . . . no C32 C27 H24 157.7 . . . no C32 C27 H25 67.4 . . . no C32 C27 H26 75.5 . . . no C32 C27 H27 113.3 . . . no C32 C27 H27 52.1 . . . no C32 C27 H28 21.4 . . . no C32 C27 H32 55.1 . . . no C36 C27 H14 100.3 . . . no C36 C27 H17 117.9 . . . no C36 C27 H17 146.6 . . . no C36 C27 H19 119.2 . . . no C36 C27 H20 68.3 . . . no C36 C27 H24 162.1 . . . no C36 C27 H25 99.1 . . . no C36 C27 H26 44.4 . . . no C36 C27 H27 81.6 . . . no C36 C27 H27 55.1 . . . no C36 C27 H28 60.9 . . . no C36 C27 H32 15.6 . . . no H14 C27 H17 130.6 4_475 4_475 4_475 no H14 C27 H17 61.2 4_475 4_475 4_475 no H14 C27 H19 35.9 4_475 4_475 4_475 no H14 C27 H20 144.5 4_475 4_475 4_475 no H14 C27 H24 88.3 4_475 4_475 4_475 no H14 C27 H25 108.3 4_475 4_475 4_475 no H14 C27 H26 76.4 4_475 4_475 4_475 no H14 C27 H27 71.5 4_475 4_475 4_475 no H14 C27 H27 139.7 4_475 4_475 4_475 no H14 C27 H28 79.4 4_475 4_475 4_475 no H14 C27 H32 102.6 4_475 4_475 4_475 no H17 C27 H17 93.9 4_575 4_575 4_575 no H17 C27 H19 95.6 4_575 4_575 4_575 no H17 C27 H20 49.6 4_575 4_575 4_575 no H17 C27 H24 47.1 4_575 4_575 4_575 no H17 C27 H25 96.0 4_575 4_575 4_575 no H17 C27 H26 109.1 4_575 4_575 4_575 no H17 C27 H27 83.7 4_575 4_575 4_575 no H17 C27 H27 89.4 4_575 4_575 4_575 no H17 C27 H28 145.6 4_575 4_575 4_575 no H17 C27 H32 106.9 4_575 4_575 4_575 no H17 C27 H19 63.2 3_686 3_686 3_686 no H17 C27 H20 142.9 3_686 3_686 3_686 no H17 C27 H24 51.1 3_686 3_686 3_686 no H17 C27 H25 65.4 3_686 3_686 3_686 no H17 C27 H26 136.9 3_686 3_686 3_686 no H17 C27 H27 114.0 3_686 3_686 3_686 no H17 C27 H27 120.0 3_686 3_686 3_686 no H17 C27 H28 87.3 3_686 3_686 3_686 no H17 C27 H32 159.2 3_686 3_686 3_686 no H19 C27 H20 119.1 . . . no H19 C27 H24 60.8 . . . no H19 C27 H25 127.9 . . . no H19 C27 H26 78.3 . . . no H19 C27 H27 51.6 . . . no H19 C27 H27 174.0 . . . no H19 C27 H28 115.3 . . . no H19 C27 H32 112.3 . . . no H20 C27 H24 95.6 4_575 4_575 4_575 no H20 C27 H25 106.7 4_575 4_575 4_575 no H20 C27 H26 72.4 4_575 4_575 4_575 no H20 C27 H27 73.5 4_575 4_575 4_575 no H20 C27 H27 62.0 4_575 4_575 4_575 no H20 C27 H28 118.2 4_575 4_575 4_575 no H20 C27 H32 57.8 4_575 4_575 4_575 no H24 C27 H25 93.0 . . . no H24 C27 H26 124.8 . . . no H24 C27 H27 86.4 . . . no H24 C27 H27 125.2 . . . no H24 C27 H28 136.7 . . . no H24 C27 H32 147.0 . . . no H25 C27 H26 142.2 . . . no H25 C27 H27 179.3 . . . no H25 C27 H27 54.6 . . . no H25 C27 H28 53.6 . . . no H25 C27 H32 112.3 . . . no H26 C27 H27 38.4 . . . no H26 C27 H27 96.9 . . . no H26 C27 H28 92.5 . . . no H26 C27 H32 34.1 . . . no H27 C27 H27 125.9 . . . no H27 C27 H28 126.9 . . . no H27 C27 H32 68.3 . . . no H27 C27 H28 61.0 4_575 4_575 4_575 no H27 C27 H32 62.8 4_575 4_575 4_575 no H28 C27 H32 76.3 . . . no C23 C28 C25 77.2(5) 4_575 4_575 4_575 ? C23 C28 C26 72.3(5) 4_575 4_575 4_575 ? C23 C28 C27 72.4(8) 4_575 4_575 4_575 ? C23 C28 C29 93.8(9) 4_575 4_575 4_575 ? C23 C28 C30 84.4(5) 4_575 4_575 4_575 ? C23 C28 C31 101.3(9) 4_575 4_575 4_575 ? C23 C28 C32 109.6(5) 4_575 4_575 4_575 ? C23 C28 C33 106.5(4) 4_575 4_575 4_575 ? C23 C28 C35 93.1(4) 4_575 4_575 4_575 ? C23 C28 C36 88.6(5) 4_575 4_575 4_575 ? C23 C28 H14 139.8 4_575 4_575 4_575 no C23 C28 H15 169.9 4_575 4_575 4_575 no C23 C28 H19 110.7 4_575 4_575 4_575 no C23 C28 H20 5.5 4_575 4_575 4_575 no C23 C28 H24 71.2 4_575 4_575 4_575 no C23 C28 H25 76.6 4_575 4_575 4_575 no C23 C28 H26 100.9 4_575 4_575 4_575 no C23 C28 H27 87.3 4_575 4_575 4_575 no C23 C28 H27 56.4 4_575 4_575 4_575 no C23 C28 H28 113.4 4_575 4_575 4_575 no C23 C28 H32 78.5 4_575 4_575 4_575 no C25 C28 C26 30.6(4) . . . ? C25 C28 C27 59.8(9) . . . ? C25 C28 C29 58.5(9) . . . ? C25 C28 C30 30.0(4) . . . ? C25 C28 C31 177.7(14) . . . ? C25 C28 C32 152.9(9) . . . ? C25 C28 C33 161.6(8) . . . ? C25 C28 C35 160.8(7) . . . ? C25 C28 C36 150.2(9) . . . ? C25 C28 H14 67.1 . . . no C25 C28 H15 100.3 . . . no C25 C28 H19 34.6 . . . no C25 C28 H20 74.5 . . . no C25 C28 H24 38.8 . . . no C25 C28 H25 84.7 . . . no C25 C28 H26 86.1 . . . no C25 C28 H27 40.0 . . . no C25 C28 H27 124.2 . . . no C25 C28 H28 128.7 . . . no C25 C28 H32 126.8 . . . no C26 C28 C27 29.3(8) . . . ? C26 C28 C29 89.0(11) . . . ? C26 C28 C30 60.6(6) . . . ? C26 C28 C31 150.7(15) . . . ? C26 C28 C32 124.6(10) . . . ? C26 C28 C33 132.3(8) . . . ? C26 C28 C35 159.6(7) . . . ? C26 C28 C36 160.3(7) . . . ? C26 C28 H14 67.5 . . . no C26 C28 H15 110.5 . . . no C26 C28 H19 44.5 . . . no C26 C28 H20 72.6 . . . no C26 C28 H24 8.3 . . . no C26 C28 H25 54.2 . . . no C26 C28 H26 116.7 . . . no C26 C28 H27 70.6 . . . no C26 C28 H27 100.6 . . . no C26 C28 H28 101.8 . . . no C26 C28 H32 146.6 . . . no C27 C28 C29 118.3(15) . . . ? C27 C28 C30 89.8(11) . . . ? C27 C28 C31 121.5(17) . . . ? C27 C28 C32 96.3(12) . . . ? C27 C28 C33 103.5(11) . . . ? C27 C28 C35 133.3(11) . . . ? C27 C28 C36 140.0(11) . . . ? C27 C28 H14 74.0 . . . no C27 C28 H15 115.1 . . . no C27 C28 H19 65.1 . . . no C27 C28 H20 75.3 . . . no C27 C28 H24 21.0 . . . no C27 C28 H25 24.9 . . . no C27 C28 H26 146.0 . . . no C27 C28 H27 99.8 . . . no C27 C28 H27 76.7 . . . no C27 C28 H28 75.4 . . . no C27 C28 H32 147.6 . . . no C29 C28 C30 28.5(8) . . . ? C29 C28 C31 120.2(17) . . . ? C29 C28 C32 143.1(13) . . . ? C29 C28 C33 137.5(12) . . . ? C29 C28 C35 106.5(11) . . . ? C29 C28 C36 97.2(11) . . . ? C29 C28 H14 83.2 . . . no C29 C28 H15 76.8 . . . no C29 C28 H19 65.2 . . . no C29 C28 H20 88.3 . . . no C29 C28 H24 97.3 . . . no C29 C28 H25 143.2 . . . no C29 C28 H26 27.7 . . . no C29 C28 H27 18.5 . . . no C29 C28 H27 142.7 . . . no C29 C28 H28 152.6 . . . no C29 C28 H32 76.9 . . . no C30 C28 C31 148.6(15) . . . ? C30 C28 C32 165.9(7) . . . ? C30 C28 C33 164.8(8) . . . ? C30 C28 C35 133.8(8) . . . ? C30 C28 C36 123.7(9) . . . ? C30 C28 H14 74.1 . . . no C30 C28 H15 88.7 . . . no C30 C28 H19 45.7 . . . no C30 C28 H20 79.7 . . . no C30 C28 H24 68.8 . . . no C30 C28 H25 114.7 . . . no C30 C28 H26 56.1 . . . no C30 C28 H27 10.0 . . . no C30 C28 H27 140.7 . . . no C30 C28 H28 151.1 . . . no C30 C28 H32 101.3 . . . no C31 C28 C32 29.3(10) . . . ? C31 C28 C33 20.5(11) . . . ? C31 C28 C35 17.0(11) . . . ? C31 C28 C36 27.6(10) . . . ? C31 C28 H14 114.9 . . . no C31 C28 H15 80.9 . . . no C31 C28 H19 147.3 . . . no C31 C28 H20 103.8 . . . no C31 C28 H24 142.4 . . . no C31 C28 H25 96.6 . . . no C31 C28 H26 92.5 . . . no C31 C28 H27 138.6 . . . no C31 C28 H27 55.4 . . . no C31 C28 H28 53.5 . . . no C31 C28 H32 51.0 . . . no C32 C28 C33 8.8(5) . . . ? C32 C28 C35 46.2(6) . . . ? C32 C28 C36 56.8(7) . . . ? C32 C28 H14 95.4 . . . no C32 C28 H15 77.2 . . . no C32 C28 H19 126.6 . . . no C32 C28 H20 114.1 . . . no C32 C28 H24 116.8 . . . no C32 C28 H25 72.0 . . . no C32 C28 H26 117.0 . . . no C32 C28 H27 159.6 . . . no C32 C28 H27 53.4 . . . no C32 C28 H28 24.2 . . . no C32 C28 H32 80.2 . . . no C33 C28 C35 37.3(4) . . . ? C33 C28 C36 48.0(6) . . . ? C33 C28 H14 102.2 . . . no C33 C28 H15 79.0 . . . no C33 C28 H19 134.2 . . . no C33 C28 H20 110.6 . . . no C33 C28 H24 124.3 . . . no C33 C28 H25 78.7 . . . no C33 C28 H26 110.4 . . . no C33 C28 H27 155.6 . . . no C33 C28 H27 51.8 . . . no C33 C28 H28 33.0 . . . no C33 C28 H32 71.4 . . . no C35 C28 C36 10.6(5) . . . ? C35 C28 H14 126.3 . . . no C35 C28 H15 86.3 . . . no C35 C28 H19 154.8 . . . no C35 C28 H20 94.3 . . . no C35 C28 H24 152.4 . . . no C35 C28 H25 109.4 . . . no C35 C28 H26 79.4 . . . no C35 C28 H27 124.2 . . . no C35 C28 H27 59.1 . . . no C35 C28 H28 70.4 . . . no C35 C28 H32 34.0 . . . no C36 C28 H14 131.6 . . . no C36 C28 H15 89.1 . . . no C36 C28 H19 153.9 . . . no C36 C28 H20 88.9 . . . no C36 C28 H24 155.8 . . . no C36 C28 H25 117.6 . . . no C36 C28 H26 70.8 . . . no C36 C28 H27 114.4 . . . no C36 C28 H27 63.6 . . . no C36 C28 H28 81.0 . . . no C36 C28 H32 23.4 . . . no H14 C28 H15 43.6 4_475 4_475 4_475 no H14 C28 H19 32.8 4_475 4_475 4_475 no H14 C28 H20 139.3 4_475 4_475 4_475 no H14 C28 H24 69.4 4_475 4_475 4_475 no H14 C28 H25 82.1 4_475 4_475 4_475 no H14 C28 H26 94.7 4_475 4_475 4_475 no H14 C28 H27 77.3 4_475 4_475 4_475 no H14 C28 H27 133.8 4_475 4_475 4_475 no H14 C28 H28 78.0 4_475 4_475 4_475 no H14 C28 H32 138.3 4_475 4_475 4_475 no H15 C28 H19 68.7 4_475 4_475 4_475 no H15 C28 H20 164.6 4_475 4_475 4_475 no H15 C28 H24 113.0 4_475 4_475 4_475 no H15 C28 H25 113.1 4_475 4_475 4_475 no H15 C28 H26 69.1 4_475 4_475 4_475 no H15 C28 H27 84.7 4_475 4_475 4_475 no H15 C28 H27 130.5 4_475 4_475 4_475 no H15 C28 H28 75.9 4_475 4_475 4_475 no H15 C28 H32 95.7 4_475 4_475 4_475 no H19 C28 H20 108.7 . . . no H19 C28 H24 50.1 . . . no H19 C28 H25 84.8 . . . no H19 C28 H26 87.9 . . . no H19 C28 H27 52.1 . . . no H19 C28 H27 141.7 . . . no H19 C28 H28 105.5 . . . no H19 C28 H32 141.3 . . . no H20 C28 H24 72.3 4_575 4_575 4_575 no H20 C28 H25 81.3 4_575 4_575 4_575 no H20 C28 H26 95.9 4_575 4_575 4_575 no H20 C28 H27 82.2 4_575 4_575 4_575 no H20 C28 H27 61.2 4_575 4_575 4_575 no H20 C28 H28 118.8 4_575 4_575 4_575 no H20 C28 H32 76.9 4_575 4_575 4_575 no H24 C28 H25 45.9 . . . no H24 C28 H26 124.9 . . . no H24 C28 H27 78.8 . . . no H24 C28 H27 93.5 . . . no H24 C28 H28 94.6 . . . no H24 C28 H32 148.8 . . . no H25 C28 H26 170.9 . . . no H25 C28 H27 124.7 . . . no H25 C28 H27 57.8 . . . no H25 C28 H28 53.2 . . . no H25 C28 H32 133.3 . . . no H26 C28 H27 46.1 . . . no H26 C28 H27 128.2 . . . no H26 C28 H28 134.7 . . . no H26 C28 H32 53.5 . . . no H27 C28 H27 143.1 . . . no H27 C28 H28 155.2 . . . no H27 C28 H32 92.6 . . . no H27 C28 H28 60.4 4_575 4_575 4_575 no H27 C28 H32 75.5 4_575 4_575 4_575 no H28 C28 H32 104.4 . . . no N3 C29 C16 81.9(4) . . . ? N3 C29 C17 100.9(5) . . . ? N3 C29 C25 10.3(5) . . . ? N3 C29 C26 41.1(5) . . . ? N3 C29 C27 70.5(5) . . . ? N3 C29 C28 101.7(10) . . . ? N3 C29 C30 20.1(9) . . . ? N3 C29 C31 132.4(7) . . . ? N3 C29 C32 123.5(5) . . . ? N3 C29 C35 106.4(4) . . . ? N3 C29 C36 150.9(5) . . . ? N3 C29 H6 159.4 . . . no N3 C29 H14 73.4 . . . no N3 C29 H15 113.9 . . . no N3 C29 H19 40.2 . . . no N3 C29 H20 78.7 . . . no N3 C29 H23 61.8 . . . no N3 C29 H24 40.1 . . . no N3 C29 H25 79.1 . . . no N3 C29 H26 141.9 . . . no N3 C29 H27 47.6 . . . no N3 C29 H28 108.8 . . . no N3 C29 H32 149.0 . . . no C16 C29 C17 20.2(3) 4_475 4_475 4_475 ? C16 C29 C25 79.2(5) 4_475 4_475 4_475 ? C16 C29 C26 77.1(5) 4_475 4_475 4_475 ? C16 C29 C27 78.4(5) 4_475 4_475 4_475 ? C16 C29 C28 82.8(9) 4_475 4_475 4_475 ? C16 C29 C30 85.8(9) 4_475 4_475 4_475 ? C16 C29 C31 90.5(6) 4_475 4_475 4_475 ? C16 C29 C32 78.8(4) 4_475 4_475 4_475 ? C16 C29 C35 68.9(4) 4_475 4_475 4_475 ? C16 C29 C36 109.4(6) 4_475 4_475 4_475 ? C16 C29 H6 87.0 4_475 4_475 4_475 no C16 C29 H14 14.8 4_475 4_475 4_475 no C16 C29 H15 32.0 4_475 4_475 4_475 no C16 C29 H19 41.7 4_475 4_475 4_475 no C16 C29 H20 137.7 4_475 4_475 4_475 no C16 C29 H23 134.4 4_475 4_475 4_475 no C16 C29 H24 77.7 4_475 4_475 4_475 no C16 C29 H25 79.1 4_475 4_475 4_475 no C16 C29 H26 104.1 4_475 4_475 4_475 no C16 C29 H27 91.9 4_475 4_475 4_475 no C16 C29 H28 68.3 4_475 4_475 4_475 no C16 C29 H32 126.3 4_475 4_475 4_475 no C17 C29 C25 99.1(6) 4_475 4_475 4_475 ? C17 C29 C26 96.0(6) 4_475 4_475 4_475 ? C17 C29 C27 91.4(6) 4_475 4_475 4_475 ? C17 C29 C28 85.9(9) 4_475 4_475 4_475 ? C17 C29 C30 101.1(9) 4_475 4_475 4_475 ? C17 C29 C31 83.0(6) 4_475 4_475 4_475 ? C17 C29 C32 73.9(4) 4_475 4_475 4_475 ? C17 C29 C35 56.4(4) 4_475 4_475 4_475 ? C17 C29 C36 95.4(5) 4_475 4_475 4_475 ? C17 C29 H6 66.8 4_475 4_475 4_475 no C17 C29 H14 33.6 4_475 4_475 4_475 no C17 C29 H15 14.1 4_475 4_475 4_475 no C17 C29 H19 60.9 4_475 4_475 4_475 no C17 C29 H20 149.9 4_475 4_475 4_475 no C17 C29 H23 142.4 4_475 4_475 4_475 no C17 C29 H24 96.7 4_475 4_475 4_475 no C17 C29 H25 89.6 4_475 4_475 4_475 no C17 C29 H26 84.8 4_475 4_475 4_475 no C17 C29 H27 99.5 4_475 4_475 4_475 no C17 C29 H28 68.5 4_475 4_475 4_475 no C17 C29 H32 109.0 4_475 4_475 4_475 no C25 C29 C26 30.8(4) . . . ? C25 C29 C27 60.3(6) . . . ? C25 C29 C28 91.4(11) . . . ? C25 C29 C30 30.4(8) . . . ? C25 C29 C31 122.2(9) . . . ? C25 C29 C32 113.2(7) . . . ? C25 C29 C35 114.0(6) . . . ? C25 C29 C36 142.7(8) . . . ? C25 C29 H6 164.4 . . . no C25 C29 H14 68.7 . . . no C25 C29 H15 111.0 . . . no C25 C29 H19 38.7 . . . no C25 C29 H20 75.1 . . . no C25 C29 H23 69.2 . . . no C25 C29 H24 29.8 . . . no C25 C29 H25 68.8 . . . no C25 C29 H26 152.2 . . . no C25 C29 H27 57.8 . . . no C25 C29 H28 98.7 . . . no C25 C29 H32 146.5 . . . no C26 C29 C27 29.5(4) . . . ? C26 C29 C28 60.6(9) . . . ? C26 C29 C30 61.2(9) . . . ? C26 C29 C31 91.4(8) . . . ? C26 C29 C32 82.8(6) . . . ? C26 C29 C35 136.6(6) . . . ? C26 C29 C36 113.7(7) . . . ? C26 C29 H6 151.3 . . . no C26 C29 H14 62.6 . . . no C26 C29 H15 102.2 . . . no C26 C29 H19 50.1 . . . no C26 C29 H20 63.7 . . . no C26 C29 H23 90.4 . . . no C26 C29 H24 1.2 . . . no C26 C29 H25 38.0 . . . no C26 C29 H26 176.7 . . . no C26 C29 H27 88.6 . . . no C26 C29 H28 69.2 . . . no C26 C29 H32 125.3 . . . no C27 C29 C28 31.2(8) . . . ? C27 C29 C30 90.6(10) . . . ? C27 C29 C31 61.9(8) . . . ? C27 C29 C32 53.8(6) . . . ? C27 C29 C35 147.2(6) . . . ? C27 C29 C36 85.3(7) . . . ? C27 C29 H6 124.2 . . . no C27 C29 H14 64.3 . . . no C27 C29 H15 90.8 . . . no C27 C29 H19 70.2 . . . no C27 C29 H20 59.8 . . . no C27 C29 H23 110.8 . . . no C27 C29 H24 30.5 . . . no C27 C29 H25 8.5 . . . no C27 C29 H26 147.4 . . . no C27 C29 H27 118.1 . . . no C27 C29 H28 41.7 . . . no C27 C29 H32 100.3 . . . no C28 C29 C30 121.8(15) . . . ? C28 C29 C31 30.8(9) . . . ? C28 C29 C32 23.7(9) . . . ? C28 C29 C35 136.2(10) . . . ? C28 C29 C36 55.5(9) . . . ? C28 C29 H6 94.1 . . . no C28 C29 H14 73.4 . . . no C28 C29 H15 78.4 . . . no C28 C29 H19 94.1 . . . no C28 C29 H20 65.1 . . . no C28 C29 H23 128.5 . . . no C28 C29 H24 61.6 . . . no C28 C29 H25 22.7 . . . no C28 C29 H26 116.3 . . . no C28 C29 H27 149.3 . . . no C28 C29 H28 18.0 . . . no C28 C29 H32 73.2 . . . no C30 C29 C31 152.5(13) . . . ? C30 C29 C32 143.2(12) . . . ? C30 C29 C35 89.7(10) . . . ? C30 C29 C36 163.0(10) . . . ? C30 C29 H6 142.0 . . . no C30 C29 H14 81.8 . . . no C30 C29 H15 115.3 . . . no C30 C29 H19 46.8 . . . no C30 C29 H20 88.6 . . . no C30 C29 H23 50.8 . . . no C30 C29 H24 60.2 . . . no C30 C29 H25 99.2 . . . no C30 C29 H26 121.8 . . . no C30 C29 H27 27.5 . . . no C30 C29 H28 128.0 . . . no C30 C29 H32 147.5 . . . no C31 C29 C32 13.3(6) . . . ? C31 C29 C35 114.4(6) . . . ? C31 C29 C36 26.9(4) . . . ? C31 C29 H6 64.7 . . . no C31 C29 H14 87.7 . . . no C31 C29 H15 70.4 . . . no C31 C29 H19 118.2 . . . no C31 C29 H20 76.0 . . . no C31 C29 H23 134.0 . . . no C31 C29 H24 92.4 . . . no C31 C29 H25 53.4 . . . no C31 C29 H26 85.5 . . . no C31 C29 H27 177.5 . . . no C31 C29 H28 28.8 . . . no C31 C29 H32 47.2 . . . no C32 C29 C35 114.7(5) . . . ? C32 C29 C36 39.8(5) . . . ? C32 C29 H6 70.6 . . . no C32 C29 H14 74.8 . . . no C32 C29 H15 62.7 . . . no C32 C29 H19 104.9 . . . no C32 C29 H20 81.3 . . . no C32 C29 H23 143.7 . . . no C32 C29 H24 83.9 . . . no C32 C29 H25 45.4 . . . no C32 C29 H26 94.4 . . . no C32 C29 H27 168.5 . . . no C32 C29 H28 15.9 . . . no C32 C29 H32 60.3 . . . no C35 C29 C36 102.7(5) 4_475 4_475 4_475 ? C35 C29 H6 53.2 4_475 4_475 4_475 no C35 C29 H14 83.2 4_475 4_475 4_475 no C35 C29 H15 59.8 4_475 4_475 4_475 no C35 C29 H19 86.6 4_475 4_475 4_475 no C35 C29 H20 153.0 4_475 4_475 4_475 no C35 C29 H23 94.6 4_475 4_475 4_475 no C35 C29 H24 136.5 4_475 4_475 4_475 no C35 C29 H25 146.0 4_475 4_475 4_475 no C35 C29 H26 46.3 4_475 4_475 4_475 no C35 C29 H27 67.0 4_475 4_475 4_475 no C35 C29 H28 118.6 4_475 4_475 4_475 no C35 C29 H32 96.9 4_475 4_475 4_475 no C36 C29 H6 49.6 . . . no C36 C29 H14 111.0 . . . no C36 C29 H15 81.3 . . . no C36 C29 H19 144.3 . . . no C36 C29 H20 75.1 . . . no C36 C29 H23 115.7 . . . no C36 C29 H24 114.5 . . . no C36 C29 H25 77.2 . . . no C36 C29 H26 63.0 . . . no C36 C29 H27 151.6 . . . no C36 C29 H28 55.7 . . . no C36 C29 H32 20.7 . . . no H6 C29 H14 98.9 3_675 3_675 3_675 no H6 C29 H15 56.2 3_675 3_675 3_675 no H6 C29 H19 126.2 3_675 3_675 3_675 no H6 C29 H20 120.4 3_675 3_675 3_675 no H6 C29 H23 117.4 3_675 3_675 3_675 no H6 C29 H24 152.4 3_675 3_675 3_675 no H6 C29 H25 115.9 3_675 3_675 3_675 no H6 C29 H26 26.9 3_675 3_675 3_675 no H6 C29 H27 116.0 3_675 3_675 3_675 no H6 C29 H28 82.8 3_675 3_675 3_675 no H6 C29 H32 49.0 3_675 3_675 3_675 no H14 C29 H15 42.7 4_475 4_475 4_475 no H14 C29 H19 35.1 4_475 4_475 4_475 no H14 C29 H20 123.1 4_475 4_475 4_475 no H14 C29 H23 132.6 4_475 4_475 4_475 no H14 C29 H24 63.3 4_475 4_475 4_475 no H14 C29 H25 65.9 4_475 4_475 4_475 no H14 C29 H26 118.3 4_475 4_475 4_475 no H14 C29 H27 94.5 4_475 4_475 4_475 no H14 C29 H28 61.6 4_475 4_475 4_475 no H14 C29 H32 130.6 4_475 4_475 4_475 no H15 C29 H19 73.7 4_475 4_475 4_475 no H15 C29 H20 143.2 4_475 4_475 4_475 no H15 C29 H23 152.8 4_475 4_475 4_475 no H15 C29 H24 103.1 4_475 4_475 4_475 no H15 C29 H25 87.1 4_475 4_475 4_475 no H15 C29 H26 77.9 4_475 4_475 4_475 no H15 C29 H27 112.0 4_475 4_475 4_475 no H15 C29 H28 60.3 4_475 4_475 4_475 no H15 C29 H32 95.3 4_475 4_475 4_475 no H19 C29 H20 111.2 . . . no H19 C29 H23 97.5 . . . no H19 C29 H24 50.0 . . . no H19 C29 H25 76.4 . . . no H19 C29 H26 132.7 . . . no H19 C29 H27 63.6 . . . no H19 C29 H28 89.5 . . . no H19 C29 H32 164.9 . . . no H20 C29 H23 63.9 4_575 4_575 4_575 no H20 C29 H24 63.4 4_575 4_575 4_575 no H20 C29 H25 60.6 4_575 4_575 4_575 no H20 C29 H26 114.3 4_575 4_575 4_575 no H20 C29 H27 101.8 4_575 4_575 4_575 no H20 C29 H28 83.0 4_575 4_575 4_575 no H20 C29 H32 71.4 4_575 4_575 4_575 no H23 C29 H24 89.3 3_676 3_676 3_676 no H23 C29 H25 116.4 3_676 3_676 3_676 no H23 C29 H26 90.9 3_676 3_676 3_676 no H23 C29 H27 43.6 3_676 3_676 3_676 no H23 C29 H28 146.5 3_676 3_676 3_676 no H23 C29 H32 96.8 3_676 3_676 3_676 no H24 C29 H25 39.0 . . . no H24 C29 H26 177.2 . . . no H24 C29 H27 87.6 . . . no H24 C29 H28 70.3 . . . no H24 C29 H32 125.7 . . . no H25 C29 H26 138.9 . . . no H25 C29 H27 126.6 . . . no H25 C29 H28 34.0 . . . no H25 C29 H32 93.0 . . . no H26 C29 H27 94.4 . . . no H26 C29 H28 108.2 . . . no H26 C29 H32 51.5 . . . no H27 C29 H28 152.7 . . . no H27 C29 H32 131.2 . . . no H28 C29 H32 76.0 . . . no O2 C30 N3 42.4(4) . . . ? O2 C30 C19 21.0(3) . . . ? O2 C30 C20 63.1(5) . . . ? O2 C30 C23 88.3(5) . . . ? O2 C30 C24 59.0(4) . . . ? O2 C30 C25 49.8(8) . . . ? O2 C30 C26 66.0(6) . . . ? O2 C30 C27 86.4(5) . . . ? O2 C30 C28 108.7(6) . . . ? O2 C30 C29 127.7(9) . . . ? O2 C30 C31 115.9(4) . . . ? O2 C30 C31 120.8(5) . . . ? O2 C30 C32 111.8(5) . . . ? O2 C30 C36 140.7(5) . . . ? O2 C30 H14 123.5 . . . no O2 C30 H19 96.8 . . . no O2 C30 H20 97.4 . . . no O2 C30 H20 59.8 . . . no O2 C30 H21 74.0 . . . no O2 C30 H23 55.7 . . . no O2 C30 H24 59.0 . . . no O2 C30 H25 86.2 . . . no O2 C30 H26 136.2 . . . no O2 C30 H27 94.5 . . . no O2 C30 H32 112.8 . . . no N3 C30 C19 22.4(4) . . . ? N3 C30 C20 21.4(4) . . . ? N3 C30 C23 45.9(5) . . . ? N3 C30 C24 90.3(6) . . . ? N3 C30 C25 28.9(8) . . . ? N3 C30 C26 59.5(7) . . . ? N3 C30 C27 88.7(7) . . . ? N3 C30 C28 119.5(8) . . . ? N3 C30 C29 149.2(13) . . . ? N3 C30 C31 131.3(6) . . . ? N3 C30 C31 100.5(5) . . . ? N3 C30 C32 106.2(5) . . . ? N3 C30 C36 113.3(5) . . . ? N3 C30 H14 89.0 . . . no N3 C30 H19 55.7 . . . no N3 C30 H20 56.8 . . . no N3 C30 H20 94.9 . . . no N3 C30 H21 100.8 . . . no N3 C30 H23 89.2 . . . no N3 C30 H24 49.5 . . . no N3 C30 H25 88.4 . . . no N3 C30 H26 175.0 . . . no N3 C30 H27 93.0 . . . no N3 C30 H32 149.9 . . . no C19 C30 C20 42.3(5) . . . ? C19 C30 C23 67.8(6) . . . ? C19 C30 C24 70.5(5) . . . ? C19 C30 C25 39.7(9) . . . ? C19 C30 C26 65.3(7) . . . ? C19 C30 C27 92.0(7) . . . ? C19 C30 C28 120.2(8) . . . ? C19 C30 C29 145.5(10) . . . ? C19 C30 C31 130.0(6) . . . ? C19 C30 C31 108.1(6) . . . ? C19 C30 C32 105.9(5) . . . ? C19 C30 C36 125.7(6) . . . ? C19 C30 H14 109.9 . . . no C19 C30 H19 78.0 . . . no C19 C30 H20 76.4 . . . no C19 C30 H20 79.1 . . . no C19 C30 H21 83.3 . . . no C19 C30 H23 68.6 . . . no C19 C30 H24 56.0 . . . no C19 C30 H25 91.7 . . . no C19 C30 H26 157.0 . . . no C19 C30 H27 89.4 . . . no C19 C30 H32 133.5 . . . no C20 C30 C23 25.7(3) . . . ? C20 C30 C24 101.9(5) . . . ? C20 C30 C25 40.0(8) . . . ? C20 C30 C26 68.4(6) . . . ? C20 C30 C27 96.1(7) . . . ? C20 C30 C28 124.8(8) . . . ? C20 C30 C29 149.8(12) . . . ? C20 C30 C31 135.9(6) . . . ? C20 C30 C31 83.7(5) . . . ? C20 C30 C32 94.5(5) . . . ? C20 C30 C36 93.4(5) . . . ? C20 C30 H14 75.4 . . . no C20 C30 H19 38.9 . . . no C20 C30 H20 35.5 . . . no C20 C30 H20 115.4 . . . no C20 C30 H21 108.1 . . . no C20 C30 H23 102.5 . . . no C20 C30 H24 59.4 . . . no C20 C30 H25 95.8 . . . no C20 C30 H26 160.7 . . . no C20 C30 H27 85.7 . . . no C20 C30 H32 166.0 . . . no C23 C30 C24 122.9(6) . . . ? C23 C30 C25 52.9(8) . . . ? C23 C30 C26 72.2(6) . . . ? C23 C30 C27 92.9(6) . . . ? C23 C30 C28 113.7(7) . . . ? C23 C30 C29 129.0(11) . . . ? C23 C30 C31 121.7(6) . . . ? C23 C30 C31 73.3(4) . . . ? C23 C30 C32 90.2(4) . . . ? C23 C30 C36 75.8(4) . . . ? C23 C30 H14 52.9 . . . no C23 C30 H19 16.7 . . . no C23 C30 H20 17.9 . . . no C23 C30 H20 132.2 . . . no C23 C30 H21 124.0 . . . no C23 C30 H23 124.9 . . . no C23 C30 H24 66.3 . . . no C23 C30 H25 92.6 . . . no C23 C30 H26 135.2 . . . no C23 C30 H27 88.7 . . . no C23 C30 H32 151.0 . . . no C24 C30 C25 108.4(10) 3_676 3_676 3_676 ? C24 C30 C26 121.1(6) 3_676 3_676 3_676 ? C24 C30 C27 125.9(5) 3_676 3_676 3_676 ? C24 C30 C28 120.3(6) 3_676 3_676 3_676 ? C24 C30 C29 107.3(11) 3_676 3_676 3_676 ? C24 C30 C31 114.7(5) 3_676 3_676 3_676 ? C24 C30 C31 84.9(5) 3_676 3_676 3_676 ? C24 C30 C32 65.9(4) 3_676 3_676 3_676 ? C24 C30 C36 100.1(5) 3_676 3_676 3_676 ? C24 C30 H14 173.3 3_676 3_676 3_676 no C24 C30 H19 139.4 3_676 3_676 3_676 no C24 C30 H20 115.4 3_676 3_676 3_676 no C24 C30 H20 72.5 3_676 3_676 3_676 no C24 C30 H21 15.6 3_676 3_676 3_676 no C24 C30 H23 5.3 3_676 3_676 3_676 no C24 C30 H24 116.6 3_676 3_676 3_676 no C24 C30 H25 126.0 3_676 3_676 3_676 no C24 C30 H26 91.9 3_676 3_676 3_676 no C24 C30 H27 53.6 3_676 3_676 3_676 no C24 C30 H32 85.8 3_676 3_676 3_676 no C25 C30 C26 30.7(8) . . . ? C25 C30 C27 59.9(9) . . . ? C25 C30 C28 90.7(10) . . . ? C25 C30 C29 120.4(15) . . . ? C25 C30 C31 102.6(10) . . . ? C25 C30 C31 123.2(10) . . . ? C25 C30 C32 133.8(11) . . . ? C25 C30 C36 128.6(9) . . . ? C25 C30 H14 73.7 . . . no C25 C30 H19 52.6 . . . no C25 C30 H20 69.8 . . . no C25 C30 H20 79.5 . . . no C25 C30 H21 122.4 . . . no C25 C30 H23 105.4 . . . no C25 C30 H24 20.8 . . . no C25 C30 H25 59.6 . . . no C25 C30 H26 146.3 . . . no C25 C30 H27 121.8 . . . no C25 C30 H32 126.5 . . . no C26 C30 C27 29.3(4) . . . ? C26 C30 C28 60.0(5) . . . ? C26 C30 C29 89.7(10) . . . ? C26 C30 C31 71.9(6) . . . ? C26 C30 C31 144.5(7) . . . ? C26 C30 C32 162.2(8) . . . ? C26 C30 C36 137.1(6) . . . ? C26 C30 H14 64.0 . . . no C26 C30 H19 63.4 . . . no C26 C30 H20 90.0 . . . no C26 C30 H20 62.8 . . . no C26 C30 H21 136.5 . . . no C26 C30 H23 116.3 . . . no C26 C30 H24 10.0 . . . no C26 C30 H25 29.0 . . . no C26 C30 H26 115.7 . . . no C26 C30 H27 152.4 . . . no C26 C30 H32 97.6 . . . no C27 C30 C28 30.8(4) . . . ? C27 C30 C29 60.5(9) . . . ? C27 C30 C31 42.6(5) . . . ? C27 C30 C31 148.1(6) . . . ? C27 C30 C32 161.6(7) . . . ? C27 C30 C36 129.4(6) . . . ? C27 C30 H14 60.8 . . . no C27 C30 H19 79.2 . . . no C27 C30 H20 108.7 . . . no C27 C30 H20 53.7 . . . no C27 C30 H21 136.6 . . . no C27 C30 H23 120.7 . . . no C27 C30 H24 39.3 . . . no C27 C30 H25 0.3 . . . no C27 C30 H26 86.4 . . . no C27 C30 H27 178.2 . . . no C27 C30 H32 69.9 . . . no C28 C30 C29 29.7(8) . . . ? C28 C30 C31 11.9(6) . . . ? C28 C30 C31 130.4(8) . . . ? C28 C30 C32 133.1(8) . . . ? C28 C30 C36 110.7(7) . . . ? C28 C30 H14 65.6 . . . no C28 C30 H19 97.3 . . . no C28 C30 H20 124.2 . . . no C28 C30 H20 55.8 . . . no C28 C30 H21 122.3 . . . no C28 C30 H23 116.6 . . . no C28 C30 H24 70.0 . . . no C28 C30 H25 31.1 . . . no C28 C30 H26 55.6 . . . no C28 C30 H27 147.5 . . . no C28 C30 H32 42.1 . . . no C29 C30 C31 17.9(9) . . . ? C29 C30 C31 106.0(11) . . . ? C29 C30 C32 104.0(11) . . . ? C29 C30 C36 88.8(10) . . . ? C29 C30 H14 76.3 . . . no C29 C30 H19 113.1 . . . no C29 C30 H20 129.7 . . . no C29 C30 H20 67.9 . . . no C29 C30 H21 102.1 . . . no C29 C30 H23 106.0 . . . no C29 C30 H24 99.7 . . . no C29 C30 H25 60.8 . . . no C29 C30 H26 25.9 . . . no C29 C30 H27 117.8 . . . no C29 C30 H32 21.9 . . . no C31 C30 C31 121.8(6) . . . ? C31 C30 C32 121.9(5) . . . ? C31 C30 C36 103.0(5) . . . ? C31 C30 H14 70.4 . . . no C31 C30 H19 105.0 . . . no C31 C30 H20 129.0 . . . no C31 C30 H20 58.6 . . . no C31 C30 H21 113.8 . . . no C31 C30 H23 111.8 . . . no C31 C30 H24 81.9 . . . no C31 C30 H25 42.9 . . . no C31 C30 H26 43.8 . . . no C31 C30 H27 135.7 . . . no C31 C30 H32 31.7 . . . no C31 C30 C32 20.2(3) 4_475 4_475 4_475 ? C31 C30 C36 20.1(3) 4_475 4_475 4_475 ? C31 C30 H14 88.7 4_475 4_475 4_475 no C31 C30 H19 81.1 4_475 4_475 4_475 no C31 C30 H20 55.4 4_475 4_475 4_475 no C31 C30 H20 152.6 4_475 4_475 4_475 no C31 C30 H21 71.9 4_475 4_475 4_475 no C31 C30 H23 90.1 4_475 4_475 4_475 no C31 C30 H24 139.5 4_475 4_475 4_475 no C31 C30 H25 148.1 4_475 4_475 4_475 no C31 C30 H26 84.2 4_475 4_475 4_475 no C31 C30 H27 31.9 4_475 4_475 4_475 no C31 C30 H32 108.9 4_475 4_475 4_475 no C32 C30 C36 34.7(4) 4_475 4_475 4_475 ? C32 C30 H14 107.9 4_475 4_475 4_475 no C32 C30 H19 100.2 4_475 4_475 4_475 no C32 C30 H20 72.5 4_475 4_475 4_475 no C32 C30 H20 132.8 4_475 4_475 4_475 no C32 C30 H21 52.1 4_475 4_475 4_475 no C32 C30 H23 71.1 4_475 4_475 4_475 no C32 C30 H24 154.0 4_475 4_475 4_475 no C32 C30 H25 161.9 4_475 4_475 4_475 no C32 C30 H26 78.7 4_475 4_475 4_475 no C32 C30 H27 17.3 4_475 4_475 4_475 no C32 C30 H32 99.3 4_475 4_475 4_475 no C36 C30 H14 74.1 4_475 4_475 4_475 no C36 C30 H19 77.9 4_475 4_475 4_475 no C36 C30 H20 59.5 4_475 4_475 4_475 no C36 C30 H20 151.0 4_475 4_475 4_475 no C36 C30 H21 85.4 4_475 4_475 4_475 no C36 C30 H23 105.2 4_475 4_475 4_475 no C36 C30 H24 137.2 4_475 4_475 4_475 no C36 C30 H25 129.5 4_475 4_475 4_475 no C36 C30 H26 70.7 4_475 4_475 4_475 no C36 C30 H27 50.2 4_475 4_475 4_475 no C36 C30 H32 96.8 4_475 4_475 4_475 no H14 C30 H19 36.9 4_475 4_475 4_475 no H14 C30 H20 58.9 4_475 4_475 4_475 no H14 C30 H20 114.2 4_475 4_475 4_475 no H14 C30 H21 159.4 4_475 4_475 4_475 no H14 C30 H23 177.7 4_475 4_475 4_475 no H14 C30 H24 67.6 4_475 4_475 4_475 no H14 C30 H25 60.7 4_475 4_475 4_475 no H14 C30 H26 89.3 4_475 4_475 4_475 no H14 C30 H27 119.8 4_475 4_475 4_475 no H14 C30 H32 98.1 4_475 4_475 4_475 no H19 C30 H20 29.6 . . . no H19 C30 H20 126.2 . . . no H19 C30 H21 140.3 . . . no H19 C30 H23 140.9 . . . no H19 C30 H24 60.0 . . . no H19 C30 H25 78.9 . . . no H19 C30 H26 123.9 . . . no H19 C30 H27 102.3 . . . no H19 C30 H32 134.8 . . . no H20 C30 H20 149.3 . . . no H20 C30 H21 111.9 . . . no H20 C30 H23 118.8 . . . no H20 C30 H24 84.2 . . . no H20 C30 H25 108.5 . . . no H20 C30 H26 125.8 . . . no H20 C30 H27 72.7 . . . no H20 C30 H32 149.4 . . . no H20 C30 H21 83.1 4_575 4_575 4_575 no H20 C30 H23 67.4 4_575 4_575 4_575 no H20 C30 H24 66.7 4_575 4_575 4_575 no H20 C30 H25 53.9 4_575 4_575 4_575 no H20 C30 H26 81.5 4_575 4_575 4_575 no H20 C30 H27 125.5 4_575 4_575 4_575 no H20 C30 H32 55.4 4_575 4_575 4_575 no H21 C30 H23 20.2 3_676 3_676 3_676 no H21 C30 H24 132.2 3_676 3_676 3_676 no H21 C30 H25 136.8 3_676 3_676 3_676 no H21 C30 H26 82.2 3_676 3_676 3_676 no H21 C30 H27 42.5 3_676 3_676 3_676 no H21 C30 H32 82.4 3_676 3_676 3_676 no H23 C30 H24 112.3 3_676 3_676 3_676 no H23 C30 H25 120.8 3_676 3_676 3_676 no H23 C30 H26 92.5 3_676 3_676 3_676 no H23 C30 H27 58.8 3_676 3_676 3_676 no H23 C30 H32 84.1 3_676 3_676 3_676 no H24 C30 H25 38.9 . . . no H24 C30 H26 125.6 . . . no H24 C30 H27 142.4 . . . no H24 C30 H32 106.7 . . . no H25 C30 H26 86.7 . . . no H25 C30 H27 178.5 . . . no H25 C30 H32 70.3 . . . no H26 C30 H27 91.9 . . . no H26 C30 H32 26.2 . . . no H27 C30 H32 108.3 . . . no C26 C31 C27 10.5(4) . . . ? C26 C31 C28 18.3(9) . . . ? C26 C31 C29 47.3(5) . . . ? C26 C31 C30 37.7(4) . . . ? C26 C31 C30 89.9(5) . . . ? C26 C31 C32 104.3(13) . . . ? C26 C31 C33 131.2(9) . . . ? C26 C31 C34 158.6(8) . . . ? C26 C31 C35 161.5(9) . . . ? C26 C31 C36 135.3(14) . . . ? C26 C31 H6 123.0 . . . no C26 C31 H7 118.7 . . . no C26 C31 H9 106.3 . . . no C26 C31 H15 82.0 . . . no C26 C31 H20 50.8 . . . no C26 C31 H25 33.5 . . . no C26 C31 H26 71.8 . . . no C26 C31 H27 87.0 . . . no C26 C31 H28 78.4 . . . no C26 C31 H29 123.5 . . . no C26 C31 H30 159.6 . . . no C26 C31 H31 154.0 . . . no C26 C31 H32 109.5 . . . no C27 C31 C28 28.7(9) . . . ? C27 C31 C29 57.7(7) . . . ? C27 C31 C30 48.2(5) . . . ? C27 C31 C30 83.9(5) . . . ? C27 C31 C32 94.8(14) . . . ? C27 C31 C33 121.2(10) . . . ? C27 C31 C34 148.2(9) . . . ? C27 C31 C35 160.8(8) . . . ? C27 C31 C36 141.8(15) . . . ? C27 C31 H6 132.6 . . . no C27 C31 H7 124.6 . . . no C27 C31 H9 104.2 . . . no C27 C31 H15 86.3 . . . no C27 C31 H20 53.2 . . . no C27 C31 H25 23.0 . . . no C27 C31 H26 82.3 . . . no C27 C31 H27 79.6 . . . no C27 C31 H28 69.6 . . . no C27 C31 H29 113.6 . . . no C27 C31 H30 149.1 . . . no C27 C31 H31 157.6 . . . no C27 C31 H32 117.6 . . . no C28 C31 C29 29.0(9) . . . ? C28 C31 C30 19.6(10) . . . ? C28 C31 C30 101.8(9) . . . ? C28 C31 C32 119.4(19) . . . ? C28 C31 C33 147.4(17) . . . ? C28 C31 C34 176.9(15) . . . ? C28 C31 C35 152.8(17) . . . ? C28 C31 C36 122.9(19) . . . ? C28 C31 H6 105.3 . . . no C28 C31 H7 105.6 . . . no C28 C31 H9 106.8 . . . no C28 C31 H15 73.4 . . . no C28 C31 H20 52.0 . . . no C28 C31 H25 51.7 . . . no C28 C31 H26 53.6 . . . no C28 C31 H27 101.3 . . . no C28 C31 H28 93.0 . . . no C28 C31 H29 139.4 . . . no C28 C31 H30 177.7 . . . no C28 C31 H31 142.8 . . . no C28 C31 H32 96.0 . . . no C29 C31 C30 9.6(5) . . . ? C29 C31 C30 116.7(7) . . . ? C29 C31 C32 142.3(15) . . . ? C29 C31 C33 165.2(9) . . . ? C29 C31 C34 154.1(10) . . . ? C29 C31 C35 127.1(11) . . . ? C29 C31 C36 98.6(13) . . . ? C29 C31 H6 77.8 . . . no C29 C31 H7 85.1 . . . no C29 C31 H9 106.4 . . . no C29 C31 H15 65.3 . . . no C29 C31 H20 60.2 . . . no C29 C31 H25 80.8 . . . no C29 C31 H26 24.6 . . . no C29 C31 H27 120.8 . . . no C29 C31 H28 117.1 . . . no C29 C31 H29 159.9 . . . no C29 C31 H30 153.0 . . . no C29 C31 H31 117.3 . . . no C29 C31 H32 72.7 . . . no C30 C31 C30 111.3(6) . . . ? C30 C31 C32 136.2(14) . . . ? C30 C31 C33 163.2(10) . . . ? C30 C31 C34 163.5(9) . . . ? C30 C31 C35 135.4(10) . . . ? C30 C31 C36 106.1(13) . . . ? C30 C31 H6 87.2 . . . no C30 C31 H7 92.7 . . . no C30 C31 H9 108.1 . . . no C30 C31 H15 68.4 . . . no C30 C31 H20 55.4 . . . no C30 C31 H25 71.2 . . . no C30 C31 H26 34.1 . . . no C30 C31 H27 113.9 . . . no C30 C31 H28 110.0 . . . no C30 C31 H29 155.7 . . . no C30 C31 H30 162.4 . . . no C30 C31 H31 125.4 . . . no C30 C31 H32 79.6 . . . no C30 C31 C32 81.2(9) 4_575 4_575 4_575 ? C30 C31 C33 76.7(5) 4_575 4_575 4_575 ? C30 C31 C34 76.1(5) 4_575 4_575 4_575 ? C30 C31 C35 77.7(5) 4_575 4_575 4_575 ? C30 C31 C36 81.7(9) 4_575 4_575 4_575 ? C30 C31 H6 134.9 4_575 4_575 4_575 no C30 C31 H7 151.4 4_575 4_575 4_575 no C30 C31 H9 132.5 4_575 4_575 4_575 no C30 C31 H15 166.0 4_575 4_575 4_575 no C30 C31 H20 56.5 4_575 4_575 4_575 no C30 C31 H25 71.1 4_575 4_575 4_575 no C30 C31 H26 125.1 4_575 4_575 4_575 no C30 C31 H27 10.8 4_575 4_575 4_575 no C30 C31 H28 86.8 4_575 4_575 4_575 no C30 C31 H29 77.6 4_575 4_575 4_575 no C30 C31 H30 76.1 4_575 4_575 4_575 no C30 C31 H31 79.8 4_575 4_575 4_575 no C30 C31 H32 87.3 4_575 4_575 4_575 no C32 C31 C33 28.0(9) . . . ? C32 C31 C34 58.1(11) . . . ? C32 C31 C35 87.6(12) . . . ? C32 C31 C36 117.4(17) . . . ? C32 C31 H6 114.2 . . . no C32 C31 H7 92.4 . . . no C32 C31 H9 51.8 . . . no C32 C31 H15 89.7 . . . no C32 C31 H20 126.4 . . . no C32 C31 H25 74.2 . . . no C32 C31 H26 152.6 . . . no C32 C31 H27 71.9 . . . no C32 C31 H28 26.5 . . . no C32 C31 H29 20.0 . . . no C32 C31 H30 59.3 . . . no C32 C31 H31 97.7 . . . no C32 C31 H32 144.2 . . . no C33 C31 C34 30.1(5) . . . ? C33 C31 C35 59.6(7) . . . ? C33 C31 C36 89.4(12) . . . ? C33 C31 H6 97.5 . . . no C33 C31 H7 84.6 . . . no C33 C31 H9 58.9 . . . no C33 C31 H15 100.2 . . . no C33 C31 H20 132.8 . . . no C33 C31 H25 98.9 . . . no C33 C31 H26 151.6 . . . no C33 C31 H27 71.2 . . . no C33 C31 H28 54.5 . . . no C33 C31 H29 8.1 . . . no C33 C31 H30 31.3 . . . no C33 C31 H31 69.6 . . . no C33 C31 H32 116.2 . . . no C34 C31 C35 29.5(5) . . . ? C34 C31 C36 59.4(10) . . . ? C34 C31 H6 77.7 . . . no C34 C31 H7 76.8 . . . no C34 C31 H9 73.4 . . . no C34 C31 H15 108.1 . . . no C34 C31 H20 127.2 . . . no C34 C31 H25 125.2 . . . no C34 C31 H26 129.5 . . . no C34 C31 H27 76.2 . . . no C34 C31 H28 84.6 . . . no C34 C31 H29 38.1 . . . no C34 C31 H30 1.2 . . . no C34 C31 H31 39.6 . . . no C34 C31 H32 86.3 . . . no C35 C31 C36 29.9(9) . . . ? C35 C31 H6 61.8 . . . no C35 C31 H7 74.2 . . . no C35 C31 H9 92.2 . . . no C35 C31 H15 112.8 . . . no C35 C31 H20 110.7 . . . no C35 C31 H25 145.7 . . . no C35 C31 H26 104.0 . . . no C35 C31 H27 83.2 . . . no C35 C31 H28 114.1 . . . no C35 C31 H29 67.6 . . . no C35 C31 H30 28.3 . . . no C35 C31 H31 10.1 . . . no C35 C31 H32 56.7 . . . no C36 C31 H6 53.3 . . . no C36 C31 H7 76.6 . . . no C36 C31 H9 111.6 . . . no C36 C31 H15 112.0 . . . no C36 C31 H20 89.7 . . . no C36 C31 H25 148.7 . . . no C36 C31 H26 77.6 . . . no C36 C31 H27 91.1 . . . no C36 C31 H28 143.8 . . . no C36 C31 H29 97.5 . . . no C36 C31 H30 58.2 . . . no C36 C31 H31 19.9 . . . no C36 C31 H32 26.9 . . . no H6 C31 H7 27.0 3_675 3_675 3_675 no H6 C31 H9 71.5 3_675 3_675 3_675 no H6 C31 H15 58.8 3_675 3_675 3_675 no H6 C31 H20 119.0 3_675 3_675 3_675 no H6 C31 H25 152.3 3_675 3_675 3_675 no H6 C31 H26 54.5 3_675 3_675 3_675 no H6 C31 H27 143.4 3_675 3_675 3_675 no H6 C31 H28 126.4 3_675 3_675 3_675 no H6 C31 H29 102.6 3_675 3_675 3_675 no H6 C31 H30 77.0 3_675 3_675 3_675 no H6 C31 H31 56.9 3_675 3_675 3_675 no H6 C31 H32 54.7 3_675 3_675 3_675 no H7 C31 H9 44.9 3_675 3_675 3_675 no H7 C31 H15 38.8 3_675 3_675 3_675 no H7 C31 H20 140.5 3_675 3_675 3_675 no H7 C31 H25 134.1 3_675 3_675 3_675 no H7 C31 H26 67.9 3_675 3_675 3_675 no H7 C31 H27 153.0 3_675 3_675 3_675 no H7 C31 H28 99.9 3_675 3_675 3_675 no H7 C31 H29 86.9 3_675 3_675 3_675 no H7 C31 H30 76.6 3_675 3_675 3_675 no H7 C31 H31 73.4 3_675 3_675 3_675 no H7 C31 H32 81.7 3_675 3_675 3_675 no H9 C31 H15 41.4 1_565 1_565 1_565 no H9 C31 H20 157.1 1_565 1_565 1_565 no H9 C31 H25 98.4 1_565 1_565 1_565 no H9 C31 H26 102.4 1_565 1_565 1_565 no H9 C31 H27 123.7 1_565 1_565 1_565 no H9 C31 H28 55.0 1_565 1_565 1_565 no H9 C31 H29 56.0 1_565 1_565 1_565 no H9 C31 H30 74.2 1_565 1_565 1_565 no H9 C31 H31 98.1 1_565 1_565 1_565 no H9 C31 H32 125.5 1_565 1_565 1_565 no H15 C31 H20 123.6 4_475 4_475 4_475 no H15 C31 H25 96.3 4_475 4_475 4_475 no H15 C31 H26 63.0 4_475 4_475 4_475 no H15 C31 H27 155.6 4_475 4_475 4_475 no H15 C31 H28 80.4 4_475 4_475 4_475 no H15 C31 H29 97.4 4_475 4_475 4_475 no H15 C31 H30 108.4 4_475 4_475 4_475 no H15 C31 H31 112.1 4_475 4_475 4_475 no H15 C31 H32 106.1 4_475 4_475 4_475 no H20 C31 H25 62.5 4_575 4_575 4_575 no H20 C31 H26 73.1 4_575 4_575 4_575 no H20 C31 H27 61.6 4_575 4_575 4_575 no H20 C31 H28 112.0 4_575 4_575 4_575 no H20 C31 H29 132.0 4_575 4_575 4_575 no H20 C31 H30 126.7 4_575 4_575 4_575 no H20 C31 H31 104.6 4_575 4_575 4_575 no H20 C31 H32 70.9 4_575 4_575 4_575 no H25 C31 H26 105.4 . . . no H25 C31 H27 63.8 . . . no H25 C31 H28 51.4 . . . no H25 C31 H29 91.7 . . . no H25 C31 H30 126.2 . . . no H25 C31 H31 150.6 . . . no H25 C31 H32 133.3 . . . no H26 C31 H27 133.3 . . . no H26 C31 H28 135.1 . . . no H26 C31 H29 154.8 . . . no H26 C31 H30 128.5 . . . no H26 C31 H31 94.6 . . . no H26 C31 H32 54.6 . . . no H27 C31 H28 76.0 4_575 4_575 4_575 no H27 C31 H29 70.8 4_575 4_575 4_575 no H27 C31 H30 76.5 4_575 4_575 4_575 no H27 C31 H31 86.8 4_575 4_575 4_575 no H27 C31 H32 98.1 4_575 4_575 4_575 no H28 C31 H29 46.5 . . . no H28 C31 H30 85.8 . . . no H28 C31 H31 124.2 . . . no H28 C31 H32 170.1 . . . no H29 C31 H30 39.4 . . . no H29 C31 H31 77.7 . . . no H29 C31 H32 124.3 . . . no H30 C31 H31 38.3 . . . no H30 C31 H32 85.0 . . . no H31 C31 H32 46.7 . . . no C14 C32 C15 20.4(3) 1_565 1_565 1_565 ? C14 C32 C27 107.2(6) 1_565 1_565 1_565 ? C14 C32 C28 123.1(7) 1_565 1_565 1_565 ? C14 C32 C29 123.9(5) 1_565 1_565 1_565 ? C14 C32 C30 131.5(6) 1_565 1_565 1_565 ? C14 C32 C31 145.9(11) 1_565 1_565 1_565 ? C14 C32 C33 79.1(12) 1_565 1_565 1_565 ? C14 C32 C34 107.6(9) 1_565 1_565 1_565 ? C14 C32 C35 133.6(8) 1_565 1_565 1_565 ? C14 C32 C36 153.1(7) 1_565 1_565 1_565 ? C14 C32 H9 44.8 1_565 1_565 1_565 no C14 C32 H12 17.0 1_565 1_565 1_565 no C14 C32 H15 79.1 1_565 1_565 1_565 no C14 C32 H21 67.5 1_565 1_565 1_565 no C14 C32 H25 96.6 1_565 1_565 1_565 no C14 C32 H26 128.1 1_565 1_565 1_565 no C14 C32 H27 126.8 1_565 1_565 1_565 no C14 C32 H28 46.5 1_565 1_565 1_565 no C14 C32 H29 58.8 1_565 1_565 1_565 no C14 C32 H30 100.6 1_565 1_565 1_565 no C14 C32 H31 133.8 1_565 1_565 1_565 no C14 C32 H32 155.3 1_565 1_565 1_565 no C15 C32 C27 101.6(6) 1_565 1_565 1_565 ? C15 C32 C28 125.2(7) 1_565 1_565 1_565 ? C15 C32 C29 131.4(5) 1_565 1_565 1_565 ? C15 C32 C30 111.4(5) 1_565 1_565 1_565 ? C15 C32 C31 155.7(13) 1_565 1_565 1_565 ? C15 C32 C33 79.2(12) 1_565 1_565 1_565 ? C15 C32 C34 111.4(9) 1_565 1_565 1_565 ? C15 C32 C35 141.3(9) 1_565 1_565 1_565 ? C15 C32 C36 170.8(9) 1_565 1_565 1_565 ? C15 C32 H9 65.2 1_565 1_565 1_565 no C15 C32 H12 32.7 1_565 1_565 1_565 no C15 C32 H15 96.4 1_565 1_565 1_565 no C15 C32 H21 48.3 1_565 1_565 1_565 no C15 C32 H25 85.5 1_565 1_565 1_565 no C15 C32 H26 141.5 1_565 1_565 1_565 no C15 C32 H27 106.5 1_565 1_565 1_565 no C15 C32 H28 38.1 1_565 1_565 1_565 no C15 C32 H29 56.0 1_565 1_565 1_565 no C15 C32 H30 103.5 1_565 1_565 1_565 no C15 C32 H31 141.8 1_565 1_565 1_565 no C15 C32 H32 175.3 1_565 1_565 1_565 no C27 C32 C28 28.3(4) . . . ? C27 C32 C29 40.9(4) . . . ? C27 C32 C30 78.1(5) . . . ? C27 C32 C31 57.6(11) . . . ? C27 C32 C33 164.2(11) . . . ? C27 C32 C34 145.1(10) . . . ? C27 C32 C35 116.8(9) . . . ? C27 C32 C36 87.1(9) . . . ? C27 C32 H9 111.5 . . . no C27 C32 H12 94.9 . . . no C27 C32 H15 75.3 . . . no C27 C32 H21 100.7 . . . no C27 C32 H25 21.4 . . . no C27 C32 H26 57.1 . . . no C27 C32 H27 74.8 . . . no C27 C32 H28 63.7 . . . no C27 C32 H29 151.5 . . . no C27 C32 H30 152.0 . . . no C27 C32 H31 116.3 . . . no C27 C32 H32 77.7 . . . no C28 C32 C29 13.1(5) . . . ? C28 C32 C30 84.7(5) . . . ? C28 C32 C31 31.3(11) . . . ? C28 C32 C33 155.6(15) . . . ? C28 C32 C34 123.1(11) . . . ? C28 C32 C35 93.1(10) . . . ? C28 C32 C36 62.4(9) . . . ? C28 C32 H9 104.9 . . . no C28 C32 H12 106.8 . . . no C28 C32 H15 61.1 . . . no C28 C32 H21 127.3 . . . no C28 C32 H25 49.5 . . . no C28 C32 H26 28.9 . . . no C28 C32 H27 84.3 . . . no C28 C32 H28 87.8 . . . no C28 C32 H29 177.9 . . . no C28 C32 H30 131.1 . . . no C28 C32 H31 92.5 . . . no C28 C32 H32 52.8 . . . no C29 C32 C30 92.2(5) . . . ? C29 C32 C31 24.4(10) . . . ? C29 C32 C33 146.3(13) . . . ? C29 C32 C34 114.4(9) . . . ? C29 C32 C35 84.9(7) . . . ? C29 C32 C36 54.8(7) . . . ? C29 C32 H9 96.7 . . . no C29 C32 H12 106.8 . . . no C29 C32 H15 52.5 . . . no C29 C32 H21 140.4 . . . no C29 C32 H25 62.3 . . . no C29 C32 H26 16.3 . . . no C29 C32 H27 93.0 . . . no C29 C32 H28 96.2 . . . no C29 C32 H29 167.5 . . . no C29 C32 H30 122.2 . . . no C29 C32 H31 84.2 . . . no C29 C32 H32 45.6 . . . no C30 C32 C31 78.6(9) 4_575 4_575 4_575 ? C30 C32 C33 86.9(9) 4_575 4_575 4_575 ? C30 C32 C34 79.7(5) 4_575 4_575 4_575 ? C30 C32 C35 74.1(5) 4_575 4_575 4_575 ? C30 C32 C36 72.9(5) 4_575 4_575 4_575 ? C30 C32 H9 170.1 4_575 4_575 4_575 no C30 C32 H12 141.9 4_575 4_575 4_575 no C30 C32 H15 144.7 4_575 4_575 4_575 no C30 C32 H21 64.2 4_575 4_575 4_575 no C30 C32 H25 70.8 4_575 4_575 4_575 no C30 C32 H26 96.0 4_575 4_575 4_575 no C30 C32 H27 6.3 4_575 4_575 4_575 no C30 C32 H28 104.7 4_575 4_575 4_575 no C30 C32 H29 93.3 4_575 4_575 4_575 no C30 C32 H30 81.4 4_575 4_575 4_575 no C30 C32 H31 74.4 4_575 4_575 4_575 no C30 C32 H32 73.1 4_575 4_575 4_575 no C31 C32 C33 124.4(18) . . . ? C31 C32 C34 91.9(13) . . . ? C31 C32 C35 61.9(11) . . . ? C31 C32 C36 31.2(9) . . . ? C31 C32 H9 108.3 . . . no C31 C32 H12 129.1 . . . no C31 C32 H15 67.7 . . . no C31 C32 H21 140.7 . . . no C31 C32 H25 76.8 . . . no C31 C32 H26 18.0 . . . no C31 C32 H27 81.5 . . . no C31 C32 H28 119.0 . . . no C31 C32 H29 147.7 . . . no C31 C32 H30 99.9 . . . no C31 C32 H31 61.3 . . . no C31 C32 H32 21.7 . . . no C33 C32 C34 32.5(9) . . . ? C33 C32 C35 62.5(10) . . . ? C33 C32 C36 93.2(12) . . . ? C33 C32 H9 83.4 . . . no C33 C32 H12 93.9 . . . no C33 C32 H15 120.5 . . . no C33 C32 H21 67.8 . . . no C33 C32 H25 146.1 . . . no C33 C32 H26 130.5 . . . no C33 C32 H27 89.7 . . . no C33 C32 H28 116.6 . . . no C33 C32 H29 23.4 . . . no C33 C32 H30 24.5 . . . no C33 C32 H31 63.1 . . . no C33 C32 H32 102.8 . . . no C34 C32 C35 30.0(5) . . . ? C34 C32 C36 60.7(7) . . . ? C34 C32 H9 92.8 . . . no C34 C32 H12 118.9 . . . no C34 C32 H15 110.7 . . . no C34 C32 H21 93.2 . . . no C34 C32 H25 149.9 . . . no C34 C32 H26 99.4 . . . no C34 C32 H27 85.1 . . . no C34 C32 H28 149.1 . . . no C34 C32 H29 55.9 . . . no C34 C32 H30 8.0 . . . no C34 C32 H31 30.6 . . . no C34 C32 H32 70.3 . . . no C35 C32 C36 30.7(5) . . . ? C35 C32 H9 102.6 . . . no C35 C32 H12 138.8 . . . no C35 C32 H15 97.9 . . . no C35 C32 H21 115.2 . . . no C35 C32 H25 129.8 . . . no C35 C32 H26 70.9 . . . no C35 C32 H27 80.4 . . . no C35 C32 H28 178.4 . . . no C35 C32 H29 85.9 . . . no C35 C32 H30 38.0 . . . no C35 C32 H31 0.7 . . . no C35 C32 H32 40.3 . . . no C36 C32 H9 109.1 . . . no C36 C32 H12 144.8 . . . no C36 C32 H15 83.0 . . . no C36 C32 H21 133.3 . . . no C36 C32 H25 103.6 . . . no C36 C32 H26 42.5 . . . no C36 C32 H27 78.3 . . . no C36 C32 H28 150.1 . . . no C36 C32 H29 116.5 . . . no C36 C32 H30 68.7 . . . no C36 C32 H31 30.1 . . . no C36 C32 H32 9.6 . . . no H9 C32 H12 38.0 1_565 1_565 1_565 no H9 C32 H15 44.3 1_565 1_565 1_565 no H9 C32 H21 110.3 1_565 1_565 1_565 no H9 C32 H25 117.2 1_565 1_565 1_565 no H9 C32 H26 91.5 1_565 1_565 1_565 no H9 C32 H27 170.0 1_565 1_565 1_565 no H9 C32 H28 78.5 1_565 1_565 1_565 no H9 C32 H29 77.1 1_565 1_565 1_565 no H9 C32 H30 90.3 1_565 1_565 1_565 no H9 C32 H31 102.3 1_565 1_565 1_565 no H9 C32 H32 110.6 1_565 1_565 1_565 no H12 C32 H15 63.8 1_565 1_565 1_565 no H12 C32 H21 80.9 1_565 1_565 1_565 no H12 C32 H25 89.0 1_565 1_565 1_565 no H12 C32 H26 111.6 1_565 1_565 1_565 no H12 C32 H27 136.1 1_565 1_565 1_565 no H12 C32 H28 42.0 1_565 1_565 1_565 no H12 C32 H29 75.1 1_565 1_565 1_565 no H12 C32 H30 112.9 1_565 1_565 1_565 no H12 C32 H31 138.7 1_565 1_565 1_565 no H12 C32 H32 142.6 1_565 1_565 1_565 no H15 C32 H21 143.7 4_475 4_475 4_475 no H15 C32 H25 91.0 4_475 4_475 4_475 no H15 C32 H26 49.8 4_475 4_475 4_475 no H15 C32 H27 145.3 4_475 4_475 4_475 no H15 C32 H28 83.7 4_475 4_475 4_475 no H15 C32 H29 120.8 4_475 4_475 4_475 no H15 C32 H30 113.7 4_475 4_475 4_475 no H15 C32 H31 97.2 4_475 4_475 4_475 no H15 C32 H32 78.9 4_475 4_475 4_475 no H21 C32 H25 79.4 2_656 2_656 2_656 no H21 C32 H26 154.2 2_656 2_656 2_656 no H21 C32 H27 60.2 2_656 2_656 2_656 no H21 C32 H28 63.2 2_656 2_656 2_656 no H21 C32 H29 51.8 2_656 2_656 2_656 no H21 C32 H30 87.0 2_656 2_656 2_656 no H21 C32 H31 115.9 2_656 2_656 2_656 no H21 C32 H32 136.4 2_656 2_656 2_656 no H25 C32 H26 78.4 . . . no H25 C32 H27 65.8 . . . no H25 C32 H28 50.1 . . . no H25 C32 H29 130.2 . . . no H25 C32 H30 152.1 . . . no H25 C32 H31 129.6 . . . no H25 C32 H32 94.9 . . . no H26 C32 H27 98.4 . . . no H26 C32 H28 110.3 . . . no H26 C32 H29 151.4 . . . no H26 C32 H30 107.0 . . . no H26 C32 H31 70.2 . . . no H26 C32 H32 34.5 . . . no H27 C32 H28 98.4 4_575 4_575 4_575 no H27 C32 H29 93.7 4_575 4_575 4_575 no H27 C32 H30 86.3 4_575 4_575 4_575 no H27 C32 H31 80.8 4_575 4_575 4_575 no H27 C32 H32 77.9 4_575 4_575 4_575 no H28 C32 H29 93.2 . . . no H28 C32 H30 141.1 . . . no H28 C32 H31 179.1 . . . no H28 C32 H32 140.5 . . . no H29 C32 H30 47.9 . . . no H29 C32 H31 86.5 . . . no H29 C32 H32 126.1 . . . no H30 C32 H31 38.6 . . . no H30 C32 H32 78.3 . . . no H31 C32 H32 39.7 . . . no C9 C33 C13 37.3(4) 1_565 1_565 1_565 ? C9 C33 C14 45.5(4) 1_565 1_565 1_565 ? C9 C33 C15 65.9(5) 1_565 1_565 1_565 ? C9 C33 C28 91.4(4) 1_565 1_565 1_565 ? C9 C33 C31 94.0(6) 1_565 1_565 1_565 ? C9 C33 C32 85.6(9) 1_565 1_565 1_565 ? C9 C33 C34 106.0(10) 1_565 1_565 1_565 ? C9 C33 C35 107.2(6) 1_565 1_565 1_565 ? C9 C33 C36 103.0(5) 1_565 1_565 1_565 ? C9 C33 H2 54.2 1_565 1_565 1_565 no C9 C33 H9 13.7 1_565 1_565 1_565 no C9 C33 H12 41.1 1_565 1_565 1_565 no C9 C33 H21 115.2 1_565 1_565 1_565 no C9 C33 H23 138.8 1_565 1_565 1_565 no C9 C33 H26 166.3 1_565 1_565 1_565 no C9 C33 H27 149.5 1_565 1_565 1_565 no C9 C33 H28 78.8 1_565 1_565 1_565 no C9 C33 H29 78.9 1_565 1_565 1_565 no C9 C33 H30 103.1 1_565 1_565 1_565 no C9 C33 H31 107.4 1_565 1_565 1_565 no C9 C33 H32 103.5 1_565 1_565 1_565 no C13 C33 C14 21.9(3) 1_565 1_565 1_565 ? C13 C33 C15 35.6(4) 1_565 1_565 1_565 ? C13 C33 C28 111.0(5) 1_565 1_565 1_565 ? C13 C33 C31 119.3(8) 1_565 1_565 1_565 ? C13 C33 C32 98.1(11) 1_565 1_565 1_565 ? C13 C33 C34 129.8(12) 1_565 1_565 1_565 ? C13 C33 C35 142.8(6) 1_565 1_565 1_565 ? C13 C33 C36 138.3(6) 1_565 1_565 1_565 ? C13 C33 H2 58.5 1_565 1_565 1_565 no C13 C33 H9 43.3 1_565 1_565 1_565 no C13 C33 H12 33.2 1_565 1_565 1_565 no C13 C33 H21 80.5 1_565 1_565 1_565 no C13 C33 H23 106.3 1_565 1_565 1_565 no C13 C33 H26 149.3 1_565 1_565 1_565 no C13 C33 H27 136.3 1_565 1_565 1_565 no C13 C33 H28 76.7 1_565 1_565 1_565 no C13 C33 H29 44.2 1_565 1_565 1_565 no C13 C33 H30 112.7 1_565 1_565 1_565 no C13 C33 H31 140.1 1_565 1_565 1_565 no C13 C33 H32 138.7 1_565 1_565 1_565 no C14 C33 C15 20.5(3) 1_565 1_565 1_565 ? C14 C33 C28 93.0(5) 1_565 1_565 1_565 ? C14 C33 C31 103.3(8) 1_565 1_565 1_565 ? C14 C33 C32 78.6(11) 1_565 1_565 1_565 ? C14 C33 C34 149.5(12) 1_565 1_565 1_565 ? C14 C33 C35 149.3(7) 1_565 1_565 1_565 ? C14 C33 C36 129.1(8) 1_565 1_565 1_565 ? C14 C33 H2 80.1 1_565 1_565 1_565 no C14 C33 H9 44.1 1_565 1_565 1_565 no C14 C33 H12 16.0 1_565 1_565 1_565 no C14 C33 H21 70.1 1_565 1_565 1_565 no C14 C33 H23 93.4 1_565 1_565 1_565 no C14 C33 H26 146.9 1_565 1_565 1_565 no C14 C33 H27 117.2 1_565 1_565 1_565 no C14 C33 H28 55.3 1_565 1_565 1_565 no C14 C33 H29 53.8 1_565 1_565 1_565 no C14 C33 H30 134.6 1_565 1_565 1_565 no C14 C33 H31 152.2 1_565 1_565 1_565 no C14 C33 H32 129.2 1_565 1_565 1_565 no C15 C33 C28 95.9(5) 1_565 1_565 1_565 ? C15 C33 C31 107.7(9) 1_565 1_565 1_565 ? C15 C33 C32 80.3(12) 1_565 1_565 1_565 ? C15 C33 C34 163.3(14) 1_565 1_565 1_565 ? C15 C33 C35 165.4(9) 1_565 1_565 1_565 ? C15 C33 C36 136.9(8) 1_565 1_565 1_565 ? C15 C33 H2 91.7 1_565 1_565 1_565 no C15 C33 H9 64.2 1_565 1_565 1_565 no C15 C33 H12 31.8 1_565 1_565 1_565 no C15 C33 H21 49.6 1_565 1_565 1_565 no C15 C33 H23 73.3 1_565 1_565 1_565 no C15 C33 H26 126.4 1_565 1_565 1_565 no C15 C33 H27 100.7 1_565 1_565 1_565 no C15 C33 H28 53.3 1_565 1_565 1_565 no C15 C33 H29 45.9 1_565 1_565 1_565 no C15 C33 H30 139.4 1_565 1_565 1_565 no C15 C33 H31 172.1 1_565 1_565 1_565 no C15 C33 H32 136.6 1_565 1_565 1_565 no C28 C33 C31 12.1(6) . . . ? C28 C33 C32 15.6(10) . . . ? C28 C33 C34 99.0(12) . . . ? C28 C33 C35 70.9(7) . . . ? C28 C33 C36 41.3(6) . . . ? C28 C33 H2 137.5 . . . no C28 C33 H9 78.2 . . . no C28 C33 H12 78.4 . . . no C28 C33 H21 99.0 . . . no C28 C33 H23 86.6 . . . no C28 C33 H26 92.9 . . . no C28 C33 H27 61.7 . . . no C28 C33 H28 42.8 . . . no C28 C33 H29 141.3 . . . no C28 C33 H30 124.2 . . . no C28 C33 H31 79.8 . . . no C28 C33 H32 41.0 . . . no C31 C33 C32 27.6(9) . . . ? C31 C33 C34 87.0(12) . . . ? C31 C33 C35 58.9(7) . . . ? C31 C33 C36 29.4(4) . . . ? C31 C33 H2 132.2 . . . no C31 C33 H9 81.9 . . . no C31 C33 H12 88.0 . . . no C31 C33 H21 108.3 . . . no C31 C33 H23 92.4 . . . no C31 C33 H26 87.7 . . . no C31 C33 H27 62.9 . . . no C31 C33 H28 54.8 . . . no C31 C33 H29 153.3 . . . no C31 C33 H30 112.2 . . . no C31 C33 H31 67.8 . . . no C31 C33 H32 29.0 . . . no C32 C33 C34 114.6(17) . . . ? C32 C33 C35 86.5(12) . . . ? C32 C33 C36 56.9(10) . . . ? C32 C33 H2 138.2 . . . no C32 C33 H9 71.9 . . . no C32 C33 H12 64.9 . . . no C32 C33 H21 88.4 . . . no C32 C33 H23 81.6 . . . no C32 C33 H26 101.7 . . . no C32 C33 H27 64.7 . . . no C32 C33 H28 27.2 . . . no C32 C33 H29 125.7 . . . no C32 C33 H30 139.7 . . . no C32 C33 H31 95.4 . . . no C32 C33 H32 56.6 . . . no C34 C33 C35 28.1(9) . . . ? C34 C33 C36 57.7(10) . . . ? C34 C33 H2 72.1 . . . no C34 C33 H9 111.5 . . . no C34 C33 H12 146.1 . . . no C34 C33 H21 134.2 . . . no C34 C33 H23 115.0 . . . no C34 C33 H26 60.5 . . . no C34 C33 H27 93.1 . . . no C34 C33 H28 141.8 . . . no C34 C33 H29 119.7 . . . no C34 C33 H30 25.2 . . . no C34 C33 H31 19.2 . . . no C34 C33 H32 58.1 . . . no C35 C33 C36 29.6(4) . . . ? C35 C33 H2 94.1 . . . no C35 C33 H9 105.8 . . . no C35 C33 H12 135.2 . . . no C35 C33 H21 136.7 . . . no C35 C33 H23 110.9 . . . no C35 C33 H26 62.3 . . . no C35 C33 H27 78.8 . . . no C35 C33 H28 113.7 . . . no C35 C33 H29 147.8 . . . no C35 C33 H30 53.3 . . . no C35 C33 H31 8.9 . . . no C35 C33 H32 30.0 . . . no C36 C33 H2 116.0 . . . no C36 C33 H9 95.1 . . . no C36 C33 H12 113.2 . . . no C36 C33 H21 126.0 . . . no C36 C33 H23 102.4 . . . no C36 C33 H26 72.4 . . . no C36 C33 H27 67.2 . . . no C36 C33 H28 84.1 . . . no C36 C33 H29 177.1 . . . no C36 C33 H30 82.9 . . . no C36 C33 H31 38.5 . . . no C36 C33 H32 0.8 . . . no H2 C33 H9 67.8 4_575 4_575 4_575 no H2 C33 H12 87.0 4_575 4_575 4_575 no H2 C33 H21 117.2 4_575 4_575 4_575 no H2 C33 H23 135.4 4_575 4_575 4_575 no H2 C33 H26 115.5 4_575 4_575 4_575 no H2 C33 H27 156.2 4_575 4_575 4_575 no H2 C33 H28 131.2 4_575 4_575 4_575 no H2 C33 H29 63.3 4_575 4_575 4_575 no H2 C33 H30 55.3 4_575 4_575 4_575 no H2 C33 H31 87.1 4_575 4_575 4_575 no H2 C33 H32 116.7 4_575 4_575 4_575 no H9 C33 H12 34.7 1_565 1_565 1_565 no H9 C33 H21 113.3 1_565 1_565 1_565 no H9 C33 H23 132.7 1_565 1_565 1_565 no H9 C33 H26 167.3 1_565 1_565 1_565 no H9 C33 H27 136.0 1_565 1_565 1_565 no H9 C33 H28 66.5 1_565 1_565 1_565 no H9 C33 H29 87.2 1_565 1_565 1_565 no H9 C33 H30 113.7 1_565 1_565 1_565 no H9 C33 H31 108.2 1_565 1_565 1_565 no H9 C33 H32 95.5 1_565 1_565 1_565 no H12 C33 H21 78.9 1_565 1_565 1_565 no H12 C33 H23 98.7 1_565 1_565 1_565 no H12 C33 H26 152.6 1_565 1_565 1_565 no H12 C33 H27 114.1 1_565 1_565 1_565 no H12 C33 H28 44.9 1_565 1_565 1_565 no H12 C33 H29 69.7 1_565 1_565 1_565 no H12 C33 H30 141.8 1_565 1_565 1_565 no H12 C33 H31 140.3 1_565 1_565 1_565 no H12 C33 H32 113.2 1_565 1_565 1_565 no H21 C33 H23 26.0 2_656 2_656 2_656 no H21 C33 H26 76.8 2_656 2_656 2_656 no H21 C33 H27 60.3 2_656 2_656 2_656 no H21 C33 H28 68.5 2_656 2_656 2_656 no H21 C33 H29 54.3 2_656 2_656 2_656 no H21 C33 H30 120.7 2_656 2_656 2_656 no H21 C33 H31 137.4 2_656 2_656 2_656 no H21 C33 H32 125.2 2_656 2_656 2_656 no H23 C33 H26 54.5 2_656 2_656 2_656 no H23 C33 H27 35.2 2_656 2_656 2_656 no H23 C33 H28 72.1 2_656 2_656 2_656 no H23 C33 H29 77.3 2_656 2_656 2_656 no H23 C33 H30 111.9 2_656 2_656 2_656 no H23 C33 H31 112.7 2_656 2_656 2_656 no H23 C33 H32 101.6 2_656 2_656 2_656 no H26 C33 H27 41.2 4_575 4_575 4_575 no H26 C33 H28 112.9 4_575 4_575 4_575 no H26 C33 H29 105.2 4_575 4_575 4_575 no H26 C33 H30 63.8 4_575 4_575 4_575 no H26 C33 H31 60.8 4_575 4_575 4_575 no H26 C33 H32 72.0 4_575 4_575 4_575 no H27 C33 H28 71.7 4_575 4_575 4_575 no H27 C33 H29 112.2 4_575 4_575 4_575 no H27 C33 H30 104.0 4_575 4_575 4_575 no H27 C33 H31 83.1 4_575 4_575 4_575 no H27 C33 H32 66.5 4_575 4_575 4_575 no H28 C33 H29 98.5 . . . no H28 C33 H30 167.0 . . . no H28 C33 H31 122.6 . . . no H28 C33 H32 83.8 . . . no H29 C33 H30 94.5 . . . no H29 C33 H31 138.9 . . . no H29 C33 H32 177.0 . . . no H30 C33 H31 44.4 . . . no H30 C33 H32 83.3 . . . no H31 C33 H32 38.9 . . . no C5 C34 C31 130.3(6) 4_575 4_575 4_575 ? C5 C34 C32 118.8(8) 4_575 4_575 4_575 ? C5 C34 C33 99.5(12) 4_575 4_575 4_575 ? C5 C34 C35 118.9(12) 4_575 4_575 4_575 ? C5 C34 C36 131.4(6) 4_575 4_575 4_575 ? C5 C34 H2 16.1 4_575 4_575 4_575 no C5 C34 H3 16.3 4_575 4_575 4_575 no C5 C34 H4 15.7 4_575 4_575 4_575 no C5 C34 H5 59.2 4_575 4_575 4_575 no C5 C34 H6 91.0 4_575 4_575 4_575 no C5 C34 H26 137.2 4_575 4_575 4_575 no C5 C34 H27 159.5 4_575 4_575 4_575 no C5 C34 H28 113.5 4_575 4_575 4_575 no C5 C34 H29 82.1 4_575 4_575 4_575 no C5 C34 H30 50.9 4_575 4_575 4_575 no C5 C34 H31 102.7 4_575 4_575 4_575 no C5 C34 H32 129.3 4_575 4_575 4_575 no C31 C34 C32 30.0(5) . . . ? C31 C34 C33 62.9(11) . . . ? C31 C34 C35 60.3(10) . . . ? C31 C34 C36 29.9(5) . . . ? C31 C34 H2 126.7 . . . no C31 C34 H3 141.5 . . . no C31 C34 H4 116.2 . . . no C31 C34 H5 82.5 . . . no C31 C34 H6 132.4 . . . no C31 C34 H26 92.3 . . . no C31 C34 H27 55.5 . . . no C31 C34 H28 39.7 . . . no C31 C34 H29 89.0 . . . no C31 C34 H30 175.6 . . . no C31 C34 H31 85.7 . . . no C31 C34 H32 38.5 . . . no C32 C34 C33 32.9(9) . . . ? C32 C34 C35 90.3(12) . . . ? C32 C34 C36 59.9(7) . . . ? C32 C34 H2 107.7 . . . no C32 C34 H3 134.9 . . . no C32 C34 H4 110.6 . . . no C32 C34 H5 95.9 . . . no C32 C34 H6 149.2 . . . no C32 C34 H26 95.7 . . . no C32 C34 H27 54.3 . . . no C32 C34 H28 9.7 . . . no C32 C34 H29 59.0 . . . no C32 C34 H30 154.4 . . . no C32 C34 H31 115.7 . . . no C32 C34 H32 68.5 . . . no C33 C34 C35 123.2(17) . . . ? C33 C34 C36 92.8(12) . . . ? C33 C34 H2 84.4 . . . no C33 C34 H3 114.6 . . . no C33 C34 H4 99.2 . . . no C33 C34 H5 109.8 . . . no C33 C34 H6 142.2 . . . no C33 C34 H26 96.9 . . . no C33 C34 H27 64.3 . . . no C33 C34 H28 23.3 . . . no C33 C34 H29 26.1 . . . no C33 C34 H30 121.5 . . . no C33 C34 H31 148.6 . . . no C33 C34 H32 101.3 . . . no C35 C34 C36 30.4(9) . . . ? C35 C34 H2 133.6 . . . no C35 C34 H3 111.1 . . . no C35 C34 H4 107.6 . . . no C35 C34 H5 65.9 . . . no C35 C34 H6 80.7 . . . no C35 C34 H26 82.6 . . . no C35 C34 H27 81.5 . . . no C35 C34 H28 100.0 . . . no C35 C34 H29 149.2 . . . no C35 C34 H30 115.3 . . . no C35 C34 H31 25.4 . . . no C35 C34 H32 21.8 . . . no C36 C34 H2 138.5 . . . no C36 C34 H3 131.9 . . . no C36 C34 H4 116.0 . . . no C36 C34 H5 72.4 . . . no C36 C34 H6 107.2 . . . no C36 C34 H26 86.6 . . . no C36 C34 H27 65.0 . . . no C36 C34 H28 69.5 . . . no C36 C34 H29 118.8 . . . no C36 C34 H30 145.7 . . . no C36 C34 H31 55.8 . . . no C36 C34 H32 8.6 . . . no H2 C34 H3 30.1 4_575 4_575 4_575 no H2 C34 H4 26.1 4_575 4_575 4_575 no H2 C34 H5 69.9 4_575 4_575 4_575 no H2 C34 H6 99.6 4_575 4_575 4_575 no H2 C34 H26 134.9 4_575 4_575 4_575 no H2 C34 H27 143.7 4_575 4_575 4_575 no H2 C34 H28 100.9 4_575 4_575 4_575 no H2 C34 H29 66.0 4_575 4_575 4_575 no H2 C34 H30 55.9 4_575 4_575 4_575 no H2 C34 H31 118.8 4_575 4_575 4_575 no H2 C34 H32 139.3 4_575 4_575 4_575 no H3 C34 H4 26.2 4_575 4_575 4_575 no H3 C34 H5 61.6 4_575 4_575 4_575 no H3 C34 H6 75.3 4_575 4_575 4_575 no H3 C34 H26 125.2 4_575 4_575 4_575 no H3 C34 H27 162.2 4_575 4_575 4_575 no H3 C34 H28 129.8 4_575 4_575 4_575 no H3 C34 H29 94.5 4_575 4_575 4_575 no H3 C34 H30 38.6 4_575 4_575 4_575 no H3 C34 H31 90.7 4_575 4_575 4_575 no H3 C34 H32 126.9 4_575 4_575 4_575 no H4 C34 H5 44.4 4_575 4_575 4_575 no H4 C34 H6 100.2 4_575 4_575 4_575 no H4 C34 H26 151.4 4_575 4_575 4_575 no H4 C34 H27 163.3 4_575 4_575 4_575 no H4 C34 H28 107.6 4_575 4_575 4_575 no H4 C34 H29 87.6 4_575 4_575 4_575 no H4 C34 H30 64.4 4_575 4_575 4_575 no H4 C34 H31 96.3 4_575 4_575 4_575 no H4 C34 H32 114.7 4_575 4_575 4_575 no H5 C34 H6 106.7 3_675 3_675 3_675 no H5 C34 H26 146.3 3_675 3_675 3_675 no H5 C34 H27 136.2 3_675 3_675 3_675 no H5 C34 H28 100.2 3_675 3_675 3_675 no H5 C34 H29 116.2 3_675 3_675 3_675 no H5 C34 H30 95.7 3_675 3_675 3_675 no H5 C34 H31 64.8 3_675 3_675 3_675 no H5 C34 H32 70.4 3_675 3_675 3_675 no H6 C34 H26 54.2 2_655 2_655 2_655 no H6 C34 H27 95.1 2_655 2_655 2_655 no H6 C34 H28 150.4 2_655 2_655 2_655 no H6 C34 H29 123.8 2_655 2_655 2_655 no H6 C34 H30 44.2 2_655 2_655 2_655 no H6 C34 H31 59.5 2_655 2_655 2_655 no H6 C34 H32 99.5 2_655 2_655 2_655 no H26 C34 H27 41.5 4_575 4_575 4_575 no H26 C34 H28 96.4 4_575 4_575 4_575 no H26 C34 H29 96.8 4_575 4_575 4_575 no H26 C34 H30 87.0 4_575 4_575 4_575 no H26 C34 H31 81.6 4_575 4_575 4_575 no H26 C34 H32 84.9 4_575 4_575 4_575 no H27 C34 H28 56.3 4_575 4_575 4_575 no H27 C34 H29 78.2 4_575 4_575 4_575 no H27 C34 H30 125.2 4_575 4_575 4_575 no H27 C34 H31 97.3 4_575 4_575 4_575 no H27 C34 H32 68.9 4_575 4_575 4_575 no H28 C34 H29 49.3 . . . no H28 C34 H30 144.8 . . . no H28 C34 H31 125.4 . . . no H28 C34 H32 78.1 . . . no H29 C34 H30 95.4 . . . no H29 C34 H31 174.4 . . . no H29 C34 H32 127.4 . . . no H30 C34 H31 89.9 . . . no H30 C34 H32 137.1 . . . no H31 C34 H32 47.2 . . . no N2 C35 C6 83.9(5) 2_655 2_655 2_655 ? N2 C35 C17 73.3(5) 2_655 2_655 2_655 ? N2 C35 C18 60.2(4) 2_655 2_655 2_655 ? N2 C35 C28 152.7(6) 2_655 2_655 2_655 ? N2 C35 C29 105.8(4) 2_655 2_655 2_655 ? N2 C35 C31 161.3(9) 2_655 2_655 2_655 ? N2 C35 C32 162.1(9) 2_655 2_655 2_655 ? N2 C35 C33 133.3(10) 2_655 2_655 2_655 ? N2 C35 C34 104.9(14) 2_655 2_655 2_655 ? N2 C35 C36 134.2(14) 2_655 2_655 2_655 ? N2 C35 H5 74.2 2_655 2_655 2_655 no N2 C35 H6 48.1 2_655 2_655 2_655 no N2 C35 H6 85.0 2_655 2_655 2_655 no N2 C35 H7 37.2 2_655 2_655 2_655 no N2 C35 H7 98.6 2_655 2_655 2_655 no N2 C35 H15 68.9 2_655 2_655 2_655 no N2 C35 H16 43.0 2_655 2_655 2_655 no N2 C35 H26 121.4 2_655 2_655 2_655 no N2 C35 H26 98.3 2_655 2_655 2_655 no N2 C35 H27 137.4 2_655 2_655 2_655 no N2 C35 H28 162.1 2_655 2_655 2_655 no N2 C35 H29 123.8 2_655 2_655 2_655 no N2 C35 H30 77.4 2_655 2_655 2_655 no N2 C35 H31 18.9 2_655 2_655 2_655 no N2 C35 H32 110.1 2_655 2_655 2_655 no C6 C35 C17 118.4(7) 3_675 3_675 3_675 ? C6 C35 C18 98.4(6) 3_675 3_675 3_675 ? C6 C35 C28 81.8(5) 3_675 3_675 3_675 ? C6 C35 C29 168.9(7) 3_675 3_675 3_675 ? C6 C35 C31 82.7(6) 3_675 3_675 3_675 ? C6 C35 C32 89.8(6) 3_675 3_675 3_675 ? C6 C35 C33 97.0(6) 3_675 3_675 3_675 ? C6 C35 C34 100.1(10) 3_675 3_675 3_675 ? C6 C35 C36 79.4(9) 3_675 3_675 3_675 ? C6 C35 H5 16.0 3_675 3_675 3_675 no C6 C35 H6 126.9 3_675 3_675 3_675 no C6 C35 H6 17.2 3_675 3_675 3_675 no C6 C35 H7 120.1 3_675 3_675 3_675 no C6 C35 H7 15.6 3_675 3_675 3_675 no C6 C35 H15 131.9 3_675 3_675 3_675 no C6 C35 H16 93.1 3_675 3_675 3_675 no C6 C35 H26 61.0 3_675 3_675 3_675 no C6 C35 H26 173.1 3_675 3_675 3_675 no C6 C35 H27 138.4 3_675 3_675 3_675 no C6 C35 H28 90.2 3_675 3_675 3_675 no C6 C35 H29 99.1 3_675 3_675 3_675 no C6 C35 H30 102.4 3_675 3_675 3_675 no C6 C35 H31 88.3 3_675 3_675 3_675 no C6 C35 H32 78.7 3_675 3_675 3_675 no C17 C35 C18 21.7(3) . . . ? C17 C35 C28 93.4(5) . . . ? C17 C35 C29 61.0(4) . . . ? C17 C35 C31 102.0(9) . . . ? C17 C35 C32 124.1(8) . . . ? C17 C35 C33 139.5(7) . . . ? C17 C35 C34 140.5(11) . . . ? C17 C35 C36 77.9(12) . . . ? C17 C35 H5 125.2 . . . no C17 C35 H6 73.5 . . . no C17 C35 H6 102.7 . . . no C17 C35 H7 50.3 . . . no C17 C35 H7 128.3 . . . no C17 C35 H15 17.0 . . . no C17 C35 H16 34.9 . . . no C17 C35 H26 83.8 . . . no C17 C35 H26 68.5 . . . no C17 C35 H27 79.3 . . . no C17 C35 H28 124.0 . . . no C17 C35 H29 141.1 . . . no C17 C35 H30 125.6 . . . no C17 C35 H31 55.7 . . . no C17 C35 H32 58.6 . . . no C18 C35 C28 99.2(6) . . . ? C18 C35 C29 82.3(5) . . . ? C18 C35 C31 109.2(10) . . . ? C18 C35 C32 137.6(9) . . . ? C18 C35 C33 160.8(8) . . . ? C18 C35 C34 154.7(13) . . . ? C18 C35 C36 80.5(13) . . . ? C18 C35 H5 103.6 . . . no C18 C35 H6 78.2 . . . no C18 C35 H6 84.1 . . . no C18 C35 H7 51.0 . . . no C18 C35 H7 110.5 . . . no C18 C35 H15 33.6 . . . no C18 C35 H16 17.3 . . . no C18 C35 H26 79.2 . . . no C18 C35 H26 88.4 . . . no C18 C35 H27 100.1 . . . no C18 C35 H28 137.6 . . . no C18 C35 H29 162.4 . . . no C18 C35 H30 129.9 . . . no C18 C35 H31 41.3 . . . no C18 C35 H32 56.6 . . . no C28 C35 C29 87.1(4) . . . ? C28 C35 C31 10.3(7) . . . ? C28 C35 C32 40.7(6) . . . ? C28 C35 C33 71.7(7) . . . ? C28 C35 C34 100.4(12) . . . ? C28 C35 C36 19.4(10) . . . ? C28 C35 H5 95.9 . . . no C28 C35 H6 151.3 . . . no C28 C35 H6 74.6 . . . no C28 C35 H7 142.7 . . . no C28 C35 H7 70.6 . . . no C28 C35 H15 104.6 . . . no C28 C35 H16 114.8 . . . no C28 C35 H26 31.7 . . . no C28 C35 H26 98.8 . . . no C28 C35 H27 58.7 . . . no C28 C35 H28 41.0 . . . no C28 C35 H29 81.6 . . . no C28 C35 H30 128.5 . . . no C28 C35 H31 137.2 . . . no C28 C35 H32 44.2 . . . no C29 C35 C31 86.6(5) 4_575 4_575 4_575 ? C29 C35 C32 82.4(5) 4_575 4_575 4_575 ? C29 C35 C33 80.4(5) 4_575 4_575 4_575 ? C29 C35 C34 82.8(10) 4_575 4_575 4_575 ? C29 C35 C36 89.8(9) 4_575 4_575 4_575 ? C29 C35 H5 172.7 4_575 4_575 4_575 no C29 C35 H6 64.2 4_575 4_575 4_575 no C29 C35 H6 155.1 4_575 4_575 4_575 no C29 C35 H7 68.9 4_575 4_575 4_575 no C29 C35 H7 155.6 4_575 4_575 4_575 no C29 C35 H15 50.4 4_575 4_575 4_575 no C29 C35 H16 90.6 4_575 4_575 4_575 no C29 C35 H26 108.5 4_575 4_575 4_575 no C29 C35 H26 14.1 4_575 4_575 4_575 no C29 C35 H27 31.6 4_575 4_575 4_575 no C29 C35 H28 82.0 4_575 4_575 4_575 no C29 C35 H29 80.1 4_575 4_575 4_575 no C29 C35 H30 85.3 4_575 4_575 4_575 no C29 C35 H31 99.3 4_575 4_575 4_575 no C29 C35 H32 92.6 4_575 4_575 4_575 no C31 C35 C32 30.5(5) . . . ? C31 C35 C33 61.5(7) . . . ? C31 C35 C34 90.2(12) . . . ? C31 C35 C36 29.6(9) . . . ? C31 C35 H5 95.2 . . . no C31 C35 H6 149.1 . . . no C31 C35 H6 78.4 . . . no C31 C35 H7 149.3 . . . no C31 C35 H7 69.7 . . . no C31 C35 H15 111.7 . . . no C31 C35 H16 125.0 . . . no C31 C35 H26 40.1 . . . no C31 C35 H26 96.6 . . . no C31 C35 H27 56.1 . . . no C31 C35 H28 30.8 . . . no C31 C35 H29 71.3 . . . no C31 C35 H30 118.3 . . . no C31 C35 H31 147.4 . . . no C31 C35 H32 54.4 . . . no C32 C35 C33 31.0(5) . . . ? C32 C35 C34 59.7(11) . . . ? C32 C35 C36 60.1(10) . . . ? C32 C35 H5 95.6 . . . no C32 C35 H6 128.1 . . . no C32 C35 H6 93.9 . . . no C32 C35 H7 149.2 . . . no C32 C35 H7 74.2 . . . no C32 C35 H15 126.3 . . . no C32 C35 H16 154.6 . . . no C32 C35 H26 68.7 . . . no C32 C35 H26 86.2 . . . no C32 C35 H27 52.4 . . . no C32 C35 H28 0.5 . . . no C32 C35 H29 40.8 . . . no C32 C35 H30 87.8 . . . no C32 C35 H31 177.5 . . . no C32 C35 H32 84.9 . . . no C33 C35 C34 28.7(9) . . . ? C33 C35 C36 91.1(12) . . . ? C33 C35 H5 94.3 . . . no C33 C35 H6 101.5 . . . no C33 C35 H6 108.8 . . . no C33 C35 H7 128.0 . . . no C33 C35 H7 83.0 . . . no C33 C35 H15 130.7 . . . no C33 C35 H16 168.8 . . . no C33 C35 H26 98.5 . . . no C33 C35 H26 76.7 . . . no C33 C35 H27 60.7 . . . no C33 C35 H28 30.8 . . . no C33 C35 H29 9.8 . . . no C33 C35 H30 56.8 . . . no C33 C35 H31 151.1 . . . no C33 C35 H32 115.9 . . . no C34 C35 C36 119.8(17) . . . ? C34 C35 H5 90.2 . . . no C34 C35 H6 77.0 . . . no C34 C35 H6 116.6 . . . no C34 C35 H7 104.3 . . . no C34 C35 H7 91.1 . . . no C34 C35 H15 124.4 . . . no C34 C35 H16 143.8 . . . no C34 C35 H26 125.1 . . . no C34 C35 H26 72.9 . . . no C34 C35 H27 76.9 . . . no C34 C35 H28 59.4 . . . no C34 C35 H29 18.9 . . . no C34 C35 H30 28.1 . . . no C34 C35 H31 122.4 . . . no C34 C35 H32 144.6 . . . no C36 C35 H5 95.3 . . . no C36 C35 H6 148.1 . . . no C36 C35 H6 67.5 . . . no C36 C35 H7 128.1 . . . no C36 C35 H7 72.7 . . . no C36 C35 H15 91.7 . . . no C36 C35 H16 95.6 . . . no C36 C35 H26 19.2 . . . no C36 C35 H26 103.4 . . . no C36 C35 H27 67.4 . . . no C36 C35 H28 60.4 . . . no C36 C35 H29 100.9 . . . no C36 C35 H30 147.9 . . . no C36 C35 H31 117.8 . . . no C36 C35 H32 24.8 . . . no H5 C35 H6 112.6 3_675 3_675 3_675 no H5 C35 H6 31.7 3_675 3_675 3_675 no H5 C35 H7 111.5 3_675 3_675 3_675 no H5 C35 H7 25.5 3_675 3_675 3_675 no H5 C35 H15 134.3 3_675 3_675 3_675 no H5 C35 H16 94.0 3_675 3_675 3_675 no H5 C35 H26 77.0 3_675 3_675 3_675 no H5 C35 H26 159.3 3_675 3_675 3_675 no H5 C35 H27 147.8 3_675 3_675 3_675 no H5 C35 H28 96.0 3_675 3_675 3_675 no H5 C35 H29 93.8 3_675 3_675 3_675 no H5 C35 H30 87.7 3_675 3_675 3_675 no H5 C35 H31 83.0 3_675 3_675 3_675 no H5 C35 H32 94.1 3_675 3_675 3_675 no H6 C35 H6 132.5 2_655 2_655 2_655 no H6 C35 H7 27.3 2_655 2_655 2_655 no H6 C35 H7 137.4 2_655 2_655 2_655 no H6 C35 H15 57.9 2_655 2_655 2_655 no H6 C35 H16 68.3 2_655 2_655 2_655 no H6 C35 H26 156.9 2_655 2_655 2_655 no H6 C35 H26 52.9 2_655 2_655 2_655 no H6 C35 H27 93.4 2_655 2_655 2_655 no H6 C35 H28 127.7 2_655 2_655 2_655 no H6 C35 H29 92.7 2_655 2_655 2_655 no H6 C35 H30 52.9 2_655 2_655 2_655 no H6 C35 H31 54.4 2_655 2_655 2_655 no H6 C35 H32 132.1 2_655 2_655 2_655 no H6 C35 H7 116.8 3_675 3_675 3_675 no H6 C35 H7 26.4 3_675 3_675 3_675 no H6 C35 H15 117.6 3_675 3_675 3_675 no H6 C35 H16 82.1 3_675 3_675 3_675 no H6 C35 H26 48.3 3_675 3_675 3_675 no H6 C35 H26 168.9 3_675 3_675 3_675 no H6 C35 H27 133.2 3_675 3_675 3_675 no H6 C35 H28 94.4 3_675 3_675 3_675 no H6 C35 H29 112.8 3_675 3_675 3_675 no H6 C35 H30 119.3 3_675 3_675 3_675 no H6 C35 H31 83.7 3_675 3_675 3_675 no H6 C35 H32 62.5 3_675 3_675 3_675 no H7 C35 H7 135.4 2_655 2_655 2_655 no H7 C35 H15 38.0 2_655 2_655 2_655 no H7 C35 H16 41.3 2_655 2_655 2_655 no H7 C35 H26 130.2 2_655 2_655 2_655 no H7 C35 H26 63.3 2_655 2_655 2_655 no H7 C35 H27 100.4 2_655 2_655 2_655 no H7 C35 H28 148.8 2_655 2_655 2_655 no H7 C35 H29 119.7 2_655 2_655 2_655 no H7 C35 H30 79.2 2_655 2_655 2_655 no H7 C35 H31 33.1 2_655 2_655 2_655 no H7 C35 H32 106.7 2_655 2_655 2_655 no H7 C35 H15 143.9 3_675 3_675 3_675 no H7 C35 H16 107.5 3_675 3_675 3_675 no H7 C35 H26 56.5 3_675 3_675 3_675 no H7 C35 H26 159.3 3_675 3_675 3_675 no H7 C35 H27 124.0 3_675 3_675 3_675 no H7 C35 H28 74.6 3_675 3_675 3_675 no H7 C35 H29 86.5 3_675 3_675 3_675 no H7 C35 H30 100.4 3_675 3_675 3_675 no H7 C35 H31 103.9 3_675 3_675 3_675 no H7 C35 H32 78.7 3_675 3_675 3_675 no H15 C35 H16 40.3 . . . no H15 C35 H26 100.0 . . . no H15 C35 H26 54.8 . . . no H15 C35 H27 75.4 . . . no H15 C35 H28 126.1 . . . no H15 C35 H29 129.0 . . . no H15 C35 H30 108.9 . . . no H15 C35 H31 54.3 . . . no H15 C35 H32 74.8 . . . no H16 C35 H26 90.7 . . . no H16 C35 H26 93.0 . . . no H16 C35 H27 113.9 . . . no H16 C35 H28 154.7 . . . no H16 C35 H29 161.0 . . . no H16 C35 H30 116.2 . . . no H16 C35 H31 24.1 . . . no H16 C35 H32 70.9 . . . no H26 C35 H26 122.3 . . . no H26 C35 H27 86.4 . . . no H26 C35 H28 69.1 . . . no H26 C35 H29 107.9 . . . no H26 C35 H30 150.1 . . . no H26 C35 H31 108.9 . . . no H26 C35 H32 25.2 . . . no H26 C35 H27 40.6 4_575 4_575 4_575 no H26 C35 H28 85.8 4_575 4_575 4_575 no H26 C35 H29 74.2 4_575 4_575 4_575 no H26 C35 H30 71.8 4_575 4_575 4_575 no H26 C35 H31 95.9 4_575 4_575 4_575 no H26 C35 H32 106.5 4_575 4_575 4_575 no H27 C35 H28 52.0 4_575 4_575 4_575 no H27 C35 H29 65.1 4_575 4_575 4_575 no H27 C35 H30 93.6 4_575 4_575 4_575 no H27 C35 H31 128.9 4_575 4_575 4_575 no H27 C35 H32 81.0 4_575 4_575 4_575 no H28 C35 H29 40.6 . . . no H28 C35 H30 87.5 . . . no H28 C35 H31 177.9 . . . no H28 C35 H32 85.2 . . . no H29 C35 H30 47.0 . . . no H29 C35 H31 141.3 . . . no H29 C35 H32 125.7 . . . no H30 C35 H31 94.3 . . . no H30 C35 H32 172.6 . . . no H31 C35 H32 93.1 . . . no C6 C36 C17 118.9(6) 3_675 3_675 3_675 ? C6 C36 C18 97.5(5) 3_675 3_675 3_675 ? C6 C36 C27 114.0(5) 3_675 3_675 3_675 ? C6 C36 C28 102.7(6) 3_675 3_675 3_675 ? C6 C36 C29 89.2(5) 3_675 3_675 3_675 ? C6 C36 C30 161.6(5) 3_675 3_675 3_675 ? C6 C36 C31 99.0(10) 3_675 3_675 3_675 ? C6 C36 C32 95.6(6) 3_675 3_675 3_675 ? C6 C36 C33 89.9(6) 3_675 3_675 3_675 ? C6 C36 C34 82.8(6) 3_675 3_675 3_675 ? C6 C36 C35 78.4(9) 3_675 3_675 3_675 ? C6 C36 H5 17.3 3_675 3_675 3_675 no C6 C36 H6 15.9 3_675 3_675 3_675 no C6 C36 H7 16.6 3_675 3_675 3_675 no C6 C36 H15 122.1 3_675 3_675 3_675 no C6 C36 H16 86.7 3_675 3_675 3_675 no C6 C36 H20 141.7 3_675 3_675 3_675 no C6 C36 H26 73.7 3_675 3_675 3_675 no C6 C36 H26 134.0 3_675 3_675 3_675 no C6 C36 H27 152.1 3_675 3_675 3_675 no C6 C36 H28 97.9 3_675 3_675 3_675 no C6 C36 H29 90.1 3_675 3_675 3_675 no C6 C36 H30 81.2 3_675 3_675 3_675 no C6 C36 H31 76.2 3_675 3_675 3_675 no C6 C36 H32 92.8 3_675 3_675 3_675 no C17 C36 C18 21.6(3) . . . ? C17 C36 C27 118.7(5) . . . ? C17 C36 C28 122.4(7) . . . ? C17 C36 C29 111.9(6) . . . ? C17 C36 C30 69.1(4) . . . ? C17 C36 C31 140.5(11) . . . ? C17 C36 C32 140.5(6) . . . ? C17 C36 C33 124.7(6) . . . ? C17 C36 C34 103.8(8) . . . ? C17 C36 C35 80.3(12) . . . ? C17 C36 H5 114.4 . . . no C17 C36 H6 108.7 . . . no C17 C36 H7 135.1 . . . no C17 C36 H15 16.0 . . . no C17 C36 H16 33.1 . . . no C17 C36 H20 74.5 . . . no C17 C36 H26 106.4 . . . no C17 C36 H26 63.2 . . . no C17 C36 H27 83.4 . . . no C17 C36 H28 141.7 . . . no C17 C36 H29 124.0 . . . no C17 C36 H30 95.4 . . . no C17 C36 H31 60.4 . . . no C17 C36 H32 54.4 . . . no C18 C36 C27 132.9(6) . . . ? C18 C36 C28 130.9(7) . . . ? C18 C36 C29 111.0(6) . . . ? C18 C36 C30 90.6(4) . . . ? C18 C36 C31 157.6(13) . . . ? C18 C36 C32 159.1(7) . . . ? C18 C36 C33 133.8(8) . . . ? C18 C36 C34 106.3(9) . . . ? C18 C36 C35 77.7(12) . . . ? C18 C36 H5 95.1 . . . no C18 C36 H6 87.1 . . . no C18 C36 H7 113.6 . . . no C18 C36 H15 32.0 . . . no C18 C36 H16 16.1 . . . no C18 C36 H20 89.1 . . . no C18 C36 H26 98.1 . . . no C18 C36 H26 79.9 . . . no C18 C36 H27 104.9 . . . no C18 C36 H28 163.0 . . . no C18 C36 H29 133.0 . . . no C18 C36 H30 96.1 . . . no C18 C36 H31 52.2 . . . no C18 C36 H32 46.6 . . . no C27 C36 C28 14.3(4) . . . ? C27 C36 C29 40.5(4) . . . ? C27 C36 C30 70.5(4) . . . ? C27 C36 C31 24.9(10) . . . ? C27 C36 C32 53.3(7) . . . ? C27 C36 C33 82.4(7) . . . ? C27 C36 C34 111.5(8) . . . ? C27 C36 C35 140.3(13) . . . ? C27 C36 H5 125.0 . . . no C27 C36 H6 114.4 . . . no C27 C36 H7 98.5 . . . no C27 C36 H15 122.3 . . . no C27 C36 H16 148.9 . . . no C27 C36 H20 44.5 . . . no C27 C36 H26 61.7 . . . no C27 C36 H26 99.4 . . . no C27 C36 H27 60.7 . . . no C27 C36 H28 44.2 . . . no C27 C36 H29 83.0 . . . no C27 C36 H30 121.7 . . . no C27 C36 H31 164.6 . . . no C27 C36 H32 95.8 . . . no C28 C36 C29 27.3(4) . . . ? C28 C36 C30 84.0(5) . . . ? C28 C36 C31 29.5(10) . . . ? C28 C36 C32 60.8(9) . . . ? C28 C36 C33 90.7(9) . . . ? C28 C36 C34 120.2(11) . . . ? C28 C36 C35 150.0(15) . . . ? C28 C36 H5 115.9 . . . no C28 C36 H6 101.0 . . . no C28 C36 H7 88.3 . . . no C28 C36 H15 130.1 . . . no C28 C36 H16 146.0 . . . no C28 C36 H20 49.1 . . . no C28 C36 H26 48.0 . . . no C28 C36 H26 113.6 . . . no C28 C36 H27 74.9 . . . no C28 C36 H28 51.5 . . . no C28 C36 H29 91.4 . . . no C28 C36 H30 130.7 . . . no C28 C36 H31 176.8 . . . no C28 C36 H32 87.9 . . . no C29 C36 C30 103.3(5) . . . ? C29 C36 C31 54.5(11) . . . ? C29 C36 C32 85.4(9) . . . ? C29 C36 C33 114.7(9) . . . ? C29 C36 C34 142.6(10) . . . ? C29 C36 C35 166.0(12) . . . ? C29 C36 H5 106.0 . . . no C29 C36 H6 81.8 . . . no C29 C36 H7 79.8 . . . no C29 C36 H15 125.7 . . . no C29 C36 H16 122.9 . . . no C29 C36 H20 53.6 . . . no C29 C36 H26 21.3 . . . no C29 C36 H26 135.0 . . . no C29 C36 H27 97.9 . . . no C29 C36 H28 76.4 . . . no C29 C36 H29 115.5 . . . no C29 C36 H30 152.3 . . . no C29 C36 H31 154.7 . . . no C29 C36 H32 64.6 . . . no C30 C36 C31 78.1(9) 4_575 4_575 4_575 ? C30 C36 C32 72.4(5) 4_575 4_575 4_575 ? C30 C36 C33 72.7(5) 4_575 4_575 4_575 ? C30 C36 C34 79.1(5) 4_575 4_575 4_575 ? C30 C36 C35 87.3(9) 4_575 4_575 4_575 ? C30 C36 H5 145.8 4_575 4_575 4_575 no C30 C36 H6 174.9 4_575 4_575 4_575 no C30 C36 H7 153.1 4_575 4_575 4_575 no C30 C36 H15 60.8 4_575 4_575 4_575 no C30 C36 H16 97.4 4_575 4_575 4_575 no C30 C36 H20 54.4 4_575 4_575 4_575 no C30 C36 H26 121.6 4_575 4_575 4_575 no C30 C36 H26 31.7 4_575 4_575 4_575 no C30 C36 H27 14.3 4_575 4_575 4_575 no C30 C36 H28 72.6 4_575 4_575 4_575 no C30 C36 H29 72.4 4_575 4_575 4_575 no C30 C36 H30 81.5 4_575 4_575 4_575 no C30 C36 H31 96.2 4_575 4_575 4_575 no C30 C36 H32 104.7 4_575 4_575 4_575 no C31 C36 C32 31.3(9) . . . ? C31 C36 C33 61.2(11) . . . ? C31 C36 C34 90.7(13) . . . ? C31 C36 C35 120.5(17) . . . ? C31 C36 H5 105.1 . . . no C31 C36 H6 105.6 . . . no C31 C36 H7 82.5 . . . no C31 C36 H15 138.3 . . . no C31 C36 H16 173.4 . . . no C31 C36 H20 68.6 . . . no C31 C36 H26 72.4 . . . no C31 C36 H26 99.0 . . . no C31 C36 H27 64.8 . . . no C31 C36 H28 22.1 . . . no C31 C36 H29 62.0 . . . no C31 C36 H30 101.2 . . . no C31 C36 H31 147.4 . . . no C31 C36 H32 117.4 . . . no C32 C36 C33 29.9(5) . . . ? C32 C36 C34 59.4(7) . . . ? C32 C36 C35 89.2(12) . . . ? C32 C36 H5 92.6 . . . no C32 C36 H6 108.9 . . . no C32 C36 H7 81.3 . . . no C32 C36 H15 127.6 . . . no C32 C36 H16 151.7 . . . no C32 C36 H20 90.6 . . . no C32 C36 H26 101.2 . . . no C32 C36 H26 79.3 . . . no C32 C36 H27 58.4 . . . no C32 C36 H28 9.3 . . . no C32 C36 H29 30.6 . . . no C32 C36 H30 69.9 . . . no C32 C36 H31 116.2 . . . no C32 C36 H32 148.7 . . . no C33 C36 C34 29.5(5) . . . ? C33 C36 C35 59.3(10) . . . ? C33 C36 H5 79.2 . . . no C33 C36 H6 105.8 . . . no C33 C36 H7 81.7 . . . no C33 C36 H15 108.8 . . . no C33 C36 H16 122.3 . . . no C33 C36 H20 112.3 . . . no C33 C36 H26 127.5 . . . no C33 C36 H26 63.2 . . . no C33 C36 H27 62.6 . . . no C33 C36 H28 39.2 . . . no C33 C36 H29 0.8 . . . no C33 C36 H30 40.0 . . . no C33 C36 H31 86.3 . . . no C33 C36 H32 177.2 . . . no C34 C36 C35 29.8(9) . . . ? C34 C36 H5 66.9 . . . no C34 C36 H6 97.2 . . . no C34 C36 H7 82.6 . . . no C34 C36 H15 88.5 . . . no C34 C36 H16 93.2 . . . no C34 C36 H20 131.4 . . . no C34 C36 H26 148.0 . . . no C34 C36 H26 55.1 . . . no C34 C36 H27 75.2 . . . no C34 C36 H28 68.7 . . . no C34 C36 H29 28.8 . . . no C34 C36 H30 10.5 . . . no C34 C36 H31 56.8 . . . no C34 C36 H32 151.9 . . . no C35 C36 H5 61.3 . . . no C35 C36 H6 87.7 . . . no C35 C36 H7 86.6 . . . no C35 C36 H15 67.5 . . . no C35 C36 H16 63.6 . . . no C35 C36 H20 139.5 . . . no C35 C36 H26 151.0 . . . no C35 C36 H26 56.0 . . . no C35 C36 H27 90.2 . . . no C35 C36 H28 98.5 . . . no C35 C36 H29 58.6 . . . no C35 C36 H30 19.3 . . . no C35 C36 H31 27.0 . . . no C35 C36 H32 122.1 . . . no H5 C36 H6 30.3 3_675 3_675 3_675 no H5 C36 H7 27.8 3_675 3_675 3_675 no H5 C36 H15 112.7 3_675 3_675 3_675 no H5 C36 H16 81.3 3_675 3_675 3_675 no H5 C36 H20 159.0 3_675 3_675 3_675 no H5 C36 H26 91.0 3_675 3_675 3_675 no H5 C36 H26 116.7 3_675 3_675 3_675 no H5 C36 H27 140.8 3_675 3_675 3_675 no H5 C36 H28 97.4 3_675 3_675 3_675 no H5 C36 H29 79.2 3_675 3_675 3_675 no H5 C36 H30 64.3 3_675 3_675 3_675 no H5 C36 H31 62.4 3_675 3_675 3_675 no H5 C36 H32 103.6 3_675 3_675 3_675 no H6 C36 H7 27.6 3_675 3_675 3_675 no H6 C36 H15 115.9 3_675 3_675 3_675 no H6 C36 H16 79.2 3_675 3_675 3_675 no H6 C36 H20 130.0 3_675 3_675 3_675 no H6 C36 H26 63.3 3_675 3_675 3_675 no H6 C36 H26 143.2 3_675 3_675 3_675 no H6 C36 H27 167.2 3_675 3_675 3_675 no H6 C36 H28 109.5 3_675 3_675 3_675 no H6 C36 H29 106.0 3_675 3_675 3_675 no H6 C36 H30 94.2 3_675 3_675 3_675 no H6 C36 H31 78.7 3_675 3_675 3_675 no H6 C36 H32 76.9 3_675 3_675 3_675 no H7 C36 H15 138.5 3_675 3_675 3_675 no H7 C36 H16 103.3 3_675 3_675 3_675 no H7 C36 H20 133.3 3_675 3_675 3_675 no H7 C36 H26 68.6 3_675 3_675 3_675 no H7 C36 H26 137.6 3_675 3_675 3_675 no H7 C36 H27 139.7 3_675 3_675 3_675 no H7 C36 H28 82.4 3_675 3_675 3_675 no H7 C36 H29 82.1 3_675 3_675 3_675 no H7 C36 H30 84.1 3_675 3_675 3_675 no H7 C36 H31 90.1 3_675 3_675 3_675 no H7 C36 H32 100.7 3_675 3_675 3_675 no H15 C36 H16 36.7 . . . no H15 C36 H20 81.1 . . . no H15 C36 H26 122.2 . . . no H15 C36 H26 48.5 . . . no H15 C36 H27 74.7 . . . no H15 C36 H28 131.3 . . . no H15 C36 H29 108.1 . . . no H15 C36 H30 80.7 . . . no H15 C36 H31 52.3 . . . no H15 C36 H32 70.4 . . . no H16 C36 H20 104.9 . . . no H16 C36 H26 106.5 . . . no H16 C36 H26 79.0 . . . no H16 C36 H27 111.1 . . . no H16 C36 H28 160.4 . . . no H16 C36 H29 121.5 . . . no H16 C36 H30 82.7 . . . no H16 C36 H31 37.2 . . . no H16 C36 H32 58.8 . . . no H20 C36 H26 68.1 4_575 4_575 4_575 no H20 C36 H26 84.3 4_575 4_575 4_575 no H20 C36 H27 56.2 4_575 4_575 4_575 no H20 C36 H28 83.2 4_575 4_575 4_575 no H20 C36 H29 112.5 4_575 4_575 4_575 no H20 C36 H30 135.7 4_575 4_575 4_575 no H20 C36 H31 133.4 4_575 4_575 4_575 no H20 C36 H32 65.0 4_575 4_575 4_575 no H26 C36 H26 152.3 . . . no H26 C36 H27 118.3 . . . no H26 C36 H28 93.1 . . . no H26 C36 H29 128.4 . . . no H26 C36 H30 152.5 . . . no H26 C36 H31 133.7 . . . no H26 C36 H32 52.7 . . . no H26 C36 H27 38.7 4_575 4_575 4_575 no H26 C36 H28 84.3 4_575 4_575 4_575 no H26 C36 H29 62.5 4_575 4_575 4_575 no H26 C36 H30 53.8 4_575 4_575 4_575 no H26 C36 H31 66.0 4_575 4_575 4_575 no H26 C36 H32 115.2 4_575 4_575 4_575 no H27 C36 H28 58.3 4_575 4_575 4_575 no H27 C36 H29 62.4 4_575 4_575 4_575 no H27 C36 H30 80.1 4_575 4_575 4_575 no H27 C36 H31 104.7 4_575 4_575 4_575 no H27 C36 H32 114.7 4_575 4_575 4_575 no H28 C36 H29 39.9 . . . no H28 C36 H30 79.2 . . . no H28 C36 H31 125.5 . . . no H28 C36 H32 139.3 . . . no H29 C36 H30 39.3 . . . no H29 C36 H31 85.6 . . . no H29 C36 H32 177.1 . . . no H30 C36 H31 46.3 . . . no H30 C36 H32 141.4 . . . no H31 C36 H32 95.1 . . . no O1 H1 N1 137.1 4_465 4_465 4_465 no O1 H1 N1 37.3 4_465 4_465 4_465 no O1 H1 N2 175.1 4_465 4_465 4_465 no O1 H1 N2 33.9 4_465 4_465 4_465 no O1 H1 C1 158.1 4_465 4_465 4_465 no O1 H1 C1 22.7 4_465 4_465 4_465 no O1 H1 C2 123.6 4_465 4_465 4_465 no O1 H1 C3 155.2 4_465 4_465 4_465 no O1 H1 C4 169.2 4_465 4_465 4_465 no O1 H1 C5 91.3 4_465 4_465 4_465 no O1 H1 C6 135.4 4_465 4_465 4_465 no O1 H1 C7 49.5 4_465 4_465 4_465 no O1 H1 C11 66.6 4_465 4_465 4_465 no O1 H1 C12 72.6 4_465 4_465 4_465 no O1 H1 C12 69.9 4_465 4_465 4_465 no O1 H1 H2 92.4 4_465 4_465 4_465 no O1 H1 H3 92.3 4_465 4_465 4_465 no O1 H1 H3 115.9 4_465 4_465 4_465 no O1 H1 H4 68.8 4_465 4_465 4_465 no O1 H1 H5 115.8 4_465 4_465 4_465 no O1 H1 H6 124.5 4_465 4_465 4_465 no O1 H1 H7 139.5 4_465 4_465 4_465 no O1 H1 H10 58.0 4_465 4_465 4_465 no O1 H1 H11 82.2 4_465 4_465 4_465 no O1 H1 H11 64.2 4_465 4_465 4_465 no N1 H1 N1 129.7 . . . no N1 H1 N2 42.3 . . . no N1 H1 N2 167.9 . . . no N1 H1 C1 21.7 . . . no N1 H1 C1 148.9 . . . no N1 H1 C2 13.7 . . . no N1 H1 C3 18.1 . . . no N1 H1 C4 52.6 . . . no N1 H1 C5 46.1 . . . no N1 H1 C6 87.3 . . . no N1 H1 C7 107.1 . . . no N1 H1 C11 120.7 . . . no N1 H1 C12 90.9 . . . no N1 H1 C12 101.6 . . . no N1 H1 H2 45.1 . . . no N1 H1 H3 48.6 . . . no N1 H1 H3 57.3 . . . no N1 H1 H4 68.4 . . . no N1 H1 H5 103.9 . . . no N1 H1 H6 96.6 . . . no N1 H1 H7 82.8 . . . no N1 H1 H10 137.9 . . . no N1 H1 H11 94.5 . . . no N1 H1 H11 94.9 . . . no N1 H1 N2 138.0 4_465 4_465 4_465 no N1 H1 N2 38.6 4_465 4_465 4_465 no N1 H1 C1 136.6 4_465 4_465 4_465 no N1 H1 C1 22.4 4_465 4_465 4_465 no N1 H1 C2 122.3 4_465 4_465 4_465 no N1 H1 C3 139.0 4_465 4_465 4_465 no N1 H1 C4 135.5 4_465 4_465 4_465 no N1 H1 C5 99.5 4_465 4_465 4_465 no N1 H1 C6 117.2 4_465 4_465 4_465 no N1 H1 C7 22.8 4_465 4_465 4_465 no N1 H1 C11 100.0 4_465 4_465 4_465 no N1 H1 C12 40.8 4_465 4_465 4_465 no N1 H1 C12 107.1 4_465 4_465 4_465 no N1 H1 H2 92.4 4_465 4_465 4_465 no N1 H1 H3 109.3 4_465 4_465 4_465 no N1 H1 H3 151.5 4_465 4_465 4_465 no N1 H1 H4 80.5 4_465 4_465 4_465 no N1 H1 H5 93.2 4_465 4_465 4_465 no N1 H1 H6 123.2 4_465 4_465 4_465 no N1 H1 H7 117.7 4_465 4_465 4_465 no N1 H1 H10 86.4 4_465 4_465 4_465 no N1 H1 H11 45.6 4_465 4_465 4_465 no N1 H1 H11 100.5 4_465 4_465 4_465 no N2 H1 N2 145.5 . . . no N2 H1 C1 20.7 . . . no N2 H1 C1 154.1 . . . no N2 H1 C2 56.0 . . . no N2 H1 C3 24.4 . . . no N2 H1 C4 10.3 . . . no N2 H1 C5 88.4 . . . no N2 H1 C6 45.0 . . . no N2 H1 C7 125.6 . . . no N2 H1 C11 118.2 . . . no N2 H1 C12 102.6 . . . no N2 H1 C12 114.9 . . . no N2 H1 H2 86.2 . . . no N2 H1 H3 88.7 . . . no N2 H1 H3 68.3 . . . no N2 H1 H4 110.7 . . . no N2 H1 H5 63.1 . . . no N2 H1 H6 58.0 . . . no N2 H1 H7 40.5 . . . no N2 H1 H10 126.3 . . . no N2 H1 H11 92.9 . . . no N2 H1 H11 119.9 . . . no N2 H1 C1 163.8 4_465 4_465 4_465 no N2 H1 C1 19.0 4_465 4_465 4_465 no N2 H1 C2 156.4 4_465 4_465 4_465 no N2 H1 C3 168.8 4_465 4_465 4_465 no N2 H1 C4 135.6 4_465 4_465 4_465 no N2 H1 C5 124.9 4_465 4_465 4_465 no N2 H1 C6 101.6 4_465 4_465 4_465 no N2 H1 C7 61.0 4_465 4_465 4_465 no N2 H1 C11 66.7 4_465 4_465 4_465 no N2 H1 C12 78.4 4_465 4_465 4_465 no N2 H1 C12 82.8 4_465 4_465 4_465 no N2 H1 H2 123.9 4_465 4_465 4_465 no N2 H1 H3 125.8 4_465 4_465 4_465 no N2 H1 H3 130.2 4_465 4_465 4_465 no N2 H1 H4 102.4 4_465 4_465 4_465 no N2 H1 H5 82.4 4_465 4_465 4_465 no N2 H1 H6 94.6 4_465 4_465 4_465 no N2 H1 H7 105.5 4_465 4_465 4_465 no N2 H1 H10 50.4 4_465 4_465 4_465 no N2 H1 H11 77.2 4_465 4_465 4_465 no N2 H1 H11 86.1 4_465 4_465 4_465 no C1 H1 C1 158.9 . . . no C1 H1 C2 35.4 . . . no C1 H1 C3 5.0 . . . no C1 H1 C4 31.0 . . . no C1 H1 C5 67.8 . . . no C1 H1 C6 65.7 . . . no C1 H1 C7 117.0 . . . no C1 H1 C11 123.2 . . . no C1 H1 C12 96.0 . . . no C1 H1 C12 110.9 . . . no C1 H1 H2 65.7 . . . no C1 H1 H3 69.4 . . . no C1 H1 H3 62.3 . . . no C1 H1 H4 90.0 . . . no C1 H1 H5 82.6 . . . no C1 H1 H6 77.2 . . . no C1 H1 H7 61.1 . . . no C1 H1 H10 136.8 . . . no C1 H1 H11 92.6 . . . no C1 H1 H11 109.6 . . . no C1 H1 C2 138.0 4_465 4_465 4_465 no C1 H1 C3 161.4 4_465 4_465 4_465 no C1 H1 C4 146.8 4_465 4_465 4_465 no C1 H1 C5 108.4 4_465 4_465 4_465 no C1 H1 C6 116.6 4_465 4_465 4_465 no C1 H1 C7 43.3 4_465 4_465 4_465 no C1 H1 C11 77.8 4_465 4_465 4_465 no C1 H1 C12 63.2 4_465 4_465 4_465 no C1 H1 C12 88.0 4_465 4_465 4_465 no C1 H1 H2 105.5 4_465 4_465 4_465 no C1 H1 H3 112.8 4_465 4_465 4_465 no C1 H1 H3 136.5 4_465 4_465 4_465 no C1 H1 H4 86.3 4_465 4_465 4_465 no C1 H1 H5 94.5 4_465 4_465 4_465 no C1 H1 H6 113.0 4_465 4_465 4_465 no C1 H1 H7 119.5 4_465 4_465 4_465 no C1 H1 H10 64.0 4_465 4_465 4_465 no C1 H1 H11 66.7 4_465 4_465 4_465 no C1 H1 H11 85.6 4_465 4_465 4_465 no C2 H1 C3 31.7 . . . no C2 H1 C4 66.2 . . . no C2 H1 C5 32.4 . . . no C2 H1 C6 100.9 . . . no C2 H1 C7 99.7 . . . no C2 H1 C11 116.9 . . . no C2 H1 C12 87.4 . . . no C2 H1 C12 95.0 . . . no C2 H1 H2 32.5 . . . no C2 H1 H3 35.9 . . . no C2 H1 H3 56.9 . . . no C2 H1 H4 54.8 . . . no C2 H1 H5 117.3 . . . no C2 H1 H6 108.9 . . . no C2 H1 H7 96.5 . . . no C2 H1 H10 134.2 . . . no C2 H1 H11 95.3 . . . no C2 H1 H11 85.4 . . . no C3 H1 C4 34.6 . . . no C3 H1 C5 64.1 . . . no C3 H1 C6 69.2 . . . no C3 H1 C7 118.4 . . . no C3 H1 C11 119.9 . . . no C3 H1 C12 98.2 . . . no C3 H1 C12 106.5 . . . no C3 H1 H2 62.9 . . . no C3 H1 H3 64.9 . . . no C3 H1 H3 58.0 . . . no C3 H1 H4 86.4 . . . no C3 H1 H5 87.1 . . . no C3 H1 H6 79.3 . . . no C3 H1 H7 64.9 . . . no C3 H1 H10 134.5 . . . no C3 H1 H11 96.2 . . . no C3 H1 H11 104.7 . . . no C4 H1 C5 98.6 . . . no C4 H1 C6 34.8 . . . no C4 H1 C7 128.0 . . . no C4 H1 C11 114.5 . . . no C4 H1 C12 105.1 . . . no C4 H1 C12 115.8 . . . no C4 H1 H2 96.3 . . . no C4 H1 H3 98.4 . . . no C4 H1 H3 72.5 . . . no C4 H1 H4 120.9 . . . no C4 H1 H5 53.5 . . . no C4 H1 H6 48.7 . . . no C4 H1 H7 30.3 . . . no C4 H1 H10 119.7 . . . no C4 H1 H11 92.7 . . . no C4 H1 H11 124.0 . . . no C5 H1 C6 133.3 . . . no C5 H1 C7 80.1 . . . no C5 H1 C11 103.7 . . . no C5 H1 C12 78.8 . . . no C5 H1 C12 80.3 . . . no C5 H1 H2 13.4 . . . no C5 H1 H3 15.5 . . . no C5 H1 H3 65.1 . . . no C5 H1 H4 22.5 . . . no C5 H1 H5 147.8 . . . no C5 H1 H6 137.1 . . . no C5 H1 H7 128.9 . . . no C5 H1 H10 117.2 . . . no C5 H1 H11 94.6 . . . no C5 H1 H11 65.1 . . . no C6 H1 C7 125.9 . . . no C6 H1 C11 97.6 . . . no C6 H1 C12 110.2 . . . no C6 H1 C12 112.3 . . . no C6 H1 H2 130.5 . . . no C6 H1 H3 130.5 . . . no C6 H1 H3 89.1 . . . no C6 H1 H4 155.7 . . . no C6 H1 H5 24.0 . . . no C6 H1 H6 22.6 . . . no C6 H1 H7 5.7 . . . no C6 H1 H10 94.1 . . . no C6 H1 H11 91.8 . . . no C6 H1 H11 128.3 . . . no C7 H1 C11 116.1 4_465 4_465 4_465 no C7 H1 C12 23.1 4_465 4_465 4_465 no C7 H1 C12 115.0 4_465 4_465 4_465 no C7 H1 H2 71.1 4_465 4_465 4_465 no C7 H1 H3 92.5 4_465 4_465 4_465 no C7 H1 H3 142.8 4_465 4_465 4_465 no C7 H1 H4 64.7 4_465 4_465 4_465 no C7 H1 H5 103.7 4_465 4_465 4_465 no C7 H1 H6 140.0 4_465 4_465 4_465 no C7 H1 H7 123.9 4_465 4_465 4_465 no C7 H1 H10 105.8 4_465 4_465 4_465 no C7 H1 H11 36.7 4_465 4_465 4_465 no C7 H1 H11 102.7 4_465 4_465 4_465 no C11 H1 C12 139.1 3_675 3_675 3_675 no C11 H1 C12 23.7 3_675 3_675 3_675 no C11 H1 H2 116.3 3_675 3_675 3_675 no C11 H1 H3 89.9 3_675 3_675 3_675 no C11 H1 H3 63.7 3_675 3_675 3_675 no C11 H1 H4 95.2 3_675 3_675 3_675 no C11 H1 H5 103.0 3_675 3_675 3_675 no C11 H1 H6 75.1 3_675 3_675 3_675 no C11 H1 H7 102.8 3_675 3_675 3_675 no C11 H1 H10 17.5 3_675 3_675 3_675 no C11 H1 H11 143.8 3_675 3_675 3_675 no C11 H1 H11 39.0 3_675 3_675 3_675 no C12 H1 C12 136.2 4_465 4_465 4_465 no C12 H1 H2 66.6 4_465 4_465 4_465 no C12 H1 H3 93.9 4_465 4_465 4_465 no C12 H1 H3 142.6 4_465 4_465 4_465 no C12 H1 H4 71.5 4_465 4_465 4_465 no C12 H1 H5 92.4 4_465 4_465 4_465 no C12 H1 H6 130.3 4_465 4_465 4_465 no C12 H1 H7 106.6 4_465 4_465 4_465 no C12 H1 H10 127.2 4_465 4_465 4_465 no C12 H1 H11 18.9 4_465 4_465 4_465 no C12 H1 H11 121.4 4_465 4_465 4_465 no C12 H1 H2 93.1 3_675 3_675 3_675 no C12 H1 H3 66.2 3_675 3_675 3_675 no C12 H1 H3 48.7 3_675 3_675 3_675 no C12 H1 H4 74.5 3_675 3_675 3_675 no C12 H1 H5 123.9 3_675 3_675 3_675 no C12 H1 H6 90.2 3_675 3_675 3_675 no C12 H1 H7 116.5 3_675 3_675 3_675 no C12 H1 H10 39.7 3_675 3_675 3_675 no C12 H1 H11 151.4 3_675 3_675 3_675 no C12 H1 H11 17.2 3_675 3_675 3_675 no H2 H1 H3 28.8 . . . no H2 H1 H3 76.5 . . . no H2 H1 H4 26.3 . . . no H2 H1 H5 138.6 . . . no H2 H1 H6 141.4 . . . no H2 H1 H7 125.3 . . . no H2 H1 H10 128.4 . . . no H2 H1 H11 81.6 . . . no H2 H1 H11 77.4 . . . no H3 H1 H3 51.2 . . . no H3 H1 H4 28.8 . . . no H3 H1 H5 151.8 . . . no H3 H1 H6 127.0 . . . no H3 H1 H7 127.7 . . . no H3 H1 H10 104.9 . . . no H3 H1 H11 110.1 . . . no H3 H1 H11 52.5 . . . no H3 H1 H4 78.1 3_675 3_675 3_675 no H3 H1 H5 112.6 3_675 3_675 3_675 no H3 H1 H6 77.2 3_675 3_675 3_675 no H3 H1 H7 89.6 3_675 3_675 3_675 no H3 H1 H10 80.6 3_675 3_675 3_675 no H3 H1 H11 151.8 3_675 3_675 3_675 no H3 H1 H11 51.7 3_675 3_675 3_675 no H4 H1 H5 161.5 . . . no H4 H1 H6 155.3 . . . no H4 H1 H7 151.0 . . . no H4 H1 H10 104.0 . . . no H4 H1 H11 90.0 . . . no H4 H1 H11 57.4 . . . no H5 H1 H6 38.1 . . . no H5 H1 H7 25.3 . . . no H5 H1 H10 92.9 . . . no H5 H1 H11 73.6 . . . no H5 H1 H11 141.1 . . . no H6 H1 H7 27.7 . . . no H6 H1 H10 73.4 . . . no H6 H1 H11 111.4 . . . no H6 H1 H11 106.9 . . . no H7 H1 H10 99.8 . . . no H7 H1 H11 88.7 . . . no H7 H1 H11 131.9 . . . no H10 H1 H11 127.4 3_675 3_675 3_675 no H10 H1 H11 52.4 3_675 3_675 3_675 no H11 H1 H11 139.1 4_465 4_465 4_465 no N1 H2 C2 30.8 . . . no N1 H2 C3 45.8 . . . no N1 H2 C5 67.2 . . . no N1 H2 C7 30.3 . . . no N1 H2 C8 52.0 . . . no N1 H2 C8 126.1 . . . no N1 H2 C9 69.1 . . . no N1 H2 C9 136.7 . . . no N1 H2 C10 119.1 . . . no N1 H2 C11 96.7 . . . no N1 H2 C12 44.8 . . . no N1 H2 C12 93.4 . . . no N1 H2 C13 118.9 . . . no N1 H2 C18 99.5 . . . no N1 H2 C33 147.5 . . . no N1 H2 C34 138.2 . . . no N1 H2 H1 63.0 . . . no N1 H2 H3 75.5 . . . no N1 H2 H4 96.4 . . . no N1 H2 H5 134.0 . . . no N1 H2 H8 56.1 . . . no N1 H2 H9 152.0 . . . no N1 H2 H10 83.9 . . . no N1 H2 H11 42.1 . . . no N1 H2 H11 82.0 . . . no N1 H2 H16 83.3 . . . no N1 H2 H29 135.1 . . . no N1 H2 H30 120.2 . . . no C2 H2 C3 16.4 . . . no C2 H2 C5 42.2 . . . no C2 H2 C7 59.8 . . . no C2 H2 C8 82.7 . . . no C2 H2 C8 101.3 . . . no C2 H2 C9 99.9 . . . no C2 H2 C9 118.5 . . . no C2 H2 C10 112.9 . . . no C2 H2 C11 88.7 . . . no C2 H2 C12 67.8 . . . no C2 H2 C12 76.1 . . . no C2 H2 C13 126.8 . . . no C2 H2 C18 116.1 . . . no C2 H2 C33 167.4 . . . no C2 H2 C34 144.1 . . . no C2 H2 H1 32.8 . . . no C2 H2 H3 65.8 . . . no C2 H2 H4 66.1 . . . no C2 H2 H5 107.2 . . . no C2 H2 H8 82.9 . . . no C2 H2 H9 133.5 . . . no C2 H2 H10 83.2 . . . no C2 H2 H11 58.0 . . . no C2 H2 H11 55.7 . . . no C2 H2 H16 98.9 . . . no C2 H2 H29 165.8 . . . no C2 H2 H30 129.2 . . . no C3 H2 C5 39.8 . . . no C3 H2 C7 75.7 . . . no C3 H2 C8 96.2 . . . no C3 H2 C8 85.0 . . . no C3 H2 C9 114.6 . . . no C3 H2 C9 102.8 . . . no C3 H2 C10 100.5 . . . no C3 H2 C11 77.5 . . . no C3 H2 C12 84.0 . . . no C3 H2 C12 62.1 . . . no C3 H2 C13 118.8 . . . no C3 H2 C18 114.7 . . . no C3 H2 C33 164.4 . . . no C3 H2 C34 146.1 . . . no C3 H2 H1 17.2 . . . no C3 H2 H3 71.3 . . . no C3 H2 H4 54.0 . . . no C3 H2 H5 97.3 . . . no C3 H2 H8 92.2 . . . no C3 H2 H9 117.4 . . . no C3 H2 H10 75.8 . . . no C3 H2 H11 73.5 . . . no C3 H2 H11 50.1 . . . no C3 H2 H16 98.7 . . . no C3 H2 H29 174.1 . . . no C3 H2 H30 136.9 . . . no C5 H2 C7 86.9 . . . no C5 H2 C8 115.4 . . . no C5 H2 C8 89.8 . . . no C5 H2 C9 125.2 . . . no C5 H2 C9 110.2 . . . no C5 H2 C10 123.4 . . . no C5 H2 C11 107.7 . . . no C5 H2 C12 80.3 . . . no C5 H2 C12 87.4 . . . no C5 H2 C13 147.6 . . . no C5 H2 C18 153.9 . . . no C5 H2 C33 128.1 . . . no C5 H2 C34 106.4 . . . no C5 H2 H1 36.1 . . . no C5 H2 H3 35.6 . . . no C5 H2 H4 35.2 . . . no C5 H2 H5 67.0 . . . no C5 H2 H8 123.2 . . . no C5 H2 H9 116.4 . . . no C5 H2 H10 112.3 . . . no C5 H2 H11 65.3 . . . no C5 H2 H11 14.8 . . . no C5 H2 H16 138.5 . . . no C5 H2 H29 145.1 . . . no C5 H2 H30 98.5 . . . no C7 H2 C8 28.8 . . . no C7 H2 C8 153.4 . . . no C7 H2 C9 41.1 . . . no C7 H2 C9 151.9 . . . no C7 H2 C10 128.0 . . . no C7 H2 C11 113.5 . . . no C7 H2 C12 21.9 . . . no C7 H2 C12 118.3 . . . no C7 H2 C13 113.9 . . . no C7 H2 C18 91.4 . . . no C7 H2 C33 117.2 . . . no C7 H2 C34 112.2 . . . no C7 H2 H1 92.6 . . . no C7 H2 H3 77.7 . . . no C7 H2 H4 121.2 . . . no C7 H2 H5 142.4 . . . no C7 H2 H8 44.4 . . . no C7 H2 H9 155.8 . . . no C7 H2 H10 97.2 . . . no C7 H2 H11 30.5 . . . no C7 H2 H11 100.9 . . . no C7 H2 H16 80.6 . . . no C7 H2 H29 106.0 . . . no C7 H2 H30 95.9 . . . no C8 H2 C8 141.6 . . . no C8 H2 C9 19.4 . . . no C8 H2 C9 127.6 . . . no C8 H2 C10 104.9 . . . no C8 H2 C11 99.5 . . . no C8 H2 C12 42.6 . . . no C8 H2 C12 113.5 . . . no C8 H2 C13 86.5 . . . no C8 H2 C18 64.4 . . . no C8 H2 C33 98.9 . . . no C8 H2 C34 104.9 . . . no C8 H2 H1 113.2 . . . no C8 H2 H3 103.3 . . . no C8 H2 H4 148.3 . . . no C8 H2 H5 158.0 . . . no C8 H2 H8 21.6 . . . no C8 H2 H9 127.2 . . . no C8 H2 H10 83.0 . . . no C8 H2 H11 56.1 . . . no C8 H2 H11 129.6 . . . no C8 H2 H16 57.1 . . . no C8 H2 H29 83.5 . . . no C8 H2 H30 94.5 . . . no C8 H2 C9 143.7 4_465 4_465 4_465 no C8 H2 C9 20.7 4_465 4_465 4_465 no C8 H2 C10 38.1 4_465 4_465 4_465 no C8 H2 C11 43.1 4_465 4_465 4_465 no C8 H2 C12 168.8 4_465 4_465 4_465 no C8 H2 C12 35.2 4_465 4_465 4_465 no C8 H2 C13 60.3 4_465 4_465 4_465 no C8 H2 C18 80.2 4_465 4_465 4_465 no C8 H2 C33 85.3 4_465 4_465 4_465 no C8 H2 C34 94.0 4_465 4_465 4_465 no C8 H2 H1 70.0 4_465 4_465 4_465 no C8 H2 H3 113.3 4_465 4_465 4_465 no C8 H2 H4 55.7 4_465 4_465 4_465 no C8 H2 H5 57.3 4_465 4_465 4_465 no C8 H2 H8 120.1 4_465 4_465 4_465 no C8 H2 H9 32.6 4_465 4_465 4_465 no C8 H2 H10 59.9 4_465 4_465 4_465 no C8 H2 H11 154.8 4_465 4_465 4_465 no C8 H2 H11 79.5 4_465 4_465 4_465 no C8 H2 H16 84.6 4_465 4_465 4_465 no C8 H2 H29 91.6 4_465 4_465 4_465 no C8 H2 H30 110.7 4_465 4_465 4_465 no C9 H2 C9 124.2 . . . no C9 H2 C10 106.0 . . . no C9 H2 C11 108.7 . . . no C9 H2 C12 45.1 . . . no C9 H2 C12 126.6 . . . no C9 H2 C13 83.4 . . . no C9 H2 C18 64.0 . . . no C9 H2 C33 80.2 . . . no C9 H2 C34 85.7 . . . no C9 H2 H1 131.8 . . . no C9 H2 H3 102.3 . . . no C9 H2 H4 160.3 . . . no C9 H2 H5 140.4 . . . no C9 H2 H8 35.1 . . . no C9 H2 H9 117.8 . . . no C9 H2 H10 94.0 . . . no C9 H2 H11 60.3 . . . no C9 H2 H11 136.7 . . . no C9 H2 H16 63.1 . . . no C9 H2 H29 66.0 . . . no C9 H2 H30 76.6 . . . no C9 H2 C10 24.0 4_465 4_465 4_465 no C9 H2 C11 41.0 4_465 4_465 4_465 no C9 H2 C12 169.4 4_465 4_465 4_465 no C9 H2 C12 44.1 4_465 4_465 4_465 no C9 H2 C13 41.7 4_465 4_465 4_465 no C9 H2 C18 63.3 4_465 4_465 4_465 no C9 H2 C33 70.3 4_465 4_465 4_465 no C9 H2 C34 85.0 4_465 4_465 4_465 no C9 H2 H1 89.4 4_465 4_465 4_465 no C9 H2 H3 129.0 4_465 4_465 4_465 no C9 H2 H4 75.5 4_465 4_465 4_465 no C9 H2 H5 65.6 4_465 4_465 4_465 no C9 H2 H8 108.5 4_465 4_465 4_465 no C9 H2 H9 16.0 4_465 4_465 4_465 no C9 H2 H10 56.1 4_465 4_465 4_465 no C9 H2 H11 175.4 4_465 4_465 4_465 no C9 H2 H11 98.9 4_465 4_465 4_465 no C9 H2 H16 71.9 4_465 4_465 4_465 no C9 H2 H29 73.0 4_465 4_465 4_465 no C9 H2 H30 103.1 4_465 4_465 4_465 no C10 H2 C11 24.4 4_465 4_465 4_465 no C10 H2 C12 147.4 4_465 4_465 4_465 no C10 H2 C12 39.0 4_465 4_465 4_465 no C10 H2 C13 24.2 4_465 4_465 4_465 no C10 H2 C18 42.1 4_465 4_465 4_465 no C10 H2 C33 78.8 4_465 4_465 4_465 no C10 H2 C34 99.2 4_465 4_465 4_465 no C10 H2 H1 92.7 4_465 4_465 4_465 no C10 H2 H3 151.4 4_465 4_465 4_465 no C10 H2 H4 92.6 4_465 4_465 4_465 no C10 H2 H5 89.6 4_465 4_465 4_465 no C10 H2 H8 84.9 4_465 4_465 4_465 no C10 H2 H9 34.0 4_465 4_465 4_465 no C10 H2 H10 35.2 4_465 4_465 4_465 no C10 H2 H11 158.1 4_465 4_465 4_465 no C10 H2 H11 116.2 4_465 4_465 4_465 no C10 H2 H16 48.2 4_465 4_465 4_465 no C10 H2 H29 73.9 4_465 4_465 4_465 no C10 H2 H30 116.7 4_465 4_465 4_465 no C11 H2 C12 135.4 4_465 4_465 4_465 no C11 H2 C12 20.8 4_465 4_465 4_465 no C11 H2 C13 42.2 4_465 4_465 4_465 no C11 H2 C18 49.7 4_465 4_465 4_465 no C11 H2 C33 103.2 4_465 4_465 4_465 no C11 H2 C34 123.3 4_465 4_465 4_465 no C11 H2 H1 72.8 4_465 4_465 4_465 no C11 H2 H3 142.9 4_465 4_465 4_465 no C11 H2 H4 85.6 4_465 4_465 4_465 no C11 H2 H5 100.4 4_465 4_465 4_465 no C11 H2 H8 77.8 4_465 4_465 4_465 no C11 H2 H9 55.3 4_465 4_465 4_465 no C11 H2 H10 16.8 4_465 4_465 4_465 no C11 H2 H11 138.6 4_465 4_465 4_465 no C11 H2 H11 106.0 4_465 4_465 4_465 no C11 H2 H16 45.7 4_465 4_465 4_465 no C11 H2 H29 96.8 4_465 4_465 4_465 no C11 H2 H30 141.0 4_465 4_465 4_465 no C12 H2 C12 137.9 . . . no C12 H2 C13 127.8 . . . no C12 H2 C18 106.5 . . . no C12 H2 C33 105.0 . . . no C12 H2 C34 93.9 . . . no C12 H2 H1 98.8 . . . no C12 H2 H3 60.7 . . . no C12 H2 H4 115.1 . . . no C12 H2 H5 122.1 . . . no C12 H2 H8 62.6 . . . no C12 H2 H9 158.6 . . . no C12 H2 H10 119.1 . . . no C12 H2 H11 15.1 . . . no C12 H2 H11 91.7 . . . no C12 H2 H16 99.2 . . . no C12 H2 H29 99.5 . . . no C12 H2 H30 76.3 . . . no C12 H2 C13 61.2 4_465 4_465 4_465 no C12 H2 C18 70.5 4_465 4_465 4_465 no C12 H2 C33 114.1 4_465 4_465 4_465 no C12 H2 C34 128.2 4_465 4_465 4_465 no C12 H2 H1 53.9 4_465 4_465 4_465 no C12 H2 H3 122.2 4_465 4_465 4_465 no C12 H2 H4 65.5 4_465 4_465 4_465 no C12 H2 H5 88.3 4_465 4_465 4_465 no C12 H2 H8 92.8 4_465 4_465 4_465 no C12 H2 H9 60.1 4_465 4_465 4_465 no C12 H2 H10 32.8 4_465 4_465 4_465 no C12 H2 H11 133.3 4_465 4_465 4_465 no C12 H2 H11 85.2 4_465 4_465 4_465 no C12 H2 H16 65.1 4_465 4_465 4_465 no C12 H2 H29 112.7 4_465 4_465 4_465 no C12 H2 H30 145.7 4_465 4_465 4_465 no C13 H2 C18 22.5 4_465 4_465 4_465 no C13 H2 C33 65.8 4_465 4_465 4_465 no C13 H2 C34 89.1 4_465 4_465 4_465 no C13 H2 H1 114.8 4_465 4_465 4_465 no C13 H2 H3 165.6 4_465 4_465 4_465 no C13 H2 H4 116.0 4_465 4_465 4_465 no C13 H2 H5 102.0 4_465 4_465 4_465 no C13 H2 H8 69.8 4_465 4_465 4_465 no C13 H2 H9 42.5 4_465 4_465 4_465 no C13 H2 H10 43.7 4_465 4_465 4_465 no C13 H2 H11 142.4 4_465 4_465 4_465 no C13 H2 H11 139.8 4_465 4_465 4_465 no C13 H2 H16 36.0 4_465 4_465 4_465 no C13 H2 H29 55.4 4_465 4_465 4_465 no C13 H2 H30 103.4 4_465 4_465 4_465 no C18 H2 C33 75.4 4_465 4_465 4_465 no C18 H2 C34 98.3 4_465 4_465 4_465 no C18 H2 H1 118.2 4_465 4_465 4_465 no C18 H2 H3 166.2 4_465 4_465 4_465 no C18 H2 H4 133.8 4_465 4_465 4_465 no C18 H2 H5 124.0 4_465 4_465 4_465 no C18 H2 H8 47.4 4_465 4_465 4_465 no C18 H2 H9 64.9 4_465 4_465 4_465 no C18 H2 H10 42.1 4_465 4_465 4_465 no C18 H2 H11 120.5 4_465 4_465 4_465 no C18 H2 H11 155.7 4_465 4_465 4_465 no C18 H2 H16 17.3 4_465 4_465 4_465 no C18 H2 H29 59.9 4_465 4_465 4_465 no C18 H2 H30 107.6 4_465 4_465 4_465 no C33 H2 C34 23.5 4_475 4_475 4_475 no C33 H2 H1 147.9 4_475 4_475 4_475 no C33 H2 H3 101.7 4_475 4_475 4_475 no C33 H2 H4 110.4 4_475 4_475 4_475 no C33 H2 H5 67.2 4_475 4_475 4_475 no C33 H2 H8 103.2 4_475 4_475 4_475 no C33 H2 H9 54.6 4_475 4_475 4_475 no C33 H2 H10 109.3 4_475 4_475 4_475 no C33 H2 H11 112.6 4_475 4_475 4_475 no C33 H2 H11 116.0 4_475 4_475 4_475 no C33 H2 H16 92.4 4_475 4_475 4_475 no C33 H2 H29 18.0 4_475 4_475 4_475 no C33 H2 H30 38.4 4_475 4_475 4_475 no C34 H2 H1 135.5 4_475 4_475 4_475 no C34 H2 H3 78.3 4_475 4_475 4_475 no C34 H2 H4 97.9 4_475 4_475 4_475 no C34 H2 H5 55.6 4_475 4_475 4_475 no C34 H2 H8 116.9 4_475 4_475 4_475 no C34 H2 H9 69.3 4_475 4_475 4_475 no C34 H2 H10 132.1 4_475 4_475 4_475 no C34 H2 H11 96.7 4_475 4_475 4_475 no C34 H2 H11 96.3 4_475 4_475 4_475 no C34 H2 H16 114.9 4_475 4_475 4_475 no C34 H2 H29 38.7 4_475 4_475 4_475 no C34 H2 H30 18.2 4_475 4_475 4_475 no H1 H2 H3 71.4 . . . no H1 H2 H4 38.4 . . . no H1 H2 H5 82.0 . . . no H1 H2 H8 106.8 . . . no H1 H2 H9 102.6 . . . no H1 H2 H10 76.2 . . . no H1 H2 H11 86.4 . . . no H1 H2 H11 41.1 . . . no H1 H2 H16 104.9 . . . no H1 H2 H29 161.2 . . . no H1 H2 H30 133.2 . . . no H3 H2 H4 60.0 . . . no H3 H2 H5 65.2 . . . no H3 H2 H8 122.1 . . . no H3 H2 H9 124.8 . . . no H3 H2 H10 147.0 . . . no H3 H2 H11 47.6 . . . no H3 H2 H11 37.5 . . . no H3 H2 H16 157.8 . . . no H3 H2 H29 114.5 . . . no H3 H2 H30 65.7 . . . no H4 H2 H5 43.5 . . . no H4 H2 H8 145.1 . . . no H4 H2 H9 81.3 . . . no H4 H2 H10 97.8 . . . no H4 H2 H11 100.0 . . . no H4 H2 H11 23.8 . . . no H4 H2 H16 130.4 . . . no H4 H2 H29 127.2 . . . no H4 H2 H30 101.0 . . . no H5 H2 H8 169.8 2 2 2 no H5 H2 H9 59.7 2 2 2 no H5 H2 H10 117.2 2 2 2 no H5 H2 H11 111.9 2 2 2 no H5 H2 H11 52.3 2 2 2 no H5 H2 H16 136.9 2 2 2 no H5 H2 H29 84.8 2 2 2 no H5 H2 H30 63.9 2 2 2 no H8 H2 H9 112.3 . . . no H8 H2 H10 61.5 . . . no H8 H2 H11 74.5 . . . no H8 H2 H11 137.9 . . . no H8 H2 H16 36.7 . . . no H8 H2 H29 85.5 . . . no H8 H2 H30 111.2 . . . no H9 H2 H10 68.9 4_465 4_465 4_465 no H9 H2 H11 165.9 4_465 4_465 4_465 no H9 H2 H11 102.9 4_465 4_465 4_465 no H9 H2 H16 77.4 4_465 4_465 4_465 no H9 H2 H29 59.0 4_465 4_465 4_465 no H9 H2 H30 87.5 4_465 4_465 4_465 no H10 H2 H11 124.4 4_465 4_465 4_465 no H10 H2 H11 114.8 4_465 4_465 4_465 no H10 H2 H16 32.7 4_465 4_465 4_465 no H10 H2 H29 98.3 4_465 4_465 4_465 no H10 H2 H30 147.0 4_465 4_465 4_465 no H11 H2 H11 76.7 . . . no H11 H2 H16 111.0 . . . no H11 H2 H29 110.9 . . . no H11 H2 H30 78.5 . . . no H11 H2 H16 145.8 3_675 3_675 3_675 no H11 H2 H29 133.8 3_675 3_675 3_675 no H11 H2 H30 92.1 3_675 3_675 3_675 no H16 H2 H29 76.2 4_465 4_465 4_465 no H16 H2 H30 121.9 4_465 4_465 4_465 no H29 H2 H30 48.8 4_475 4_475 4_475 no N1 H3 N1 120.6 . . . no N1 H3 C1 140.8 . . . no N1 H3 C2 28.5 . . . no N1 H3 C2 105.1 . . . no N1 H3 C3 46.2 . . . no N1 H3 C3 109.7 . . . no N1 H3 C4 129.6 . . . no N1 H3 C5 60.6 . . . no N1 H3 C5 82.1 . . . no N1 H3 C7 28.5 . . . no N1 H3 C8 41.4 . . . no N1 H3 C11 65.4 . . . no N1 H3 C12 49.4 . . . no N1 H3 C12 104.3 . . . no N1 H3 C34 127.8 . . . no N1 H3 H1 63.9 . . . no N1 H3 H1 97.2 . . . no N1 H3 H2 67.2 . . . no N1 H3 H3 71.0 . . . no N1 H3 H4 91.8 . . . no N1 H3 H5 145.2 . . . no N1 H3 H11 53.6 . . . no N1 H3 H11 105.8 . . . no N1 H3 H30 122.3 . . . no N1 H3 C1 20.7 3_675 3_675 3_675 no N1 H3 C2 115.1 3_675 3_675 3_675 no N1 H3 C2 23.3 3_675 3_675 3_675 no N1 H3 C3 100.0 3_675 3_675 3_675 no N1 H3 C3 40.1 3_675 3_675 3_675 no N1 H3 C4 42.7 3_675 3_675 3_675 no N1 H3 C5 134.6 3_675 3_675 3_675 no N1 H3 C5 40.1 3_675 3_675 3_675 no N1 H3 C7 127.3 3_675 3_675 3_675 no N1 H3 C8 145.0 3_675 3_675 3_675 no N1 H3 C11 106.5 3_675 3_675 3_675 no N1 H3 C12 105.5 3_675 3_675 3_675 no N1 H3 C12 39.4 3_675 3_675 3_675 no N1 H3 C34 107.0 3_675 3_675 3_675 no N1 H3 H1 93.1 3_675 3_675 3_675 no N1 H3 H1 54.3 3_675 3_675 3_675 no N1 H3 H2 165.9 3_675 3_675 3_675 no N1 H3 H3 49.6 3_675 3_675 3_675 no N1 H3 H4 106.7 3_675 3_675 3_675 no N1 H3 H5 80.3 3_675 3_675 3_675 no N1 H3 H11 86.4 3_675 3_675 3_675 no N1 H3 H11 48.2 3_675 3_675 3_675 no N1 H3 H30 104.6 3_675 3_675 3_675 no C1 H3 C2 134.0 3_675 3_675 3_675 no C1 H3 C2 37.4 3_675 3_675 3_675 no C1 H3 C3 116.7 3_675 3_675 3_675 no C1 H3 C3 42.7 3_675 3_675 3_675 no C1 H3 C4 33.8 3_675 3_675 3_675 no C1 H3 C5 138.9 3_675 3_675 3_675 no C1 H3 C5 59.0 3_675 3_675 3_675 no C1 H3 C7 140.4 3_675 3_675 3_675 no C1 H3 C8 151.1 3_675 3_675 3_675 no C1 H3 C11 108.6 3_675 3_675 3_675 no C1 H3 C12 114.3 3_675 3_675 3_675 no C1 H3 C12 51.2 3_675 3_675 3_675 no C1 H3 C34 86.7 3_675 3_675 3_675 no C1 H3 H1 105.8 3_675 3_675 3_675 no C1 H3 H1 58.3 3_675 3_675 3_675 no C1 H3 H2 151.4 3_675 3_675 3_675 no C1 H3 H3 70.0 3_675 3_675 3_675 no C1 H3 H4 104.8 3_675 3_675 3_675 no C1 H3 H5 64.9 3_675 3_675 3_675 no C1 H3 H11 98.7 3_675 3_675 3_675 no C1 H3 H11 56.6 3_675 3_675 3_675 no C1 H3 H30 86.1 3_675 3_675 3_675 no C2 H3 C2 110.7 . . . no C2 H3 C3 19.4 . . . no C2 H3 C3 125.7 . . . no C2 H3 C4 146.7 . . . no C2 H3 C5 41.5 . . . no C2 H3 C5 87.1 . . . no C2 H3 C7 56.1 . . . no C2 H3 C8 63.6 . . . no C2 H3 C11 93.8 . . . no C2 H3 C12 77.6 . . . no C2 H3 C12 84.6 . . . no C2 H3 C34 136.9 . . . no C2 H3 H1 36.0 . . . no C2 H3 H1 118.0 . . . no C2 H3 H2 65.4 . . . no C2 H3 H3 71.8 . . . no C2 H3 H4 65.9 . . . no C2 H3 H5 119.6 . . . no C2 H3 H11 78.1 . . . no C2 H3 H11 82.5 . . . no C2 H3 H30 139.9 . . . no C2 H3 C3 102.0 3_675 3_675 3_675 no C2 H3 C3 23.2 3_675 3_675 3_675 no C2 H3 C4 37.7 3_675 3_675 3_675 no C2 H3 C5 145.7 3_675 3_675 3_675 no C2 H3 C5 24.1 3_675 3_675 3_675 no C2 H3 C7 105.0 3_675 3_675 3_675 no C2 H3 C8 121.8 3_675 3_675 3_675 no C2 H3 C11 84.2 3_675 3_675 3_675 no C2 H3 C12 82.1 3_675 3_675 3_675 no C2 H3 C12 56.1 3_675 3_675 3_675 no C2 H3 C34 111.5 3_675 3_675 3_675 no C2 H3 H1 102.2 3_675 3_675 3_675 no C2 H3 H1 33.7 3_675 3_675 3_675 no C2 H3 H2 170.5 3_675 3_675 3_675 no C2 H3 H3 38.9 3_675 3_675 3_675 no C2 H3 H4 127.4 3_675 3_675 3_675 no C2 H3 H5 101.8 3_675 3_675 3_675 no C2 H3 H11 63.4 3_675 3_675 3_675 no C2 H3 H11 66.7 3_675 3_675 3_675 no C2 H3 H30 103.4 3_675 3_675 3_675 no C3 H3 C3 122.2 . . . no C3 H3 C4 139.5 . . . no C3 H3 C5 44.6 . . . no C3 H3 C5 81.1 . . . no C3 H3 C7 74.6 . . . no C3 H3 C8 83.0 . . . no C3 H3 C11 110.8 . . . no C3 H3 C12 93.2 . . . no C3 H3 C12 65.9 . . . no C3 H3 C34 145.2 . . . no C3 H3 H1 18.0 . . . no C3 H3 H1 120.4 . . . no C3 H3 H2 76.9 . . . no C3 H3 H3 65.1 . . . no C3 H3 H4 56.5 . . . no C3 H3 H5 106.6 . . . no C3 H3 H11 88.6 . . . no C3 H3 H11 63.2 . . . no C3 H3 H30 154.3 . . . no C3 H3 C4 21.3 3_675 3_675 3_675 no C3 H3 C5 166.7 3_675 3_675 3_675 no C3 H3 C5 41.2 3_675 3_675 3_675 no C3 H3 C7 98.2 3_675 3_675 3_675 no C3 H3 C8 109.5 3_675 3_675 3_675 no C3 H3 C11 67.5 3_675 3_675 3_675 no C3 H3 C12 71.6 3_675 3_675 3_675 no C3 H3 C12 77.9 3_675 3_675 3_675 no C3 H3 C34 92.5 3_675 3_675 3_675 no C3 H3 H1 125.1 3_675 3_675 3_675 no C3 H3 H1 15.6 3_675 3_675 3_675 no C3 H3 H2 152.1 3_675 3_675 3_675 no C3 H3 H3 57.2 3_675 3_675 3_675 no C3 H3 H4 146.3 3_675 3_675 3_675 no C3 H3 H5 103.8 3_675 3_675 3_675 no C3 H3 H11 57.9 3_675 3_675 3_675 no C3 H3 H11 87.8 3_675 3_675 3_675 no C3 H3 H30 82.2 3_675 3_675 3_675 no C4 H3 C5 169.8 3_675 3_675 3_675 no C4 H3 C5 60.2 3_675 3_675 3_675 no C4 H3 C7 112.5 3_675 3_675 3_675 no C4 H3 C8 117.7 3_675 3_675 3_675 no C4 H3 C11 75.9 3_675 3_675 3_675 no C4 H3 C12 85.5 3_675 3_675 3_675 no C4 H3 C12 81.7 3_675 3_675 3_675 no C4 H3 C34 73.9 3_675 3_675 3_675 no C4 H3 H1 135.9 3_675 3_675 3_675 no C4 H3 H1 32.3 3_675 3_675 3_675 no C4 H3 H2 143.3 3_675 3_675 3_675 no C4 H3 H3 75.9 3_675 3_675 3_675 no C4 H3 H4 135.6 3_675 3_675 3_675 no C4 H3 H5 85.0 3_675 3_675 3_675 no C4 H3 H11 76.2 3_675 3_675 3_675 no C4 H3 H11 89.1 3_675 3_675 3_675 no C4 H3 H30 66.1 3_675 3_675 3_675 no C5 H3 C5 125.6 . . . no C5 H3 C7 77.1 . . . no C5 H3 C8 70.0 . . . no C5 H3 C11 112.4 . . . no C5 H3 C12 104.1 . . . no C5 H3 C12 95.2 . . . no C5 H3 C34 100.7 . . . no C5 H3 H1 43.8 . . . no C5 H3 H1 157.8 . . . no C5 H3 H2 36.2 . . . no C5 H3 H3 109.6 . . . no C5 H3 H4 34.9 . . . no C5 H3 H5 84.8 . . . no C5 H3 H11 114.0 . . . no C5 H3 H11 86.5 . . . no C5 H3 H30 110.5 . . . no C5 H3 C7 88.2 3_675 3_675 3_675 no C5 H3 C8 107.7 3_675 3_675 3_675 no C5 H3 C11 80.8 3_675 3_675 3_675 no C5 H3 C12 71.6 3_675 3_675 3_675 no C5 H3 C12 55.2 3_675 3_675 3_675 no C5 H3 C34 133.6 3_675 3_675 3_675 no C5 H3 H1 85.9 3_675 3_675 3_675 no C5 H3 H1 43.3 3_675 3_675 3_675 no C5 H3 H2 149.3 3_675 3_675 3_675 no C5 H3 H3 16.0 3_675 3_675 3_675 no C5 H3 H4 122.4 3_675 3_675 3_675 no C5 H3 H5 119.5 3_675 3_675 3_675 no C5 H3 H11 50.9 3_675 3_675 3_675 no C5 H3 H11 66.1 3_675 3_675 3_675 no C5 H3 H30 123.0 3_675 3_675 3_675 no C7 H3 C8 20.1 . . . no C7 H3 C11 38.8 . . . no C7 H3 C12 27.1 . . . no C7 H3 C12 128.7 . . . no C7 H3 C34 104.4 . . . no C7 H3 H1 92.0 . . . no C7 H3 H1 82.9 . . . no C7 H3 H2 65.5 . . . no C7 H3 H3 83.6 . . . no C7 H3 H4 111.9 . . . no C7 H3 H5 152.2 . . . no C7 H3 H11 41.9 . . . no C7 H3 H11 132.8 . . . no C7 H3 H30 95.7 . . . no C8 H3 C11 42.5 . . . no C8 H3 C12 39.7 . . . no C8 H3 C12 145.7 . . . no C8 H3 C34 87.1 . . . no C8 H3 H1 98.0 . . . no C8 H3 H1 94.0 . . . no C8 H3 H2 48.8 . . . no C8 H3 H3 103.7 . . . no C8 H3 H4 103.8 . . . no C8 H3 H5 132.6 . . . no C8 H3 H11 58.7 . . . no C8 H3 H11 146.1 . . . no C8 H3 H30 81.0 . . . no C11 H3 C12 18.4 . . . no C11 H3 C12 136.0 . . . no C11 H3 C34 82.4 . . . no C11 H3 H1 128.8 . . . no C11 H3 H1 52.4 . . . no C11 H3 H2 87.3 . . . no C11 H3 H3 86.7 . . . no C11 H3 H4 146.1 . . . no C11 H3 H5 139.9 . . . no C11 H3 H11 33.7 . . . no C11 H3 H11 146.8 . . . no C11 H3 H30 69.0 . . . no C12 H3 C12 124.5 . . . no C12 H3 C34 100.2 . . . no C12 H3 H1 111.2 . . . no C12 H3 H1 56.1 . . . no C12 H3 H2 88.4 . . . no C12 H3 H3 73.6 . . . no C12 H3 H4 138.9 . . . no C12 H3 H5 158.2 . . . no C12 H3 H11 20.8 . . . no C12 H3 H11 133.8 . . . no C12 H3 H30 87.1 . . . no C12 H3 C34 126.7 3_675 3_675 3_675 no C12 H3 H1 54.9 3_675 3_675 3_675 no C12 H3 H1 89.8 3_675 3_675 3_675 no C12 H3 H2 130.0 3_675 3_675 3_675 no C12 H3 H3 51.0 3_675 3_675 3_675 no C12 H3 H4 71.6 3_675 3_675 3_675 no C12 H3 H5 73.3 3_675 3_675 3_675 no C12 H3 H11 104.3 3_675 3_675 3_675 no C12 H3 H11 11.1 3_675 3_675 3_675 no C12 H3 H30 133.2 3_675 3_675 3_675 no C34 H3 H1 136.5 4_475 4_475 4_475 no C34 H3 H1 93.4 4_475 4_475 4_475 no C34 H3 H2 71.6 4_475 4_475 4_475 no C34 H3 H3 149.6 4_475 4_475 4_475 no C34 H3 H4 94.2 4_475 4_475 4_475 no C34 H3 H5 58.3 4_475 4_475 4_475 no C34 H3 H11 114.3 4_475 4_475 4_475 no C34 H3 H11 122.1 4_475 4_475 4_475 no C34 H3 H30 14.6 4_475 4_475 4_475 no H1 H3 H1 128.8 . . . no H1 H3 H2 79.7 . . . no H1 H3 H3 70.8 . . . no H1 H3 H4 42.5 . . . no H1 H3 H5 89.1 . . . no H1 H3 H11 104.9 . . . no H1 H3 H11 49.4 . . . no H1 H3 H30 150.2 . . . no H1 H3 H2 139.1 3_675 3_675 3_675 no H1 H3 H3 58.0 3_675 3_675 3_675 no H1 H3 H4 160.9 3_675 3_675 3_675 no H1 H3 H5 117.3 3_675 3_675 3_675 no H1 H3 H11 43.9 3_675 3_675 3_675 no H1 H3 H11 100.4 3_675 3_675 3_675 no H1 H3 H30 80.7 3_675 3_675 3_675 no H2 H3 H3 136.2 . . . no H2 H3 H4 60.0 . . . no H2 H3 H5 87.5 . . . no H2 H3 H11 107.1 . . . no H2 H3 H11 120.0 . . . no H2 H3 H30 77.5 . . . no H3 H3 H4 110.1 3_675 3_675 3_675 no H3 H3 H5 122.7 3_675 3_675 3_675 no H3 H3 H11 53.6 3_675 3_675 3_675 no H3 H3 H11 60.7 3_675 3_675 3_675 no H3 H3 H30 138.6 3_675 3_675 3_675 no H4 H3 H5 53.9 . . . no H4 H3 H11 143.9 . . . no H4 H3 H11 60.9 . . . no H4 H3 H30 108.5 . . . no H5 H3 H11 161.2 2 2 2 no H5 H3 H11 65.6 2 2 2 no H5 H3 H30 71.1 2 2 2 no H11 H3 H11 114.3 . . . no H11 H3 H30 99.9 . . . no H11 H3 H30 131.5 3_675 3_675 3_675 no O1 H4 N1 118.8 4_465 4_465 4_465 no O1 H4 C1 11.8 4_465 4_465 4_465 no O1 H4 C2 105.1 4_465 4_465 4_465 no O1 H4 C3 74.5 4_465 4_465 4_465 no O1 H4 C5 145.7 4_465 4_465 4_465 no O1 H4 C6 77.2 4_465 4_465 4_465 no O1 H4 C7 139.5 4_465 4_465 4_465 no O1 H4 C7 51.6 4_465 4_465 4_465 no O1 H4 C8 65.6 4_465 4_465 4_465 no O1 H4 C9 89.5 4_465 4_465 4_465 no O1 H4 C10 99.0 4_465 4_465 4_465 no O1 H4 C11 88.1 4_465 4_465 4_465 no O1 H4 C12 66.2 4_465 4_465 4_465 no O1 H4 C12 61.7 4_465 4_465 4_465 no O1 H4 C34 141.6 4_465 4_465 4_465 no O1 H4 H1 50.4 4_465 4_465 4_465 no O1 H4 H2 152.9 4_465 4_465 4_465 no O1 H4 H3 141.6 4_465 4_465 4_465 no O1 H4 H5 86.1 4_465 4_465 4_465 no O1 H4 H7 77.2 4_465 4_465 4_465 no O1 H4 H8 60.6 4_465 4_465 4_465 no O1 H4 H9 97.6 4_465 4_465 4_465 no O1 H4 H11 61.5 4_465 4_465 4_465 no O1 H4 H30 152.9 4_465 4_465 4_465 no N1 H4 C1 118.1 . . . no N1 H4 C2 13.8 . . . no N1 H4 C3 44.4 . . . no N1 H4 C5 27.9 . . . no N1 H4 C6 163.1 . . . no N1 H4 C7 20.6 . . . no N1 H4 C7 111.6 . . . no N1 H4 C8 125.8 . . . no N1 H4 C9 113.3 . . . no N1 H4 C10 91.3 . . . no N1 H4 C11 80.1 . . . no N1 H4 C12 88.9 . . . no N1 H4 C12 96.6 . . . no N1 H4 C34 99.5 . . . no N1 H4 H1 68.5 . . . no N1 H4 H2 52.3 . . . no N1 H4 H3 56.7 . . . no N1 H4 H5 151.8 . . . no N1 H4 H7 160.9 . . . no N1 H4 H8 142.1 . . . no N1 H4 H9 118.8 . . . no N1 H4 H11 99.0 . . . no N1 H4 H30 86.6 . . . no C1 H4 C2 105.2 4_465 4_465 4_465 no C1 H4 C3 75.4 4_465 4_465 4_465 no C1 H4 C5 146.0 4_465 4_465 4_465 no C1 H4 C6 78.7 4_465 4_465 4_465 no C1 H4 C7 138.2 4_465 4_465 4_465 no C1 H4 C7 39.9 4_465 4_465 4_465 no C1 H4 C8 55.5 4_465 4_465 4_465 no C1 H4 C9 79.0 4_465 4_465 4_465 no C1 H4 C10 87.3 4_465 4_465 4_465 no C1 H4 C11 76.5 4_465 4_465 4_465 no C1 H4 C12 54.9 4_465 4_465 4_465 no C1 H4 C12 73.4 4_465 4_465 4_465 no C1 H4 C34 140.6 4_465 4_465 4_465 no C1 H4 H1 52.1 4_465 4_465 4_465 no C1 H4 H2 142.0 4_465 4_465 4_465 no C1 H4 H3 152.6 4_465 4_465 4_465 no C1 H4 H5 89.1 4_465 4_465 4_465 no C1 H4 H7 75.3 4_465 4_465 4_465 no C1 H4 H8 53.0 4_465 4_465 4_465 no C1 H4 H9 88.4 4_465 4_465 4_465 no C1 H4 H11 73.3 4_465 4_465 4_465 no C1 H4 H30 155.1 4_465 4_465 4_465 no C2 H4 C3 30.6 . . . no C2 H4 C5 41.1 . . . no C2 H4 C6 171.9 . . . no C2 H4 C7 34.4 . . . no C2 H4 C7 105.5 . . . no C2 H4 C8 124.2 . . . no C2 H4 C9 117.7 . . . no C2 H4 C10 95.8 . . . no C2 H4 C11 80.6 . . . no C2 H4 C12 84.3 . . . no C2 H4 C12 88.1 . . . no C2 H4 C34 113.1 . . . no C2 H4 H1 54.8 . . . no C2 H4 H2 65.2 . . . no C2 H4 H3 65.5 . . . no C2 H4 H5 160.6 . . . no C2 H4 H7 171.0 . . . no C2 H4 H8 139.3 . . . no C2 H4 H9 126.4 . . . no C2 H4 H11 90.7 . . . no C2 H4 H30 99.7 . . . no C3 H4 C5 71.5 . . . no C3 H4 C6 150.4 . . . no C3 H4 C7 65.0 . . . no C3 H4 C7 86.9 . . . no C3 H4 C8 110.6 . . . no C3 H4 C9 117.9 . . . no C3 H4 C10 101.2 . . . no C3 H4 C11 80.2 . . . no C3 H4 C12 72.4 . . . no C3 H4 C12 73.0 . . . no C3 H4 C34 143.7 . . . no C3 H4 H1 24.1 . . . no C3 H4 H2 93.2 . . . no C3 H4 H3 89.7 . . . no C3 H4 H5 154.6 . . . no C3 H4 H7 150.6 . . . no C3 H4 H8 120.3 . . . no C3 H4 H9 132.0 . . . no C3 H4 H11 75.6 . . . no C3 H4 H30 129.5 . . . no C5 H4 C6 135.3 . . . no C5 H4 C7 8.6 . . . no C5 H4 C7 129.6 . . . no C5 H4 C8 131.9 . . . no C5 H4 C9 110.3 . . . no C5 H4 C10 92.0 . . . no C5 H4 C11 90.6 . . . no C5 H4 C12 106.8 . . . no C5 H4 C12 103.2 . . . no C5 H4 C34 72.2 . . . no C5 H4 H1 95.5 . . . no C5 H4 H2 36.0 . . . no C5 H4 H3 35.2 . . . no C5 H4 H5 124.6 . . . no C5 H4 H7 137.1 . . . no C5 H4 H8 144.8 . . . no C5 H4 H9 108.4 . . . no C5 H4 H11 104.9 . . . no C5 H4 H30 58.7 . . . no C6 H4 C7 142.9 2 2 2 no C6 H4 C7 82.1 2 2 2 no C6 H4 C8 63.9 2 2 2 no C6 H4 C9 69.8 2 2 2 no C6 H4 C10 91.4 2 2 2 no C6 H4 C11 107.3 2 2 2 no C6 H4 C12 103.6 2 2 2 no C6 H4 C12 86.2 2 2 2 no C6 H4 C34 64.5 2 2 2 no C6 H4 H1 126.8 2 2 2 no C6 H4 H2 116.1 2 2 2 no C6 H4 H3 107.8 2 2 2 no C6 H4 H5 11.9 2 2 2 no C6 H4 H7 16.5 2 2 2 no C6 H4 H8 48.6 2 2 2 no C6 H4 H9 60.2 2 2 2 no C6 H4 H11 83.6 2 2 2 no C6 H4 H30 76.8 2 2 2 no C7 H4 C7 122.0 . . . no C7 H4 C8 127.4 . . . no C7 H4 C9 107.7 . . . no C7 H4 C10 87.8 . . . no C7 H4 C11 83.9 . . . no C7 H4 C12 99.0 . . . no C7 H4 C12 105.6 . . . no C7 H4 C34 78.9 . . . no C7 H4 H1 89.1 . . . no C7 H4 H2 36.1 . . . no C7 H4 H3 43.3 . . . no C7 H4 H5 132.7 . . . no C7 H4 H7 142.3 . . . no C7 H4 H8 142.0 . . . no C7 H4 H9 108.1 . . . no C7 H4 H11 107.5 . . . no C7 H4 H30 66.2 . . . no C7 H4 C8 24.1 4_465 4_465 4_465 no C7 H4 C9 42.3 4_465 4_465 4_465 no C7 H4 C10 47.4 4_465 4_465 4_465 no C7 H4 C11 40.1 4_465 4_465 4_465 no C7 H4 C12 23.2 4_465 4_465 4_465 no C7 H4 C12 113.3 4_465 4_465 4_465 no C7 H4 C34 117.1 4_465 4_465 4_465 no C7 H4 H1 72.8 4_465 4_465 4_465 no C7 H4 H2 104.7 4_465 4_465 4_465 no C7 H4 H3 164.1 4_465 4_465 4_465 no C7 H4 H5 93.9 4_465 4_465 4_465 no C7 H4 H7 69.0 4_465 4_465 4_465 no C7 H4 H8 34.6 4_465 4_465 4_465 no C7 H4 H9 55.3 4_465 4_465 4_465 no C7 H4 H11 113.2 4_465 4_465 4_465 no C7 H4 H30 130.8 4_465 4_465 4_465 no C8 H4 C9 24.0 4_465 4_465 4_465 no C8 H4 C10 39.9 4_465 4_465 4_465 no C8 H4 C11 45.8 4_465 4_465 4_465 no C8 H4 C12 40.4 4_465 4_465 4_465 no C8 H4 C12 123.8 4_465 4_465 4_465 no C8 H4 C34 93.9 4_465 4_465 4_465 no C8 H4 H1 96.6 4_465 4_465 4_465 no C8 H4 H2 97.8 4_465 4_465 4_465 no C8 H4 H3 151.5 4_465 4_465 4_465 no C8 H4 H5 74.7 4_465 4_465 4_465 no C8 H4 H7 48.5 4_465 4_465 4_465 no C8 H4 H8 16.3 4_465 4_465 4_465 no C8 H4 H9 33.3 4_465 4_465 4_465 no C8 H4 H11 122.5 4_465 4_465 4_465 no C8 H4 H30 108.6 4_465 4_465 4_465 no C9 H4 C10 22.1 4_465 4_465 4_465 no C9 H4 C11 38.9 4_465 4_465 4_465 no C9 H4 C12 46.8 4_465 4_465 4_465 no C9 H4 C12 146.4 4_465 4_465 4_465 no C9 H4 C34 75.6 4_465 4_465 4_465 no C9 H4 H1 112.4 4_465 4_465 4_465 no C9 H4 H2 74.8 4_465 4_465 4_465 no C9 H4 H3 128.4 4_465 4_465 4_465 no C9 H4 H5 77.4 4_465 4_465 4_465 no C9 H4 H7 53.4 4_465 4_465 4_465 no C9 H4 H8 34.5 4_465 4_465 4_465 no C9 H4 H9 14.7 4_465 4_465 4_465 no C9 H4 H11 144.7 4_465 4_465 4_465 no C9 H4 H30 88.5 4_465 4_465 4_465 no C10 H4 C11 21.8 4_465 4_465 4_465 no C10 H4 C12 39.2 4_465 4_465 4_465 no C10 H4 C12 160.6 4_465 4_465 4_465 no C10 H4 C34 80.3 4_465 4_465 4_465 no C10 H4 H1 103.5 4_465 4_465 4_465 no C10 H4 H2 59.1 4_465 4_465 4_465 no C10 H4 H3 118.5 4_465 4_465 4_465 no C10 H4 H5 97.9 4_465 4_465 4_465 no C10 H4 H7 75.2 4_465 4_465 4_465 no C10 H4 H8 54.3 4_465 4_465 4_465 no C10 H4 H9 32.1 4_465 4_465 4_465 no C10 H4 H11 160.5 4_465 4_465 4_465 no C10 H4 H30 89.0 4_465 4_465 4_465 no C11 H4 C12 22.0 4_465 4_465 4_465 no C11 H4 C12 143.7 4_465 4_465 4_465 no C11 H4 C34 100.6 4_465 4_465 4_465 no C11 H4 H1 82.0 4_465 4_465 4_465 no C11 H4 H2 65.8 4_465 4_465 4_465 no C11 H4 H3 124.0 4_465 4_465 4_465 no C11 H4 H5 116.1 4_465 4_465 4_465 no C11 H4 H7 90.9 4_465 4_465 4_465 no C11 H4 H8 62.1 4_465 4_465 4_465 no C11 H4 H9 52.0 4_465 4_465 4_465 no C11 H4 H11 145.1 4_465 4_465 4_465 no C11 H4 H30 106.8 4_465 4_465 4_465 no C12 H4 C12 123.0 4_465 4_465 4_465 no C12 H4 C34 119.3 4_465 4_465 4_465 no C12 H4 H1 66.3 4_465 4_465 4_465 no C12 H4 H2 87.2 4_465 4_465 4_465 no C12 H4 H3 142.0 4_465 4_465 4_465 no C12 H4 H5 114.8 4_465 4_465 4_465 no C12 H4 H7 88.8 4_465 4_465 4_465 no C12 H4 H8 55.0 4_465 4_465 4_465 no C12 H4 H9 61.6 4_465 4_465 4_465 no C12 H4 H11 124.0 4_465 4_465 4_465 no C12 H4 H30 127.9 4_465 4_465 4_465 no C12 H4 C34 115.6 3_675 3_675 3_675 no C12 H4 H1 63.6 3_675 3_675 3_675 no C12 H4 H2 138.4 3_675 3_675 3_675 no C12 H4 H3 80.4 3_675 3_675 3_675 no C12 H4 H5 83.5 3_675 3_675 3_675 no C12 H4 H7 100.5 3_675 3_675 3_675 no C12 H4 H8 111.9 3_675 3_675 3_675 no C12 H4 H9 144.6 3_675 3_675 3_675 no C12 H4 H11 2.7 3_675 3_675 3_675 no C12 H4 H30 109.1 3_675 3_675 3_675 no C34 H4 H1 167.3 4_475 4_475 4_475 no C34 H4 H2 56.0 4_475 4_475 4_475 no C34 H4 H3 59.5 4_475 4_475 4_475 no C34 H4 H5 56.4 4_475 4_475 4_475 no C34 H4 H7 65.4 4_475 4_475 4_475 no C34 H4 H8 90.4 4_475 4_475 4_475 no C34 H4 H9 61.9 4_475 4_475 4_475 no C34 H4 H11 113.9 4_475 4_475 4_475 no C34 H4 H30 15.5 4_475 4_475 4_475 no H1 H4 H2 115.3 . . . no H1 H4 H3 108.7 . . . no H1 H4 H5 133.6 . . . no H1 H4 H7 127.2 . . . no H1 H4 H8 101.7 . . . no H1 H4 H9 126.9 . . . no H1 H4 H11 65.7 . . . no H1 H4 H30 152.0 . . . no H2 H4 H3 60.0 . . . no H2 H4 H5 111.0 . . . no H2 H4 H7 108.7 . . . no H2 H4 H8 108.9 . . . no H2 H4 H9 72.5 . . . no H2 H4 H11 139.6 . . . no H2 H4 H30 50.6 . . . no H3 H4 H5 95.8 . . . no H3 H4 H7 118.1 . . . no H3 H4 H8 149.5 . . . no H3 H4 H9 118.2 . . . no H3 H4 H11 80.9 . . . no H3 H4 H30 44.2 . . . no H5 H4 H7 26.2 2 2 2 no H5 H4 H8 59.9 2 2 2 no H5 H4 H9 65.9 2 2 2 no H5 H4 H11 80.8 2 2 2 no H5 H4 H30 67.1 2 2 2 no H7 H4 H8 34.4 2 2 2 no H7 H4 H9 44.7 2 2 2 no H7 H4 H11 97.9 2 2 2 no H7 H4 H30 79.9 2 2 2 no H8 H4 H9 37.6 4_465 4_465 4_465 no H8 H4 H11 110.2 4_465 4_465 4_465 no H8 H4 H30 105.9 4_465 4_465 4_465 no H9 H4 H11 142.2 4_465 4_465 4_465 no H9 H4 H30 75.8 4_465 4_465 4_465 no H11 H4 H30 108.0 3_675 3_675 3_675 no O1 H5 O1 93.9 4_465 4_465 4_465 no O1 H5 N2 101.0 4_465 4_465 4_465 no O1 H5 C2 57.2 4_465 4_465 4_465 no O1 H5 C3 53.0 4_465 4_465 4_465 no O1 H5 C4 83.6 4_465 4_465 4_465 no O1 H5 C5 94.0 4_465 4_465 4_465 no O1 H5 C6 109.9 4_465 4_465 4_465 no O1 H5 C8 145.5 4_465 4_465 4_465 no O1 H5 C9 156.0 4_465 4_465 4_465 no O1 H5 C34 102.1 4_465 4_465 4_465 no O1 H5 C35 90.7 4_465 4_465 4_465 no O1 H5 C36 102.4 4_465 4_465 4_465 no O1 H5 H1 29.6 4_465 4_465 4_465 no O1 H5 H2 107.1 4_465 4_465 4_465 no O1 H5 H3 79.8 4_465 4_465 4_465 no O1 H5 H4 97.8 4_465 4_465 4_465 no O1 H5 H6 92.8 4_465 4_465 4_465 no O1 H5 H7 144.7 4_465 4_465 4_465 no O1 H5 H8 145.5 4_465 4_465 4_465 no O1 H5 H9 166.8 4_465 4_465 4_465 no O1 H5 H10 37.2 4_465 4_465 4_465 no O1 H5 H11 57.5 4_465 4_465 4_465 no O1 H5 H15 152.9 4_465 4_465 4_465 no O1 H5 H30 91.3 4_465 4_465 4_465 no O1 H5 H31 70.3 4_465 4_465 4_465 no O1 H5 H32 93.8 4_465 4_465 4_465 no O1 H5 N2 61.3 3_665 3_665 3_665 no O1 H5 C2 64.0 3_665 3_665 3_665 no O1 H5 C3 70.2 3_665 3_665 3_665 no O1 H5 C4 66.4 3_665 3_665 3_665 no O1 H5 C5 58.8 3_665 3_665 3_665 no O1 H5 C6 97.4 3_665 3_665 3_665 no O1 H5 C8 51.7 3_665 3_665 3_665 no O1 H5 C9 68.3 3_665 3_665 3_665 no O1 H5 C34 123.6 3_665 3_665 3_665 no O1 H5 C35 146.5 3_665 3_665 3_665 no O1 H5 C36 159.4 3_665 3_665 3_665 no O1 H5 H1 82.2 3_665 3_665 3_665 no O1 H5 H2 69.0 3_665 3_665 3_665 no O1 H5 H3 70.4 3_665 3_665 3_665 no O1 H5 H4 44.9 3_665 3_665 3_665 no O1 H5 H6 130.7 3_665 3_665 3_665 no O1 H5 H7 89.1 3_665 3_665 3_665 no O1 H5 H8 55.8 3_665 3_665 3_665 no O1 H5 H9 83.7 3_665 3_665 3_665 no O1 H5 H10 128.1 3_665 3_665 3_665 no O1 H5 H11 42.6 3_665 3_665 3_665 no O1 H5 H15 104.2 3_665 3_665 3_665 no O1 H5 H30 111.9 3_665 3_665 3_665 no O1 H5 H31 145.1 3_665 3_665 3_665 no O1 H5 H32 172.2 3_665 3_665 3_665 no N2 H5 C2 44.2 . . . no N2 H5 C3 48.0 . . . no N2 H5 C4 17.9 . . . no N2 H5 C5 118.9 . . . no N2 H5 C6 37.4 . . . no N2 H5 C8 66.6 . . . no N2 H5 C9 85.0 . . . no N2 H5 C34 155.9 . . . no N2 H5 C35 149.5 . . . no N2 H5 C36 126.2 . . . no N2 H5 H1 71.6 . . . no N2 H5 H2 123.7 . . . no N2 H5 H3 131.7 . . . no N2 H5 H4 104.5 . . . no N2 H5 H6 69.5 . . . no N2 H5 H7 50.6 . . . no N2 H5 H8 52.2 . . . no N2 H5 H9 89.3 . . . no N2 H5 H10 103.2 . . . no N2 H5 H11 91.5 . . . no N2 H5 H15 71.6 . . . no N2 H5 H30 166.1 . . . no N2 H5 H31 150.3 . . . no N2 H5 H32 116.6 . . . no C2 H5 C3 6.5 . . . no C2 H5 C4 28.1 . . . no C2 H5 C5 112.6 . . . no C2 H5 C6 67.3 . . . no C2 H5 C8 101.4 . . . no C2 H5 C9 122.3 . . . no C2 H5 C34 159.3 . . . no C2 H5 C35 141.6 . . . no C2 H5 C36 136.0 . . . no C2 H5 H1 28.6 . . . no C2 H5 H2 128.0 . . . no C2 H5 H3 112.1 . . . no C2 H5 H4 102.9 . . . no C2 H5 H6 79.5 . . . no C2 H5 H7 93.6 . . . no C2 H5 H8 91.7 . . . no C2 H5 H9 131.5 . . . no C2 H5 H10 71.7 . . . no C2 H5 H11 64.5 . . . no C2 H5 H15 113.4 . . . no C2 H5 H30 146.4 . . . no C2 H5 H31 122.9 . . . no C2 H5 H32 120.4 . . . no C3 H5 C4 30.8 . . . no C3 H5 C5 116.6 . . . no C3 H5 C6 67.1 . . . no C3 H5 C8 107.6 . . . no C3 H5 C9 128.3 . . . no C3 H5 C34 154.3 . . . no C3 H5 C35 135.2 . . . no C3 H5 C36 129.9 . . . no C3 H5 H1 23.7 . . . no C3 H5 H2 132.5 . . . no C3 H5 H3 114.1 . . . no C3 H5 H4 107.9 . . . no C3 H5 H6 75.5 . . . no C3 H5 H7 95.8 . . . no C3 H5 H8 97.2 . . . no C3 H5 H9 136.7 . . . no C3 H5 H10 65.3 . . . no C3 H5 H11 67.4 . . . no C3 H5 H15 114.6 . . . no C3 H5 H30 143.8 . . . no C3 H5 H31 116.8 . . . no C3 H5 H32 114.5 . . . no C4 H5 C5 124.9 . . . no C4 H5 C6 42.2 . . . no C4 H5 C8 83.6 . . . no C4 H5 C9 102.6 . . . no C4 H5 C34 167.5 . . . no C4 H5 C35 147.1 . . . no C4 H5 C36 127.4 . . . no C4 H5 H1 54.1 . . . no C4 H5 H2 134.7 . . . no C4 H5 H3 132.2 . . . no C4 H5 H4 111.3 . . . no C4 H5 H6 65.9 . . . no C4 H5 H7 65.5 . . . no C4 H5 H8 69.8 . . . no C4 H5 H9 107.1 . . . no C4 H5 H10 86.8 . . . no C4 H5 H11 85.7 . . . no C4 H5 H15 85.4 . . . no C4 H5 H30 174.5 . . . no C4 H5 H31 137.8 . . . no C4 H5 H32 114.1 . . . no C5 H5 C6 147.9 2_545 2_545 2_545 no C5 H5 C8 68.0 2_545 2_545 2_545 no C5 H5 C9 63.2 2_545 2_545 2_545 no C5 H5 C34 66.3 2_545 2_545 2_545 no C5 H5 C35 87.8 2_545 2_545 2_545 no C5 H5 C36 107.0 2_545 2_545 2_545 no C5 H5 H1 110.3 2_545 2_545 2_545 no C5 H5 H2 16.5 2_545 2_545 2_545 no C5 H5 H3 17.6 2_545 2_545 2_545 no C5 H5 H4 14.4 2_545 2_545 2_545 no C5 H5 H6 167.9 2_545 2_545 2_545 no C5 H5 H7 117.1 2_545 2_545 2_545 no C5 H5 H8 84.1 2_545 2_545 2_545 no C5 H5 H9 73.6 2_545 2_545 2_545 no C5 H5 H10 122.2 2_545 2_545 2_545 no C5 H5 H11 49.8 2_545 2_545 2_545 no C5 H5 H15 112.5 2_545 2_545 2_545 no C5 H5 H30 53.1 2_545 2_545 2_545 no C5 H5 H31 90.5 2_545 2_545 2_545 no C5 H5 H32 121.0 2_545 2_545 2_545 no C6 H5 C8 80.4 . . . no C6 H5 C9 89.1 . . . no C6 H5 C34 125.5 . . . no C6 H5 C35 112.1 . . . no C6 H5 C36 88.9 . . . no C6 H5 H1 84.6 . . . no C6 H5 H2 141.3 . . . no C6 H5 H3 165.4 . . . no C6 H5 H4 135.3 . . . no C6 H5 H6 35.4 . . . no C6 H5 H7 35.0 . . . no C6 H5 H8 64.1 . . . no C6 H5 H9 83.3 . . . no C6 H5 H10 89.0 . . . no C6 H5 H11 127.6 . . . no C6 H5 H15 48.6 . . . no C6 H5 H30 142.6 . . . no C6 H5 H31 117.1 . . . no C6 H5 H32 79.5 . . . no C8 H5 C9 20.8 3_665 3_665 3_665 no C8 H5 C34 97.2 3_665 3_665 3_665 no C8 H5 C35 116.5 3_665 3_665 3_665 no C8 H5 C36 110.8 3_665 3_665 3_665 no C8 H5 H1 128.3 3_665 3_665 3_665 no C8 H5 H2 62.5 3_665 3_665 3_665 no C8 H5 H3 85.5 3_665 3_665 3_665 no C8 H5 H4 58.1 3_665 3_665 3_665 no C8 H5 H6 110.7 3_665 3_665 3_665 no C8 H5 H7 50.8 3_665 3_665 3_665 no C8 H5 H8 16.6 3_665 3_665 3_665 no C8 H5 H9 33.6 3_665 3_665 3_665 no C8 H5 H10 169.1 3_665 3_665 3_665 no C8 H5 H11 89.7 3_665 3_665 3_665 no C8 H5 H15 56.6 3_665 3_665 3_665 no C8 H5 H30 99.6 3_665 3_665 3_665 no C8 H5 H31 135.6 3_665 3_665 3_665 no C8 H5 H32 120.6 3_665 3_665 3_665 no C9 H5 C34 76.7 3_665 3_665 3_665 no C9 H5 C35 95.7 3_665 3_665 3_665 no C9 H5 C36 92.3 3_665 3_665 3_665 no C9 H5 H1 148.8 3_665 3_665 3_665 no C9 H5 H2 52.3 3_665 3_665 3_665 no C9 H5 H3 79.0 3_665 3_665 3_665 no C9 H5 H4 58.2 3_665 3_665 3_665 no C9 H5 H6 111.0 3_665 3_665 3_665 no C9 H5 H7 54.7 3_665 3_665 3_665 no C9 H5 H8 32.8 3_665 3_665 3_665 no C9 H5 H9 15.8 3_665 3_665 3_665 no C9 H5 H10 163.6 3_665 3_665 3_665 no C9 H5 H11 99.4 3_665 3_665 3_665 no C9 H5 H15 51.0 3_665 3_665 3_665 no C9 H5 H30 81.2 3_665 3_665 3_665 no C9 H5 H31 114.8 3_665 3_665 3_665 no C9 H5 H32 104.4 3_665 3_665 3_665 no C34 H5 C35 24.0 3_675 3_675 3_675 no C34 H5 C36 40.8 3_675 3_675 3_675 no C34 H5 H1 130.8 3_675 3_675 3_675 no C34 H5 H2 54.6 3_675 3_675 3_675 no C34 H5 H3 60.1 3_675 3_675 3_675 no C34 H5 H4 79.2 3_675 3_675 3_675 no C34 H5 H6 102.4 3_675 3_675 3_675 no C34 H5 H7 105.3 3_675 3_675 3_675 no C34 H5 H8 108.5 3_675 3_675 3_675 no C34 H5 H9 69.0 3_675 3_675 3_675 no C34 H5 H10 91.2 3_675 3_675 3_675 no C34 H5 H11 106.7 3_675 3_675 3_675 no C34 H5 H15 84.6 3_675 3_675 3_675 no C34 H5 H30 17.2 3_675 3_675 3_675 no C34 H5 H31 38.7 3_675 3_675 3_675 no C34 H5 H32 54.9 3_675 3_675 3_675 no C35 H5 C36 23.5 3_675 3_675 3_675 no C35 H5 H1 115.0 3_675 3_675 3_675 no C35 H5 H2 78.0 3_675 3_675 3_675 no C35 H5 H3 77.8 3_675 3_675 3_675 no C35 H5 H4 101.6 3_675 3_675 3_675 no C35 H5 H6 82.1 3_675 3_675 3_675 no C35 H5 H7 105.8 3_675 3_675 3_675 no C35 H5 H8 123.6 3_675 3_675 3_675 no C35 H5 H9 84.3 3_675 3_675 3_675 no C35 H5 H10 70.0 3_675 3_675 3_675 no C35 H5 H11 118.2 3_675 3_675 3_675 no C35 H5 H15 85.2 3_675 3_675 3_675 no C35 H5 H30 34.7 3_675 3_675 3_675 no C35 H5 H31 20.4 3_675 3_675 3_675 no C35 H5 H32 33.8 3_675 3_675 3_675 no C36 H5 H1 118.0 3_675 3_675 3_675 no C36 H5 H2 93.9 3_675 3_675 3_675 no C36 H5 H3 99.9 3_675 3_675 3_675 no C36 H5 H4 119.3 3_675 3_675 3_675 no C36 H5 H6 61.7 3_675 3_675 3_675 no C36 H5 H7 84.8 3_675 3_675 3_675 no C36 H5 H8 111.2 3_675 3_675 3_675 no C36 H5 H9 77.5 3_675 3_675 3_675 no C36 H5 H10 71.4 3_675 3_675 3_675 no C36 H5 H11 141.4 3_675 3_675 3_675 no C36 H5 H15 65.7 3_675 3_675 3_675 no C36 H5 H30 55.8 3_675 3_675 3_675 no C36 H5 H31 37.3 3_675 3_675 3_675 no C36 H5 H32 15.6 3_675 3_675 3_675 no H1 H5 H2 126.5 . . . no H1 H5 H3 101.2 . . . no H1 H5 H4 107.3 . . . no H1 H5 H6 80.2 . . . no H1 H5 H7 117.2 . . . no H1 H5 H8 120.2 . . . no H1 H5 H9 160.1 . . . no H1 H5 H10 47.0 . . . no H1 H5 H11 62.1 . . . no H1 H5 H15 133.0 . . . no H1 H5 H30 120.9 . . . no H1 H5 H31 95.1 . . . no H1 H5 H32 104.5 . . . no H2 H5 H3 27.3 2_545 2_545 2_545 no H2 H5 H4 25.4 2_545 2_545 2_545 no H2 H5 H6 151.8 2_545 2_545 2_545 no H2 H5 H7 106.8 2_545 2_545 2_545 no H2 H5 H8 79.1 2_545 2_545 2_545 no H2 H5 H9 59.9 2_545 2_545 2_545 no H2 H5 H10 128.4 2_545 2_545 2_545 no H2 H5 H11 66.3 2_545 2_545 2_545 no H2 H5 H15 98.2 2_545 2_545 2_545 no H2 H5 H30 45.0 2_545 2_545 2_545 no H2 H5 H31 85.7 2_545 2_545 2_545 no H2 H5 H32 109.0 2_545 2_545 2_545 no H3 H5 H4 30.2 2_545 2_545 2_545 no H3 H5 H6 158.4 2_545 2_545 2_545 no H3 H5 H7 133.6 2_545 2_545 2_545 no H3 H5 H8 101.7 2_545 2_545 2_545 no H3 H5 H9 87.2 2_545 2_545 2_545 no H3 H5 H10 104.8 2_545 2_545 2_545 no H3 H5 H11 47.8 2_545 2_545 2_545 no H3 H5 H15 125.0 2_545 2_545 2_545 no H3 H5 H30 44.1 2_545 2_545 2_545 no H3 H5 H31 76.0 2_545 2_545 2_545 no H3 H5 H32 111.5 2_545 2_545 2_545 no H4 H5 H6 168.8 2_545 2_545 2_545 no H4 H5 H7 108.8 2_545 2_545 2_545 no H4 H5 H8 73.1 2_545 2_545 2_545 no H4 H5 H9 71.4 2_545 2_545 2_545 no H4 H5 H10 131.0 2_545 2_545 2_545 no H4 H5 H11 45.3 2_545 2_545 2_545 no H4 H5 H15 109.3 2_545 2_545 2_545 no H4 H5 H30 67.2 2_545 2_545 2_545 no H4 H5 H31 104.9 2_545 2_545 2_545 no H4 H5 H32 134.1 2_545 2_545 2_545 no H6 H5 H7 60.0 . . . no H6 H5 H8 95.9 . . . no H6 H5 H9 98.7 . . . no H6 H5 H10 60.2 . . . no H6 H5 H11 141.8 . . . no H6 H5 H15 60.2 . . . no H6 H5 H30 116.7 . . . no H6 H5 H31 82.4 . . . no H6 H5 H32 48.4 . . . no H7 H5 H8 37.1 . . . no H7 H5 H9 48.5 . . . no H7 H5 H10 120.1 . . . no H7 H5 H11 131.5 . . . no H7 H5 H15 21.1 . . . no H7 H5 H30 120.0 . . . no H7 H5 H31 122.0 . . . no H7 H5 H32 84.3 . . . no H8 H5 H9 39.9 3_665 3_665 3_665 no H8 H5 H10 152.5 3_665 3_665 3_665 no H8 H5 H11 97.7 3_665 3_665 3_665 no H8 H5 H15 48.5 3_665 3_665 3_665 no H8 H5 H30 113.9 3_665 3_665 3_665 no H8 H5 H31 144.0 3_665 3_665 3_665 no H8 H5 H32 116.7 3_665 3_665 3_665 no H9 H5 H10 148.0 3_665 3_665 3_665 no H9 H5 H11 114.5 3_665 3_665 3_665 no H9 H5 H15 38.9 3_665 3_665 3_665 no H9 H5 H30 77.6 3_665 3_665 3_665 no H9 H5 H31 104.5 3_665 3_665 3_665 no H9 H5 H32 88.8 3_665 3_665 3_665 no H10 H5 H11 94.7 3_675 3_675 3_675 no H10 H5 H15 117.6 3_675 3_675 3_675 no H10 H5 H30 90.5 3_675 3_675 3_675 no H10 H5 H31 52.4 3_675 3_675 3_675 no H10 H5 H32 59.3 3_675 3_675 3_675 no H11 H5 H15 145.9 4_465 4_465 4_465 no H11 H5 H30 89.7 4_465 4_465 4_465 no H11 H5 H31 105.7 4_465 4_465 4_465 no H11 H5 H32 144.2 4_465 4_465 4_465 no H15 H5 H30 100.1 2_645 2_645 2_645 no H15 H5 H31 102.9 2_645 2_645 2_645 no H15 H5 H32 68.4 2_645 2_645 2_645 no H30 H5 H31 41.0 3_675 3_675 3_675 no H30 H5 H32 68.3 3_675 3_675 3_675 no H31 H5 H32 39.6 3_675 3_675 3_675 no N2 H6 C3 48.6 . . . no N2 H6 C4 21.8 . . . no N2 H6 C6 45.1 . . . no N2 H6 C11 115.4 . . . no N2 H6 C29 124.2 . . . no N2 H6 C31 134.0 . . . no N2 H6 C34 84.6 . . . no N2 H6 C35 71.2 . . . no N2 H6 C35 142.2 . . . no N2 H6 C36 152.7 . . . no N2 H6 H1 70.0 . . . no N2 H6 H5 77.5 . . . no N2 H6 H7 54.1 . . . no N2 H6 H8 46.3 . . . no N2 H6 H10 119.5 . . . no N2 H6 H15 81.0 . . . no N2 H6 H16 43.2 . . . no N2 H6 H26 125.6 . . . no N2 H6 H30 84.8 . . . no N2 H6 H31 55.7 . . . no N2 H6 H31 142.9 . . . no N2 H6 H32 166.6 . . . no C3 H6 C4 28.5 . . . no C3 H6 C6 60.6 . . . no C3 H6 C11 73.5 . . . no C3 H6 C29 166.3 . . . no C3 H6 C31 156.0 . . . no C3 H6 C34 102.2 . . . no C3 H6 C35 104.1 . . . no C3 H6 C35 120.0 . . . no C3 H6 C36 144.0 . . . no C3 H6 H1 22.1 . . . no C3 H6 H5 67.3 . . . no C3 H6 H7 91.3 . . . no C3 H6 H8 82.8 . . . no C3 H6 H10 72.4 . . . no C3 H6 H15 128.1 . . . no C3 H6 H16 91.4 . . . no C3 H6 H26 158.9 . . . no C3 H6 H30 91.1 . . . no C3 H6 H31 95.0 . . . no C3 H6 H31 105.9 . . . no C3 H6 H32 144.7 . . . no C4 H6 C6 41.6 . . . no C4 H6 C11 100.8 . . . no C4 H6 C29 145.9 . . . no C4 H6 C31 144.5 . . . no C4 H6 C34 98.4 . . . no C4 H6 C35 89.9 . . . no C4 H6 C35 130.8 . . . no C4 H6 C36 152.8 . . . no C4 H6 H1 48.8 . . . no C4 H6 H5 65.1 . . . no C4 H6 H7 65.2 . . . no C4 H6 H8 56.5 . . . no C4 H6 H10 100.9 . . . no C4 H6 H15 99.6 . . . no C4 H6 H16 63.2 . . . no C4 H6 H26 147.1 . . . no C4 H6 H30 93.8 . . . no C4 H6 H31 75.9 . . . no C4 H6 H31 124.4 . . . no C4 H6 H32 169.5 . . . no C6 H6 C11 128.9 . . . no C6 H6 C29 124.9 . . . no C6 H6 C31 103.6 . . . no C6 H6 C34 126.9 . . . no C6 H6 C35 107.9 . . . no C6 H6 C35 97.1 . . . no C6 H6 C36 112.9 . . . no C6 H6 H1 69.7 . . . no C6 H6 H5 35.4 . . . no C6 H6 H7 35.1 . . . no C6 H6 H8 28.5 . . . no C6 H6 H10 119.1 . . . no C6 H6 H15 76.0 . . . no C6 H6 H16 55.3 . . . no C6 H6 H26 133.5 . . . no C6 H6 H30 129.9 . . . no C6 H6 H31 90.8 . . . no C6 H6 H31 101.4 . . . no C6 H6 H32 133.1 . . . no C11 H6 C29 105.1 3_675 3_675 3_675 no C11 H6 C31 110.6 3_675 3_675 3_675 no C11 H6 C34 81.9 3_675 3_675 3_675 no C11 H6 C35 103.8 3_675 3_675 3_675 no C11 H6 C35 86.7 3_675 3_675 3_675 no C11 H6 C36 90.9 3_675 3_675 3_675 no C11 H6 H1 59.5 3_675 3_675 3_675 no C11 H6 H5 107.7 3_675 3_675 3_675 no C11 H6 H7 163.8 3_675 3_675 3_675 no C11 H6 H8 155.9 3_675 3_675 3_675 no C11 H6 H10 16.1 3_675 3_675 3_675 no C11 H6 H15 155.1 3_675 3_675 3_675 no C11 H6 H16 151.3 3_675 3_675 3_675 no C11 H6 H26 97.2 3_675 3_675 3_675 no C11 H6 H30 68.2 3_675 3_675 3_675 no C11 H6 H31 115.5 3_675 3_675 3_675 no C11 H6 H31 69.5 3_675 3_675 3_675 no C11 H6 H32 76.4 3_675 3_675 3_675 no C29 H6 C31 37.6 3_675 3_675 3_675 no C29 H6 C34 64.2 3_675 3_675 3_675 no C29 H6 C35 62.7 3_675 3_675 3_675 no C29 H6 C35 73.1 3_675 3_675 3_675 no C29 H6 C36 48.6 3_675 3_675 3_675 no C29 H6 H1 164.0 3_675 3_675 3_675 no C29 H6 H5 125.1 3_675 3_675 3_675 no C29 H6 H7 91.0 3_675 3_675 3_675 no C29 H6 H8 99.0 3_675 3_675 3_675 no C29 H6 H10 110.1 3_675 3_675 3_675 no C29 H6 H15 50.8 3_675 3_675 3_675 no C29 H6 H16 83.8 3_675 3_675 3_675 no C29 H6 H26 9.4 3_675 3_675 3_675 no C29 H6 H30 75.9 3_675 3_675 3_675 no C29 H6 H31 73.1 3_675 3_675 3_675 no C29 H6 H31 85.9 3_675 3_675 3_675 no C29 H6 H32 43.3 3_675 3_675 3_675 no C31 H6 C34 101.7 3_675 3_675 3_675 no C31 H6 C35 97.9 3_675 3_675 3_675 no C31 H6 C35 39.8 3_675 3_675 3_675 no C31 H6 C36 21.2 3_675 3_675 3_675 no C31 H6 H1 139.6 3_675 3_675 3_675 no C31 H6 H5 89.4 3_675 3_675 3_675 no C31 H6 H7 81.1 3_675 3_675 3_675 no C31 H6 H8 89.5 3_675 3_675 3_675 no C31 H6 H10 104.8 3_675 3_675 3_675 no C31 H6 H15 55.7 3_675 3_675 3_675 no C31 H6 H16 93.1 3_675 3_675 3_675 no C31 H6 H26 44.9 3_675 3_675 3_675 no C31 H6 H30 112.5 3_675 3_675 3_675 no C31 H6 H31 103.6 3_675 3_675 3_675 no C31 H6 H31 57.1 3_675 3_675 3_675 no C31 H6 H32 34.8 3_675 3_675 3_675 no C34 H6 C35 22.3 2_645 2_645 2_645 no C34 H6 C35 130.7 2_645 2_645 2_645 no C34 H6 C36 107.5 2_645 2_645 2_645 no C34 H6 H1 114.0 2_645 2_645 2_645 no C34 H6 H5 161.9 2_645 2_645 2_645 no C34 H6 H7 107.3 2_645 2_645 2_645 no C34 H6 H8 107.7 2_645 2_645 2_645 no C34 H6 H10 97.8 2_645 2_645 2_645 no C34 H6 H15 81.2 2_645 2_645 2_645 no C34 H6 H16 77.6 2_645 2_645 2_645 no C34 H6 H26 57.1 2_645 2_645 2_645 no C34 H6 H30 15.4 2_645 2_645 2_645 no C34 H6 H31 37.8 2_645 2_645 2_645 no C34 H6 H31 131.4 2_645 2_645 2_645 no C34 H6 H32 91.2 2_645 2_645 2_645 no C35 H6 C35 135.8 2_645 2_645 2_645 no C35 H6 C36 111.1 2_645 2_645 2_645 no C35 H6 H1 122.3 2_645 2_645 2_645 no C35 H6 H5 142.7 2_645 2_645 2_645 no C35 H6 H7 85.0 2_645 2_645 2_645 no C35 H6 H8 85.8 2_645 2_645 2_645 no C35 H6 H10 119.8 2_645 2_645 2_645 no C35 H6 H15 62.2 2_645 2_645 2_645 no C35 H6 H16 55.6 2_645 2_645 2_645 no C35 H6 H26 58.9 2_645 2_645 2_645 no C35 H6 H30 35.7 2_645 2_645 2_645 no C35 H6 H31 17.1 2_645 2_645 2_645 no C35 H6 H31 145.6 2_645 2_645 2_645 no C35 H6 H32 100.6 2_645 2_645 2_645 no C35 H6 C36 24.8 3_675 3_675 3_675 no C35 H6 H1 100.2 3_675 3_675 3_675 no C35 H6 H5 66.3 3_675 3_675 3_675 no C35 H6 H7 96.6 3_675 3_675 3_675 no C35 H6 H8 102.0 3_675 3_675 3_675 no C35 H6 H10 74.3 3_675 3_675 3_675 no C35 H6 H15 90.6 3_675 3_675 3_675 no C35 H6 H16 121.9 3_675 3_675 3_675 no C35 H6 H26 77.3 3_675 3_675 3_675 no C35 H6 H30 132.9 3_675 3_675 3_675 no C35 H6 H31 143.4 3_675 3_675 3_675 no C35 H6 H31 18.9 3_675 3_675 3_675 no C35 H6 H32 39.5 3_675 3_675 3_675 no C36 H6 H1 122.9 3_675 3_675 3_675 no C36 H6 H5 88.0 3_675 3_675 3_675 no C36 H6 H7 98.6 3_675 3_675 3_675 no C36 H6 H8 106.4 3_675 3_675 3_675 no C36 H6 H10 83.8 3_675 3_675 3_675 no C36 H6 H15 76.9 3_675 3_675 3_675 no C36 H6 H16 114.2 3_675 3_675 3_675 no C36 H6 H26 52.5 3_675 3_675 3_675 no C36 H6 H30 113.3 3_675 3_675 3_675 no C36 H6 H31 120.9 3_675 3_675 3_675 no C36 H6 H31 38.4 3_675 3_675 3_675 no C36 H6 H32 20.2 3_675 3_675 3_675 no H1 H6 H5 61.7 . . . no H1 H6 H7 104.3 . . . no H1 H6 H8 96.6 . . . no H1 H6 H10 53.9 . . . no H1 H6 H15 145.0 . . . no H1 H6 H16 111.8 . . . no H1 H6 H26 156.7 . . . no H1 H6 H30 99.9 . . . no H1 H6 H31 116.0 . . . no H1 H6 H31 84.5 . . . no H1 H6 H32 123.1 . . . no H5 H6 H7 60.0 . . . no H5 H6 H8 57.7 . . . no H5 H6 H10 93.0 . . . no H5 H6 H15 93.7 . . . no H5 H6 H16 87.7 . . . no H5 H6 H26 133.8 . . . no H5 H6 H30 157.9 . . . no H5 H6 H31 125.9 . . . no H5 H6 H31 66.6 . . . no H5 H6 H32 105.8 . . . no H7 H6 H8 8.6 . . . no H7 H6 H10 152.6 . . . no H7 H6 H15 41.0 . . . no H7 H6 H16 30.4 . . . no H7 H6 H26 99.0 . . . no H7 H6 H30 118.7 . . . no H7 H6 H31 70.4 . . . no H7 H6 H31 110.7 . . . no H7 H6 H32 115.8 . . . no H8 H6 H10 147.6 3_665 3_665 3_665 no H8 H6 H15 48.4 3_665 3_665 3_665 no H8 H6 H16 30.2 3_665 3_665 3_665 no H8 H6 H26 106.6 3_665 3_665 3_665 no H8 H6 H30 117.3 3_665 3_665 3_665 no H8 H6 H31 70.0 3_665 3_665 3_665 no H8 H6 H31 114.4 3_665 3_665 3_665 no H8 H6 H32 124.2 3_665 3_665 3_665 no H10 H6 H15 159.3 3_675 3_675 3_675 no H10 H6 H16 162.0 3_675 3_675 3_675 no H10 H6 H26 103.9 3_675 3_675 3_675 no H10 H6 H30 84.3 3_675 3_675 3_675 no H10 H6 H31 131.4 3_675 3_675 3_675 no H10 H6 H31 56.0 3_675 3_675 3_675 no H10 H6 H32 73.6 3_675 3_675 3_675 no H15 H6 H16 38.0 2_645 2_645 2_645 no H15 H6 H26 58.2 2_645 2_645 2_645 no H15 H6 H30 96.5 2_645 2_645 2_645 no H15 H6 H31 56.7 2_645 2_645 2_645 no H15 H6 H31 109.5 2_645 2_645 2_645 no H15 H6 H32 85.8 2_645 2_645 2_645 no H16 H6 H26 88.3 2_645 2_645 2_645 no H16 H6 H30 88.4 2_645 2_645 2_645 no H16 H6 H31 40.1 2_645 2_645 2_645 no H16 H6 H31 139.0 2_645 2_645 2_645 no H16 H6 H32 123.5 2_645 2_645 2_645 no H26 H6 H30 67.7 3_675 3_675 3_675 no H26 H6 H31 71.5 3_675 3_675 3_675 no H26 H6 H31 87.7 3_675 3_675 3_675 no H26 H6 H32 43.1 3_675 3_675 3_675 no H30 H6 H31 48.4 2_645 2_645 2_645 no H30 H6 H31 127.1 2_645 2_645 2_645 no H30 H6 H32 94.5 2_645 2_645 2_645 no H31 H6 H31 159.0 2_645 2_645 2_645 no H31 H6 H32 114.5 2_645 2_645 2_645 no H31 H6 H32 45.1 3_675 3_675 3_675 no N2 H7 C1 2.6 . . . no N2 H7 C3 45.9 . . . no N2 H7 C4 32.3 . . . no N2 H7 C6 74.0 . . . no N2 H7 C8 89.3 . . . no N2 H7 C9 114.8 . . . no N2 H7 C17 105.3 . . . no N2 H7 C18 82.0 . . . no N2 H7 C31 159.4 . . . no N2 H7 C35 72.1 . . . no N2 H7 C35 139.2 . . . no N2 H7 C36 144.1 . . . no N2 H7 H1 62.8 . . . no N2 H7 H4 96.5 . . . no N2 H7 H5 95.6 . . . no N2 H7 H6 90.3 . . . no N2 H7 H8 75.6 . . . no N2 H7 H9 130.8 . . . no N2 H7 H15 120.2 . . . no N2 H7 H16 65.0 . . . no N2 H7 H26 119.7 . . . no N2 H7 H30 71.2 . . . no N2 H7 H31 62.3 . . . no C1 H7 C3 44.4 . . . no C1 H7 C4 30.9 . . . no C1 H7 C6 72.8 . . . no C1 H7 C8 88.3 . . . no C1 H7 C9 113.8 . . . no C1 H7 C17 107.4 . . . no C1 H7 C18 83.9 . . . no C1 H7 C31 160.7 . . . no C1 H7 C35 74.5 . . . no C1 H7 C35 137.9 . . . no C1 H7 C36 144.1 . . . no C1 H7 H1 61.3 . . . no C1 H7 H4 93.9 . . . no C1 H7 H5 93.4 . . . no C1 H7 H6 90.5 . . . no C1 H7 H8 75.2 . . . no C1 H7 H9 130.4 . . . no C1 H7 H15 122.5 . . . no C1 H7 H16 66.7 . . . no C1 H7 H26 121.7 . . . no C1 H7 H30 72.8 . . . no C1 H7 H31 64.9 . . . no C3 H7 C4 13.6 . . . no C3 H7 C6 29.0 . . . no C3 H7 C8 111.2 . . . no C3 H7 C9 129.8 . . . no C3 H7 C17 146.9 . . . no C3 H7 C18 127.1 . . . no C3 H7 C31 124.6 . . . no C3 H7 C35 89.0 . . . no C3 H7 C35 93.5 . . . no C3 H7 C36 103.7 . . . no C3 H7 H1 16.9 . . . no C3 H7 H4 77.0 . . . no C3 H7 H5 52.7 . . . no C3 H7 H6 57.1 . . . no C3 H7 H8 107.6 . . . no C3 H7 H9 146.9 . . . no C3 H7 H15 155.6 . . . no C3 H7 H16 110.7 . . . no C3 H7 H26 108.4 . . . no C3 H7 H30 66.0 . . . no C3 H7 H31 86.2 . . . no C4 H7 C6 42.1 . . . no C4 H7 C8 105.8 . . . no C4 H7 C9 128.4 . . . no C4 H7 C17 135.0 . . . no C4 H7 C18 113.7 . . . no C4 H7 C31 136.5 . . . no C4 H7 C35 83.0 . . . no C4 H7 C35 107.0 . . . no C4 H7 C36 116.0 . . . no C4 H7 H1 30.5 . . . no C4 H7 H4 83.0 . . . no C4 H7 H5 65.4 . . . no C4 H7 H6 65.9 . . . no C4 H7 H8 98.6 . . . no C4 H7 H9 147.3 . . . no C4 H7 H15 147.1 . . . no C4 H7 H16 97.1 . . . no C4 H7 H26 112.9 . . . no C4 H7 H30 65.4 . . . no C4 H7 H31 77.9 . . . no C6 H7 C8 127.6 . . . no C6 H7 C9 133.4 . . . no C6 H7 C17 153.3 . . . no C6 H7 C18 149.6 . . . no C6 H7 C31 95.7 . . . no C6 H7 C35 92.5 . . . no C6 H7 C35 65.3 . . . no C6 H7 C36 74.7 . . . no C6 H7 H1 14.1 . . . no C6 H7 H4 76.0 . . . no C6 H7 H5 35.2 . . . no C6 H7 H6 35.3 . . . no C6 H7 H8 131.5 . . . no C6 H7 H9 139.8 . . . no C6 H7 H15 145.9 . . . no C6 H7 H16 136.9 . . . no C6 H7 H26 88.4 . . . no C6 H7 H30 62.5 . . . no C6 H7 H31 95.4 . . . no C8 H7 C9 25.5 3_665 3_665 3_665 no C8 H7 C17 78.7 3_665 3_665 3_665 no C8 H7 C18 69.4 3_665 3_665 3_665 no C8 H7 C31 110.9 3_665 3_665 3_665 no C8 H7 C35 129.5 3_665 3_665 3_665 no C8 H7 C35 113.8 3_665 3_665 3_665 no C8 H7 C36 124.1 3_665 3_665 3_665 no C8 H7 H1 116.5 3_665 3_665 3_665 no C8 H7 H4 56.5 3_665 3_665 3_665 no C8 H7 H5 101.5 3_665 3_665 3_665 no C8 H7 H6 161.4 3_665 3_665 3_665 no C8 H7 H8 18.2 3_665 3_665 3_665 no C8 H7 H9 43.3 3_665 3_665 3_665 no C8 H7 H15 85.4 3_665 3_665 3_665 no C8 H7 H16 66.4 3_665 3_665 3_665 no C8 H7 H26 140.4 3_665 3_665 3_665 no C8 H7 H30 155.3 3_665 3_665 3_665 no C8 H7 H31 120.3 3_665 3_665 3_665 no C9 H7 C17 71.9 3_665 3_665 3_665 no C9 H7 C18 73.8 3_665 3_665 3_665 no C9 H7 C31 85.4 3_665 3_665 3_665 no C9 H7 C35 134.0 3_665 3_665 3_665 no C9 H7 C35 92.9 3_665 3_665 3_665 no C9 H7 C36 99.5 3_665 3_665 3_665 no C9 H7 H1 128.1 3_665 3_665 3_665 no C9 H7 H4 57.9 3_665 3_665 3_665 no C9 H7 H5 99.2 3_665 3_665 3_665 no C9 H7 H6 149.8 3_665 3_665 3_665 no C9 H7 H8 40.5 3_665 3_665 3_665 no C9 H7 H9 19.1 3_665 3_665 3_665 no C9 H7 H15 72.2 3_665 3_665 3_665 no C9 H7 H16 78.5 3_665 3_665 3_665 no C9 H7 H26 118.5 3_665 3_665 3_665 no C9 H7 H30 163.3 3_665 3_665 3_665 no C9 H7 H31 130.0 3_665 3_665 3_665 no C17 H7 C18 24.9 2_645 2_645 2_645 no C17 H7 C31 75.8 2_645 2_645 2_645 no C17 H7 C35 62.9 2_645 2_645 2_645 no C17 H7 C35 111.7 2_645 2_645 2_645 no C17 H7 C36 94.9 2_645 2_645 2_645 no C17 H7 H1 159.1 2_645 2_645 2_645 no C17 H7 H4 129.7 2_645 2_645 2_645 no C17 H7 H5 159.1 2_645 2_645 2_645 no C17 H7 H6 119.3 2_645 2_645 2_645 no C17 H7 H8 71.7 2_645 2_645 2_645 no C17 H7 H9 60.8 2_645 2_645 2_645 no C17 H7 H15 16.0 2_645 2_645 2_645 no C17 H7 H16 42.5 2_645 2_645 2_645 no C17 H7 H26 68.5 2_645 2_645 2_645 no C17 H7 H30 91.7 2_645 2_645 2_645 no C17 H7 H31 62.7 2_645 2_645 2_645 no C18 H7 C31 100.7 2_645 2_645 2_645 no C18 H7 C35 61.9 2_645 2_645 2_645 no C18 H7 C35 136.5 2_645 2_645 2_645 no C18 H7 C36 119.5 2_645 2_645 2_645 no C18 H7 H1 143.6 2_645 2_645 2_645 no C18 H7 H4 125.9 2_645 2_645 2_645 no C18 H7 H5 170.6 2_645 2_645 2_645 no C18 H7 H6 128.9 2_645 2_645 2_645 no C18 H7 H8 56.4 2_645 2_645 2_645 no C18 H7 H9 70.6 2_645 2_645 2_645 no C18 H7 H15 40.8 2_645 2_645 2_645 no C18 H7 H16 17.7 2_645 2_645 2_645 no C18 H7 H26 87.5 2_645 2_645 2_645 no C18 H7 H30 92.4 2_645 2_645 2_645 no C18 H7 H31 56.2 2_645 2_645 2_645 no C31 H7 C35 91.0 3_675 3_675 3_675 no C31 H7 C35 36.1 3_675 3_675 3_675 no C31 H7 C36 21.0 3_675 3_675 3_675 no C31 H7 H1 109.1 3_675 3_675 3_675 no C31 H7 H4 98.3 3_675 3_675 3_675 no C31 H7 H5 84.8 3_675 3_675 3_675 no C31 H7 H6 72.0 3_675 3_675 3_675 no C31 H7 H8 123.0 3_675 3_675 3_675 no C31 H7 H9 68.2 3_675 3_675 3_675 no C31 H7 H15 59.8 3_675 3_675 3_675 no C31 H7 H16 118.3 3_675 3_675 3_675 no C31 H7 H26 40.8 3_675 3_675 3_675 no C31 H7 H30 88.2 3_675 3_675 3_675 no C31 H7 H31 101.9 3_675 3_675 3_675 no C35 H7 C35 110.4 2_645 2_645 2_645 no C35 H7 C36 92.2 2_645 2_645 2_645 no C35 H7 H1 96.4 2_645 2_645 2_645 no C35 H7 H4 165.9 2_645 2_645 2_645 no C35 H7 H5 126.2 2_645 2_645 2_645 no C35 H7 H6 67.7 2_645 2_645 2_645 no C35 H7 H8 112.8 2_645 2_645 2_645 no C35 H7 H9 123.0 2_645 2_645 2_645 no C35 H7 H15 66.7 2_645 2_645 2_645 no C35 H7 H16 63.1 2_645 2_645 2_645 no C35 H7 H26 51.2 2_645 2_645 2_645 no C35 H7 H30 30.6 2_645 2_645 2_645 no C35 H7 H31 11.7 2_645 2_645 2_645 no C35 H7 C36 20.7 3_675 3_675 3_675 no C35 H7 H1 76.6 3_675 3_675 3_675 no C35 H7 H4 72.7 3_675 3_675 3_675 no C35 H7 H5 48.7 3_675 3_675 3_675 no C35 H7 H6 57.0 3_675 3_675 3_675 no C35 H7 H8 131.8 3_675 3_675 3_675 no C35 H7 H9 83.6 3_675 3_675 3_675 no C35 H7 H15 95.8 3_675 3_675 3_675 no C35 H7 H16 154.2 3_675 3_675 3_675 no C35 H7 H26 62.4 3_675 3_675 3_675 no C35 H7 H30 90.9 3_675 3_675 3_675 no C35 H7 H31 121.8 3_675 3_675 3_675 no C36 H7 H1 88.1 3_675 3_675 3_675 no C36 H7 H4 92.7 3_675 3_675 3_675 no C36 H7 H5 67.4 3_675 3_675 3_675 no C36 H7 H6 53.8 3_675 3_675 3_675 no C36 H7 H8 139.8 3_675 3_675 3_675 no C36 H7 H9 84.9 3_675 3_675 3_675 no C36 H7 H15 79.2 3_675 3_675 3_675 no C36 H7 H16 136.4 3_675 3_675 3_675 no C36 H7 H26 42.2 3_675 3_675 3_675 no C36 H7 H30 79.0 3_675 3_675 3_675 no C36 H7 H31 103.9 3_675 3_675 3_675 no H1 H7 H4 70.6 . . . no H1 H7 H5 37.6 . . . no H1 H7 H6 48.0 . . . no H1 H7 H8 117.9 . . . no H1 H7 H9 140.2 . . . no H1 H7 H15 158.1 . . . no H1 H7 H16 127.6 . . . no H1 H7 H26 101.4 . . . no H1 H7 H30 68.6 . . . no H1 H7 H31 96.5 . . . no H4 H7 H5 45.1 2_545 2_545 2_545 no H4 H7 H6 105.1 2_545 2_545 2_545 no H4 H7 H8 70.8 2_545 2_545 2_545 no H4 H7 H9 70.6 2_545 2_545 2_545 no H4 H7 H15 127.3 2_545 2_545 2_545 no H4 H7 H16 120.2 2_545 2_545 2_545 no H4 H7 H26 134.9 2_545 2_545 2_545 no H4 H7 H30 138.5 2_545 2_545 2_545 no H4 H7 H31 158.8 2_545 2_545 2_545 no H5 H7 H6 60.0 . . . no H5 H7 H8 114.2 . . . no H5 H7 H9 104.9 . . . no H5 H7 H15 143.8 . . . no H5 H7 H16 156.2 . . . no H5 H7 H26 101.6 . . . no H5 H7 H30 95.5 . . . no H5 H7 H31 130.5 . . . no H6 H7 H8 164.5 . . . no H6 H7 H9 138.6 . . . no H6 H7 H15 110.7 . . . no H6 H7 H16 129.6 . . . no H6 H7 H26 53.4 . . . no H6 H7 H30 38.5 . . . no H6 H7 H31 75.5 . . . no H8 H7 H9 55.2 3_665 3_665 3_665 no H8 H7 H15 82.5 3_665 3_665 3_665 no H8 H7 H16 49.9 3_665 3_665 3_665 no H8 H7 H26 139.9 3_665 3_665 3_665 no H8 H7 H30 137.2 3_665 3_665 3_665 no H8 H7 H31 102.8 3_665 3_665 3_665 no H9 H7 H15 56.9 3_665 3_665 3_665 no H9 H7 H16 80.8 3_665 3_665 3_665 no H9 H7 H26 99.5 3_665 3_665 3_665 no H9 H7 H30 146.7 3_665 3_665 3_665 no H9 H7 H31 123.3 3_665 3_665 3_665 no H15 H7 H16 58.5 2_645 2_645 2_645 no H15 H7 H26 57.5 2_645 2_645 2_645 no H15 H7 H30 91.3 2_645 2_645 2_645 no H15 H7 H31 69.8 2_645 2_645 2_645 no H16 H7 H26 100.2 2_645 2_645 2_645 no H16 H7 H30 91.1 2_645 2_645 2_645 no H16 H7 H31 54.2 2_645 2_645 2_645 no H26 H7 H30 50.1 3_675 3_675 3_675 no H26 H7 H31 62.8 3_675 3_675 3_675 no H30 H7 H31 37.1 2_645 2_645 2_645 no O1 H8 N1 42.8 . . . no O1 H8 N2 69.4 . . . no O1 H8 C1 21.7 . . . no O1 H8 C1 62.6 . . . no O1 H8 C2 63.2 . . . no O1 H8 C4 63.5 . . . no O1 H8 C5 85.7 . . . no O1 H8 C6 78.2 . . . no O1 H8 C7 52.9 . . . no O1 H8 C8 76.1 . . . no O1 H8 C9 102.1 . . . no O1 H8 C10 93.2 . . . no O1 H8 C11 76.8 . . . no O1 H8 C11 108.8 . . . no O1 H8 C12 61.9 . . . no O1 H8 C13 146.7 . . . no O1 H8 C17 160.7 . . . no O1 H8 C18 151.8 . . . no O1 H8 H2 100.3 . . . no O1 H8 H4 43.7 . . . no O1 H8 H5 68.0 . . . no O1 H8 H6 87.9 . . . no O1 H8 H7 93.4 . . . no O1 H8 H9 119.3 . . . no O1 H8 H10 104.3 . . . no O1 H8 H15 144.7 . . . no O1 H8 H16 130.9 . . . no N1 H8 N2 91.1 . . . no N1 H8 C1 24.5 . . . no N1 H8 C1 76.8 . . . no N1 H8 C2 22.5 . . . no N1 H8 C4 98.1 . . . no N1 H8 C5 42.9 . . . no N1 H8 C6 119.5 . . . no N1 H8 C7 31.9 . . . no N1 H8 C8 66.5 . . . no N1 H8 C9 101.9 . . . no N1 H8 C10 88.7 . . . no N1 H8 C11 67.4 . . . no N1 H8 C11 84.5 . . . no N1 H8 C12 46.4 . . . no N1 H8 C13 114.6 . . . no N1 H8 C17 152.6 . . . no N1 H8 C18 130.5 . . . no N1 H8 H2 57.5 . . . no N1 H8 H4 76.3 . . . no N1 H8 H5 110.8 . . . no N1 H8 H6 128.6 . . . no N1 H8 H7 134.8 . . . no N1 H8 H9 127.5 . . . no N1 H8 H10 90.0 . . . no N1 H8 H15 172.0 . . . no N1 H8 H16 121.4 . . . no N2 H8 C1 71.4 3_665 3_665 3_665 no N2 H8 C1 15.6 3_665 3_665 3_665 no N2 H8 C2 92.4 3_665 3_665 3_665 no N2 H8 C4 23.3 3_665 3_665 3_665 no N2 H8 C5 110.8 3_665 3_665 3_665 no N2 H8 C6 47.7 3_665 3_665 3_665 no N2 H8 C7 118.5 3_665 3_665 3_665 no N2 H8 C8 145.0 3_665 3_665 3_665 no N2 H8 C9 149.6 3_665 3_665 3_665 no N2 H8 C10 153.6 3_665 3_665 3_665 no N2 H8 C11 145.5 3_665 3_665 3_665 no N2 H8 C11 68.5 3_665 3_665 3_665 no N2 H8 C12 130.5 3_665 3_665 3_665 no N2 H8 C13 91.2 3_665 3_665 3_665 no N2 H8 C17 94.5 3_665 3_665 3_665 no N2 H8 C18 84.8 3_665 3_665 3_665 no N2 H8 H2 116.6 3_665 3_665 3_665 no N2 H8 H4 91.3 3_665 3_665 3_665 no N2 H8 H5 60.5 3_665 3_665 3_665 no N2 H8 H6 49.8 3_665 3_665 3_665 no N2 H8 H7 55.9 3_665 3_665 3_665 no N2 H8 H9 133.5 3_665 3_665 3_665 no N2 H8 H10 54.1 3_665 3_665 3_665 no N2 H8 H15 91.0 3_665 3_665 3_665 no N2 H8 H16 64.6 3_665 3_665 3_665 no C1 H8 C1 59.6 . . . no C1 H8 C2 42.2 . . . no C1 H8 C4 74.3 . . . no C1 H8 C5 65.8 . . . no C1 H8 C6 95.1 . . . no C1 H8 C7 47.1 . . . no C1 H8 C8 78.8 . . . no C1 H8 C9 111.7 . . . no C1 H8 C10 99.9 . . . no C1 H8 C11 79.7 . . . no C1 H8 C11 90.6 . . . no C1 H8 C12 60.2 . . . no C1 H8 C13 127.4 . . . no C1 H8 C17 161.7 . . . no C1 H8 C18 138.4 . . . no C1 H8 H2 80.4 . . . no C1 H8 H4 63.6 . . . no C1 H8 H5 88.1 . . . no C1 H8 H6 104.1 . . . no C1 H8 H7 110.4 . . . no C1 H8 H9 134.3 . . . no C1 H8 H10 89.8 . . . no C1 H8 H15 161.1 . . . no C1 H8 H16 120.9 . . . no C1 H8 C2 76.8 3_665 3_665 3_665 no C1 H8 C4 35.6 3_665 3_665 3_665 no C1 H8 C5 95.7 3_665 3_665 3_665 no C1 H8 C6 62.0 3_665 3_665 3_665 no C1 H8 C7 106.3 3_665 3_665 3_665 no C1 H8 C8 137.8 3_665 3_665 3_665 no C1 H8 C9 159.3 3_665 3_665 3_665 no C1 H8 C10 155.4 3_665 3_665 3_665 no C1 H8 C11 138.6 3_665 3_665 3_665 no C1 H8 C11 61.4 3_665 3_665 3_665 no C1 H8 C12 119.7 3_665 3_665 3_665 no C1 H8 C13 91.3 3_665 3_665 3_665 no C1 H8 C17 104.3 3_665 3_665 3_665 no C1 H8 C18 89.5 3_665 3_665 3_665 no C1 H8 H2 102.9 3_665 3_665 3_665 no C1 H8 H4 94.0 3_665 3_665 3_665 no C1 H8 H5 72.4 3_665 3_665 3_665 no C1 H8 H6 65.1 3_665 3_665 3_665 no C1 H8 H7 71.4 3_665 3_665 3_665 no C1 H8 H9 148.9 3_665 3_665 3_665 no C1 H8 H10 49.0 3_665 3_665 3_665 no C1 H8 H15 104.3 3_665 3_665 3_665 no C1 H8 H16 68.4 3_665 3_665 3_665 no C2 H8 C4 107.2 . . . no C2 H8 C5 24.5 . . . no C2 H8 C6 133.3 . . . no C2 H8 C7 45.9 . . . no C2 H8 C8 77.0 . . . no C2 H8 C9 110.1 . . . no C2 H8 C10 97.3 . . . no C2 H8 C11 77.8 . . . no C2 H8 C11 64.3 . . . no C2 H8 C12 58.7 . . . no C2 H8 C13 92.2 . . . no C2 H8 C17 130.3 . . . no C2 H8 C18 108.2 . . . no C2 H8 H2 38.6 . . . no C2 H8 H4 98.7 . . . no C2 H8 H5 130.1 . . . no C2 H8 H6 140.0 . . . no C2 H8 H7 146.8 . . . no C2 H8 H9 133.5 . . . no C2 H8 H10 72.8 . . . no C2 H8 H15 149.7 . . . no C2 H8 H16 102.0 . . . no C4 H8 C5 129.6 3_665 3_665 3_665 no C4 H8 C6 27.2 3_665 3_665 3_665 no C4 H8 C7 116.3 3_665 3_665 3_665 no C4 H8 C8 129.7 3_665 3_665 3_665 no C4 H8 C9 126.5 3_665 3_665 3_665 no C4 H8 C10 131.0 3_665 3_665 3_665 no C4 H8 C11 129.9 3_665 3_665 3_665 no C4 H8 C11 91.4 3_665 3_665 3_665 no C4 H8 C12 123.3 3_665 3_665 3_665 no C4 H8 C13 108.0 3_665 3_665 3_665 no C4 H8 C17 97.6 3_665 3_665 3_665 no C4 H8 C18 97.0 3_665 3_665 3_665 no C4 H8 H2 138.4 3_665 3_665 3_665 no C4 H8 H4 71.6 3_665 3_665 3_665 no C4 H8 H5 37.3 3_665 3_665 3_665 no C4 H8 H6 32.8 3_665 3_665 3_665 no C4 H8 H7 39.6 3_665 3_665 3_665 no C4 H8 H9 114.5 3_665 3_665 3_665 no C4 H8 H10 76.5 3_665 3_665 3_665 no C4 H8 H15 86.8 3_665 3_665 3_665 no C4 H8 H16 79.8 3_665 3_665 3_665 no C5 H8 C6 156.7 . . . no C5 H8 C7 51.4 . . . no C5 H8 C8 71.6 . . . no C5 H8 C9 97.1 . . . no C5 H8 C10 86.6 . . . no C5 H8 C11 72.1 . . . no C5 H8 C11 60.6 . . . no C5 H8 C12 58.9 . . . no C5 H8 C13 76.1 . . . no C5 H8 C17 110.6 . . . no C5 H8 C18 93.2 . . . no C5 H8 H2 14.6 . . . no C5 H8 H4 113.2 . . . no C5 H8 H5 153.7 . . . no C5 H8 H6 160.5 . . . no C5 H8 H7 165.7 . . . no C5 H8 H9 115.3 . . . no C5 H8 H10 73.8 . . . no C5 H8 H15 129.3 . . . no C5 H8 H16 94.9 . . . no C6 H8 C7 125.2 3_665 3_665 3_665 no C6 H8 C8 119.6 3_665 3_665 3_665 no C6 H8 C9 102.6 3_665 3_665 3_665 no C6 H8 C10 110.8 3_665 3_665 3_665 no C6 H8 C11 119.3 3_665 3_665 3_665 no C6 H8 C11 108.9 3_665 3_665 3_665 no C6 H8 C12 124.5 3_665 3_665 3_665 no C6 H8 C13 109.0 3_665 3_665 3_665 no C6 H8 C17 83.1 3_665 3_665 3_665 no C6 H8 C18 93.2 3_665 3_665 3_665 no C6 H8 H2 164.0 3_665 3_665 3_665 no C6 H8 H4 65.3 3_665 3_665 3_665 no C6 H8 H5 18.7 3_665 3_665 3_665 no C6 H8 H6 9.8 3_665 3_665 3_665 no C6 H8 H7 15.4 3_665 3_665 3_665 no C6 H8 H9 87.4 3_665 3_665 3_665 no C6 H8 H10 93.8 3_665 3_665 3_665 no C6 H8 H15 67.2 3_665 3_665 3_665 no C6 H8 H16 83.4 3_665 3_665 3_665 no C7 H8 C8 34.6 . . . no C7 H8 C9 70.0 . . . no C7 H8 C10 56.8 . . . no C7 H8 C11 35.4 . . . no C7 H8 C11 109.2 . . . no C7 H8 C12 14.5 . . . no C7 H8 C13 125.3 . . . no C7 H8 C17 145.8 . . . no C7 H8 C18 141.6 . . . no C7 H8 H2 62.0 . . . no C7 H8 H4 62.4 . . . no C7 H8 H5 108.5 . . . no C7 H8 H6 134.5 . . . no C7 H8 H7 137.0 . . . no C7 H8 H9 95.5 . . . no C7 H8 H10 118.7 . . . no C7 H8 H15 149.2 . . . no C7 H8 H16 146.0 . . . no C8 H8 C9 35.4 . . . no C8 H8 C10 22.2 . . . no C8 H8 C11 0.9 . . . no C8 H8 C11 131.0 . . . no C8 H8 C12 20.1 . . . no C8 H8 C13 122.1 . . . no C8 H8 C17 117.9 . . . no C8 H8 C18 130.2 . . . no C8 H8 H2 74.9 . . . no C8 H8 H4 58.3 . . . no C8 H8 H5 101.2 . . . no C8 H8 H6 124.5 . . . no C8 H8 H7 122.1 . . . no C8 H8 H9 61.0 . . . no C8 H8 H10 145.3 . . . no C8 H8 H15 115.0 . . . no C8 H8 H16 150.0 . . . no C9 H8 C10 13.3 . . . no C9 H8 C11 34.5 . . . no C9 H8 C11 139.4 . . . no C9 H8 C12 55.5 . . . no C9 H8 C13 107.6 . . . no C9 H8 C17 86.4 . . . no C9 H8 C18 106.0 . . . no C9 H8 H2 93.3 . . . no C9 H8 H4 65.9 . . . no C9 H8 H5 89.2 . . . no C9 H8 H6 102.3 . . . no C9 H8 H7 97.1 . . . no C9 H8 H9 25.6 . . . no C9 H8 H10 151.2 . . . no C9 H8 H15 79.9 . . . no C9 H8 H16 126.4 . . . no C10 H8 C11 21.3 . . . no C10 H8 C11 137.7 . . . no C10 H8 C12 42.3 . . . no C10 H8 C13 112.9 . . . no C10 H8 C17 97.7 . . . no C10 H8 C18 114.9 . . . no C10 H8 H2 85.2 . . . no C10 H8 H4 63.0 . . . no C10 H8 H5 95.1 . . . no C10 H8 H6 112.2 . . . no C10 H8 H7 107.7 . . . no C10 H8 H9 38.8 . . . no C10 H8 H10 152.3 . . . no C10 H8 H15 92.9 . . . no C10 H8 H16 135.9 . . . no C11 H8 C11 131.4 . . . no C11 H8 C12 21.0 . . . no C11 H8 C13 121.8 . . . no C11 H8 C17 117.1 . . . no C11 H8 C18 129.6 . . . no C11 H8 H2 75.2 . . . no C11 H8 H4 58.5 . . . no C11 H8 H5 101.1 . . . no C11 H8 H6 124.1 . . . no C11 H8 H7 121.6 . . . no C11 H8 H9 60.1 . . . no C11 H8 H10 145.8 . . . no C11 H8 H15 114.1 . . . no C11 H8 H16 149.5 . . . no C11 H8 C12 119.2 4_465 4_465 4_465 no C11 H8 C13 37.9 4_465 4_465 4_465 no C11 H8 C17 72.9 4_465 4_465 4_465 no C11 H8 C18 48.3 4_465 4_465 4_465 no C11 H8 H2 56.1 4_465 4_465 4_465 no C11 H8 H4 151.9 4_465 4_465 4_465 no C11 H8 H5 126.4 4_465 4_465 4_465 no C11 H8 H6 104.5 4_465 4_465 4_465 no C11 H8 H7 106.5 4_465 4_465 4_465 no C11 H8 H9 131.5 4_465 4_465 4_465 no C11 H8 H10 15.2 4_465 4_465 4_465 no C11 H8 H15 89.2 4_465 4_465 4_465 no C11 H8 H16 37.7 4_465 4_465 4_465 no C12 H8 C13 125.7 . . . no C12 H8 C17 135.0 . . . no C12 H8 C18 139.4 . . . no C12 H8 H2 66.5 . . . no C12 H8 H4 59.2 . . . no C12 H8 H5 106.1 . . . no C12 H8 H6 132.3 . . . no C12 H8 H7 132.6 . . . no C12 H8 H9 81.1 . . . no C12 H8 H10 130.8 . . . no C12 H8 H15 134.9 . . . no C12 H8 H16 152.1 . . . no C13 H8 C17 38.7 4_465 4_465 4_465 no C13 H8 C18 17.1 4_465 4_465 4_465 no C13 H8 H2 63.6 4_465 4_465 4_465 no C13 H8 H4 168.8 4_465 4_465 4_465 no C13 H8 H5 126.2 4_465 4_465 4_465 no C13 H8 H6 100.1 4_465 4_465 4_465 no C13 H8 H7 97.6 4_465 4_465 4_465 no C13 H8 H9 93.8 4_465 4_465 4_465 no C13 H8 H10 44.1 4_465 4_465 4_465 no C13 H8 H15 57.7 4_465 4_465 4_465 no C13 H8 H16 28.2 4_465 4_465 4_465 no C17 H8 C18 24.6 4_465 4_465 4_465 no C17 H8 H2 96.3 4_465 4_465 4_465 no C17 H8 H4 130.2 4_465 4_465 4_465 no C17 H8 H5 95.2 4_465 4_465 4_465 no C17 H8 H6 73.4 4_465 4_465 4_465 no C17 H8 H7 68.3 4_465 4_465 4_465 no C17 H8 H9 63.9 4_465 4_465 4_465 no C17 H8 H10 72.1 4_465 4_465 4_465 no C17 H8 H15 19.4 4_465 4_465 4_465 no C17 H8 H16 40.8 4_465 4_465 4_465 no C18 H8 H2 80.6 4_465 4_465 4_465 no C18 H8 H4 152.9 4_465 4_465 4_465 no C18 H8 H5 109.6 4_465 4_465 4_465 no C18 H8 H6 83.9 4_465 4_465 4_465 no C18 H8 H7 80.9 4_465 4_465 4_465 no C18 H8 H9 86.7 4_465 4_465 4_465 no C18 H8 H10 48.9 4_465 4_465 4_465 no C18 H8 H15 42.2 4_465 4_465 4_465 no C18 H8 H16 21.0 4_465 4_465 4_465 no H2 H8 H4 124.4 . . . no H2 H8 H5 168.4 . . . no H2 H8 H6 160.5 . . . no H2 H8 H7 160.7 . . . no H2 H8 H9 106.8 . . . no H2 H8 H10 70.9 . . . no H2 H8 H15 114.8 . . . no H2 H8 H16 85.8 . . . no H4 H8 H5 47.0 4_565 4_565 4_565 no H4 H8 H6 73.4 4_565 4_565 4_565 no H4 H8 H7 74.8 4_565 4_565 4_565 no H4 H8 H9 76.6 4_565 4_565 4_565 no H4 H8 H10 142.8 4_565 4_565 4_565 no H4 H8 H15 111.3 4_565 4_565 4_565 no H4 H8 H16 148.6 4_565 4_565 4_565 no H5 H8 H6 26.4 3_665 3_665 3_665 no H5 H8 H7 28.7 3_665 3_665 3_665 no H5 H8 H9 80.0 3_665 3_665 3_665 no H5 H8 H10 111.2 3_665 3_665 3_665 no H5 H8 H15 76.8 3_665 3_665 3_665 no H5 H8 H16 101.8 3_665 3_665 3_665 no H6 H8 H7 6.9 3_665 3_665 3_665 no H6 H8 H9 83.8 3_665 3_665 3_665 no H6 H8 H10 90.0 3_665 3_665 3_665 no H6 H8 H15 57.8 3_665 3_665 3_665 no H6 H8 H16 75.6 3_665 3_665 3_665 no H7 H8 H9 77.5 3_665 3_665 3_665 no H7 H8 H10 92.6 3_665 3_665 3_665 no H7 H8 H15 51.8 3_665 3_665 3_665 no H7 H8 H16 74.9 3_665 3_665 3_665 no H9 H8 H10 135.6 . . . no H9 H8 H15 54.7 . . . no H9 H8 H16 104.7 . . . no H10 H8 H15 85.1 4_465 4_465 4_465 no H10 H8 H16 32.1 4_465 4_465 4_465 no H15 H8 H16 53.1 4_465 4_465 4_465 no C6 H9 C7 78.5 3_665 3_665 3_665 no C6 H9 C8 69.7 3_665 3_665 3_665 no C6 H9 C9 95.5 3_665 3_665 3_665 no C6 H9 C10 122.5 3_665 3_665 3_665 no C6 H9 C11 110.8 3_665 3_665 3_665 no C6 H9 C12 94.7 3_665 3_665 3_665 no C6 H9 C13 140.7 3_665 3_665 3_665 no C6 H9 C14 153.6 3_665 3_665 3_665 no C6 H9 C15 144.5 3_665 3_665 3_665 no C6 H9 C16 90.3 3_665 3_665 3_665 no C6 H9 C17 73.3 3_665 3_665 3_665 no C6 H9 C18 68.8 3_665 3_665 3_665 no C6 H9 C31 64.1 3_665 3_665 3_665 no C6 H9 C32 79.6 3_665 3_665 3_665 no C6 H9 C33 79.3 3_665 3_665 3_665 no C6 H9 H2 76.4 3_665 3_665 3_665 no C6 H9 H4 56.4 3_665 3_665 3_665 no C6 H9 H5 16.3 3_665 3_665 3_665 no C6 H9 H7 10.4 3_665 3_665 3_665 no C6 H9 H8 52.3 3_665 3_665 3_665 no C6 H9 H12 155.4 3_665 3_665 3_665 no C6 H9 H15 59.8 3_665 3_665 3_665 no C6 H9 H16 55.5 3_665 3_665 3_665 no C6 H9 H28 97.4 3_665 3_665 3_665 no C6 H9 H29 122.5 3_665 3_665 3_665 no C6 H9 H29 94.0 3_665 3_665 3_665 no C7 H9 C8 12.4 . . . no C7 H9 C9 21.0 . . . no C7 H9 C10 56.2 . . . no C7 H9 C11 41.8 . . . no C7 H9 C12 21.0 . . . no C7 H9 C13 89.3 . . . no C7 H9 C14 117.0 . . . no C7 H9 C15 125.2 . . . no C7 H9 C16 117.5 . . . no C7 H9 C17 104.4 . . . no C7 H9 C18 81.8 . . . no C7 H9 C31 141.0 . . . no C7 H9 C32 147.3 . . . no C7 H9 C33 125.9 . . . no C7 H9 H2 69.3 . . . no C7 H9 H4 52.8 . . . no C7 H9 H5 76.9 . . . no C7 H9 H7 78.4 . . . no C7 H9 H8 38.2 . . . no C7 H9 H12 126.0 . . . no C7 H9 H15 112.1 . . . no C7 H9 H16 69.4 . . . no C7 H9 H28 163.8 . . . no C7 H9 H29 80.9 . . . no C7 H9 H29 119.6 . . . no C8 H9 C9 33.3 . . . no C8 H9 C10 68.5 . . . no C8 H9 C11 54.2 . . . no C8 H9 C12 33.4 . . . no C8 H9 C13 101.7 . . . no C8 H9 C14 128.5 . . . no C8 H9 C15 137.2 . . . no C8 H9 C16 107.8 . . . no C8 H9 C17 93.1 . . . no C8 H9 C18 70.7 . . . no C8 H9 C31 133.7 . . . no C8 H9 C32 145.7 . . . no C8 H9 C33 129.5 . . . no C8 H9 H2 76.4 . . . no C8 H9 H4 55.8 . . . no C8 H9 H5 71.0 . . . no C8 H9 H7 68.1 . . . no C8 H9 H8 25.8 . . . no C8 H9 H12 134.0 . . . no C8 H9 H15 99.8 . . . no C8 H9 H16 57.4 . . . no C8 H9 H28 165.5 . . . no C8 H9 H29 79.5 . . . no C8 H9 H29 127.3 . . . no C9 H9 C10 35.2 . . . no C9 H9 C11 20.9 . . . no C9 H9 C12 1.3 . . . no C9 H9 C13 68.4 . . . no C9 H9 C14 96.6 . . . no C9 H9 C15 104.4 . . . no C9 H9 C16 130.2 . . . no C9 H9 C17 121.6 . . . no C9 H9 C18 99.4 . . . no C9 H9 C31 149.4 . . . no C9 H9 C32 143.1 . . . no C9 H9 C33 118.4 . . . no C9 H9 H2 61.4 . . . no C9 H9 H4 54.6 . . . no C9 H9 H5 89.8 . . . no C9 H9 H7 97.3 . . . no C9 H9 H8 59.1 . . . no C9 H9 H12 109.0 . . . no C9 H9 H15 132.3 . . . no C9 H9 H16 89.2 . . . no C9 H9 H28 149.0 . . . no C9 H9 H29 81.7 . . . no C9 H9 H29 106.5 . . . no C10 H9 C11 14.5 . . . no C10 H9 C12 35.2 . . . no C10 H9 C13 33.1 . . . no C10 H9 C14 62.4 . . . no C10 H9 C15 69.4 . . . no C10 H9 C16 139.4 . . . no C10 H9 C17 145.2 . . . no C10 H9 C18 127.8 . . . no C10 H9 C31 138.0 . . . no C10 H9 C32 119.9 . . . no C10 H9 C33 98.9 . . . no C10 H9 H2 56.8 . . . no C10 H9 H4 67.9 . . . no C10 H9 H5 110.6 . . . no C10 H9 H7 128.0 . . . no C10 H9 H8 94.3 . . . no C10 H9 H12 79.2 . . . no C10 H9 H15 163.5 . . . no C10 H9 H16 122.4 . . . no C10 H9 H28 116.1 . . . no C10 H9 H29 85.9 . . . no C10 H9 H29 81.8 . . . no C11 H9 C12 20.8 . . . no C11 H9 C13 47.5 . . . no C11 H9 C14 76.7 . . . no C11 H9 C15 83.9 . . . no C11 H9 C16 139.9 . . . no C11 H9 C17 138.3 . . . no C11 H9 C18 117.6 . . . no C11 H9 C31 144.5 . . . no C11 H9 C32 129.5 . . . no C11 H9 C33 106.1 . . . no C11 H9 H2 55.4 . . . no C11 H9 H4 59.7 . . . no C11 H9 H5 101.1 . . . no C11 H9 H7 114.9 . . . no C11 H9 H8 80.0 . . . no C11 H9 H12 92.2 . . . no C11 H9 H15 152.5 . . . no C11 H9 H16 109.5 . . . no C11 H9 H28 129.3 . . . no C11 H9 H29 85.5 . . . no C11 H9 H29 90.8 . . . no C12 H9 C13 68.4 . . . no C12 H9 C14 96.9 . . . no C12 H9 C15 104.6 . . . no C12 H9 C16 131.3 . . . no C12 H9 C17 122.4 . . . no C12 H9 C18 100.1 . . . no C12 H9 C31 148.1 . . . no C12 H9 C32 142.0 . . . no C12 H9 C33 117.3 . . . no C12 H9 H2 60.2 . . . no C12 H9 H4 53.3 . . . no C12 H9 H5 88.7 . . . no C12 H9 H7 96.7 . . . no C12 H9 H8 59.2 . . . no C12 H9 H12 109.7 . . . no C12 H9 H15 132.7 . . . no C12 H9 H16 89.6 . . . no C12 H9 H28 148.3 . . . no C12 H9 H29 83.0 . . . no C12 H9 H29 105.5 . . . no C13 H9 C14 31.2 . . . no C13 H9 C15 36.8 . . . no C13 H9 C16 127.9 . . . no C13 H9 C17 145.9 . . . no C13 H9 C18 146.7 . . . no C13 H9 C31 112.3 . . . no C13 H9 C32 92.4 . . . no C13 H9 C33 78.1 . . . no C13 H9 H2 64.3 . . . no C13 H9 H4 86.5 . . . no C13 H9 H5 124.5 . . . no C13 H9 H7 150.5 . . . no C13 H9 H8 127.4 . . . no C13 H9 H12 52.5 . . . no C13 H9 H15 155.2 . . . no C13 H9 H16 151.4 . . . no C13 H9 H28 84.0 . . . no C13 H9 H29 91.5 . . . no C13 H9 H29 59.9 . . . no C14 H9 C15 9.9 . . . no C14 H9 C16 99.6 . . . no C14 H9 C17 118.8 . . . no C14 H9 C18 131.6 . . . no C14 H9 C31 94.8 . . . no C14 H9 C32 76.7 . . . no C14 H9 C33 74.3 . . . no C14 H9 H2 88.9 . . . no C14 H9 H4 114.2 . . . no C14 H9 H5 140.8 . . . no C14 H9 H7 160.9 . . . no C14 H9 H8 151.5 . . . no C14 H9 H12 23.4 . . . no C14 H9 H15 124.0 . . . no C14 H9 H16 147.9 . . . no C14 H9 H28 61.5 . . . no C14 H9 H29 82.5 . . . no C14 H9 H29 60.1 . . . no C15 H9 C16 98.5 . . . no C15 H9 C17 117.6 . . . no C15 H9 C18 134.0 . . . no C15 H9 C31 85.0 . . . no C15 H9 C32 66.8 . . . no C15 H9 C33 65.4 . . . no C15 H9 H2 87.5 . . . no C15 H9 H4 113.6 . . . no C15 H9 H5 133.3 . . . no C15 H9 H7 151.0 . . . no C15 H9 H8 161.3 . . . no C15 H9 H12 25.8 . . . no C15 H9 H15 119.2 . . . no C15 H9 H16 151.3 . . . no C15 H9 H28 52.0 . . . no C15 H9 H29 89.7 . . . no C15 H9 H29 52.4 . . . no C16 H9 C17 19.2 4_465 4_465 4_465 no C16 H9 C18 38.3 4_465 4_465 4_465 no C16 H9 C31 75.2 4_465 4_465 4_465 no C16 H9 C32 86.6 4_465 4_465 4_465 no C16 H9 C33 111.3 4_465 4_465 4_465 no C16 H9 H2 163.8 4_465 4_465 4_465 no C16 H9 H4 145.6 4_465 4_465 4_465 no C16 H9 H5 105.5 4_465 4_465 4_465 no C16 H9 H7 81.3 4_465 4_465 4_465 no C16 H9 H8 87.8 4_465 4_465 4_465 no C16 H9 H12 76.5 4_465 4_465 4_465 no C16 H9 H15 31.1 4_465 4_465 4_465 no C16 H9 H16 54.7 4_465 4_465 4_465 no C16 H9 H28 77.9 4_465 4_465 4_465 no C16 H9 H29 54.6 4_465 4_465 4_465 no C16 H9 H29 122.5 4_465 4_465 4_465 no C17 H9 C18 22.6 4_465 4_465 4_465 no C17 H9 C31 76.1 4_465 4_465 4_465 no C17 H9 C32 92.2 4_465 4_465 4_465 no C17 H9 C33 115.3 4_465 4_465 4_465 no C17 H9 H2 149.7 4_465 4_465 4_465 no C17 H9 H4 126.7 4_465 4_465 4_465 no C17 H9 H5 89.3 4_465 4_465 4_465 no C17 H9 H7 63.6 4_465 4_465 4_465 no C17 H9 H8 70.4 4_465 4_465 4_465 no C17 H9 H12 95.6 4_465 4_465 4_465 no C17 H9 H15 19.4 4_465 4_465 4_465 no C17 H9 H16 36.9 4_465 4_465 4_465 no C17 H9 H28 89.2 4_465 4_465 4_465 no C17 H9 H29 61.1 4_465 4_465 4_465 no C17 H9 H29 130.9 4_465 4_465 4_465 no C18 H9 C31 94.0 4_465 4_465 4_465 no C18 H9 C32 112.2 4_465 4_465 4_465 no C18 H9 C33 132.4 4_465 4_465 4_465 no C18 H9 H2 138.4 4_465 4_465 4_465 no C18 H9 H4 112.3 4_465 4_465 4_465 no C18 H9 H5 84.7 4_465 4_465 4_465 no C18 H9 H7 58.4 4_465 4_465 4_465 no C18 H9 H8 49.5 4_465 4_465 4_465 no C18 H9 H12 108.8 4_465 4_465 4_465 no C18 H9 H15 35.8 4_465 4_465 4_465 no C18 H9 H16 17.4 4_465 4_465 4_465 no C18 H9 H28 111.6 4_465 4_465 4_465 no C18 H9 H29 55.5 4_465 4_465 4_465 no C18 H9 H29 150.2 4_465 4_465 4_465 no C31 H9 C32 19.9 1_545 1_545 1_545 no C31 H9 C33 39.2 1_545 1_545 1_545 no C31 H9 H2 90.6 1_545 1_545 1_545 no C31 H9 H4 94.9 1_545 1_545 1_545 no C31 H9 H5 64.1 1_545 1_545 1_545 no C31 H9 H7 66.9 1_545 1_545 1_545 no C31 H9 H8 113.7 1_545 1_545 1_545 no C31 H9 H12 92.2 1_545 1_545 1_545 no C31 H9 H15 58.5 1_545 1_545 1_545 no C31 H9 H16 96.1 1_545 1_545 1_545 no C31 H9 H28 33.6 1_545 1_545 1_545 no C31 H9 H29 128.0 1_545 1_545 1_545 no C31 H9 H29 56.3 1_545 1_545 1_545 no C32 H9 C33 24.7 1_545 1_545 1_545 no C32 H9 H2 82.1 1_545 1_545 1_545 no C32 H9 H4 94.7 1_545 1_545 1_545 no C32 H9 H5 75.3 1_545 1_545 1_545 no C32 H9 H7 84.3 1_545 1_545 1_545 no C32 H9 H8 131.5 1_545 1_545 1_545 no C32 H9 H12 79.0 1_545 1_545 1_545 no C32 H9 H15 76.4 1_545 1_545 1_545 no C32 H9 H16 115.9 1_545 1_545 1_545 no C32 H9 H28 19.7 1_545 1_545 1_545 no C32 H9 H29 131.7 1_545 1_545 1_545 no C32 H9 H29 38.7 1_545 1_545 1_545 no C33 H9 H2 57.7 1_545 1_545 1_545 no C33 H9 H4 73.9 1_545 1_545 1_545 no C33 H9 H5 68.8 1_545 1_545 1_545 no C33 H9 H7 87.6 1_545 1_545 1_545 no C33 H9 H8 128.6 1_545 1_545 1_545 no C33 H9 H12 86.1 1_545 1_545 1_545 no C33 H9 H15 97.6 1_545 1_545 1_545 no C33 H9 H16 129.8 1_545 1_545 1_545 no C33 H9 H28 38.1 1_545 1_545 1_545 no C33 H9 H29 150.4 1_545 1_545 1_545 no C33 H9 H29 18.2 1_545 1_545 1_545 no H2 H9 H4 26.2 4_565 4_565 4_565 no H2 H9 H5 60.5 4_565 4_565 4_565 no H2 H9 H7 86.2 4_565 4_565 4_565 no H2 H9 H8 91.2 4_565 4_565 4_565 no H2 H9 H12 112.3 4_565 4_565 4_565 no H2 H9 H15 133.7 4_565 4_565 4_565 no H2 H9 H16 121.0 4_565 4_565 4_565 no H2 H9 H28 94.5 4_565 4_565 4_565 no H2 H9 H29 140.9 4_565 4_565 4_565 no H2 H9 H29 50.9 4_565 4_565 4_565 no H4 H9 H5 42.8 4_565 4_565 4_565 no H4 H9 H7 64.7 4_565 4_565 4_565 no H4 H9 H8 65.8 4_565 4_565 4_565 no H4 H9 H12 137.6 4_565 4_565 4_565 no H4 H9 H15 116.1 4_565 4_565 4_565 no H4 H9 H16 94.9 4_565 4_565 4_565 no H4 H9 H28 111.9 4_565 4_565 4_565 no H4 H9 H29 133.6 4_565 4_565 4_565 no H4 H9 H29 73.1 4_565 4_565 4_565 no H5 H9 H7 26.6 3_665 3_665 3_665 no H5 H9 H8 60.1 3_665 3_665 3_665 no H5 H9 H12 154.0 3_665 3_665 3_665 no H5 H9 H15 74.5 3_665 3_665 3_665 no H5 H9 H16 70.5 3_665 3_665 3_665 no H5 H9 H28 94.8 3_665 3_665 3_665 no H5 H9 H29 136.7 3_665 3_665 3_665 no H5 H9 H29 81.0 3_665 3_665 3_665 no H7 H9 H8 47.2 3_665 3_665 3_665 no H7 H9 H12 152.8 3_665 3_665 3_665 no H7 H9 H15 51.6 3_665 3_665 3_665 no H7 H9 H16 45.5 3_665 3_665 3_665 no H7 H9 H28 100.4 3_665 3_665 3_665 no H7 H9 H29 112.5 3_665 3_665 3_665 no H7 H9 H29 103.2 3_665 3_665 3_665 no H8 H9 H12 145.2 . . . no H8 H9 H15 74.3 . . . no H8 H9 H16 33.6 . . . no H8 H9 H28 146.7 . . . no H8 H9 H29 79.5 . . . no H8 H9 H29 136.8 . . . no H12 H9 H15 103.2 . . . no H12 H9 H16 125.9 . . . no H12 H9 H28 59.9 . . . no H12 H9 H29 66.0 . . . no H12 H9 H29 76.5 . . . no H15 H9 H16 43.2 4_465 4_465 4_465 no H15 H9 H28 78.2 4_465 4_465 4_465 no H15 H9 H29 80.3 4_465 4_465 4_465 no H15 H9 H29 114.7 4_465 4_465 4_465 no H16 H9 H28 121.2 4_465 4_465 4_465 no H16 H9 H29 67.1 4_465 4_465 4_465 no H16 H9 H29 147.4 4_465 4_465 4_465 no H28 H9 H29 114.0 1_545 1_545 1_545 no H28 H9 H29 44.6 1_545 1_545 1_545 no H29 H9 H29 142.1 4_475 4_475 4_475 no O1 H10 N2 48.9 2_655 2_655 2_655 no O1 H10 C1 23.2 2_655 2_655 2_655 no O1 H10 C3 58.2 2_655 2_655 2_655 no O1 H10 C7 101.0 2_655 2_655 2_655 no O1 H10 C8 121.0 2_655 2_655 2_655 no O1 H10 C9 140.7 2_655 2_655 2_655 no O1 H10 C10 153.8 2_655 2_655 2_655 no O1 H10 C11 122.1 2_655 2_655 2_655 no O1 H10 C12 89.2 2_655 2_655 2_655 no O1 H10 C13 161.9 2_655 2_655 2_655 no O1 H10 C17 129.1 2_655 2_655 2_655 no O1 H10 C18 133.2 2_655 2_655 2_655 no O1 H10 H1 47.4 2_655 2_655 2_655 no O1 H10 H2 103.5 2_655 2_655 2_655 no O1 H10 H5 73.1 2_655 2_655 2_655 no O1 H10 H6 96.1 2_655 2_655 2_655 no O1 H10 H8 88.1 2_655 2_655 2_655 no O1 H10 H11 63.7 2_655 2_655 2_655 no O1 H10 H16 110.9 2_655 2_655 2_655 no O1 H10 H31 92.9 2_655 2_655 2_655 no O1 H10 H32 127.7 2_655 2_655 2_655 no N2 H10 C1 26.1 2_655 2_655 2_655 no N2 H10 C3 92.3 2_655 2_655 2_655 no N2 H10 C7 143.7 2_655 2_655 2_655 no N2 H10 C8 154.1 2_655 2_655 2_655 no N2 H10 C9 150.3 2_655 2_655 2_655 no N2 H10 C10 142.7 2_655 2_655 2_655 no N2 H10 C11 154.3 2_655 2_655 2_655 no N2 H10 C12 134.4 2_655 2_655 2_655 no N2 H10 C13 115.4 2_655 2_655 2_655 no N2 H10 C17 80.3 2_655 2_655 2_655 no N2 H10 C18 85.0 2_655 2_655 2_655 no N2 H10 H1 80.7 2_655 2_655 2_655 no N2 H10 H2 94.6 2_655 2_655 2_655 no N2 H10 H5 74.9 2_655 2_655 2_655 no N2 H10 H6 100.4 2_655 2_655 2_655 no N2 H10 H8 52.5 2_655 2_655 2_655 no N2 H10 H11 111.6 2_655 2_655 2_655 no N2 H10 H16 63.6 2_655 2_655 2_655 no N2 H10 H31 55.1 2_655 2_655 2_655 no N2 H10 H32 94.8 2_655 2_655 2_655 no C1 H10 C3 71.2 2_655 2_655 2_655 no C1 H10 C7 123.4 2_655 2_655 2_655 no C1 H10 C8 142.0 2_655 2_655 2_655 no C1 H10 C9 157.1 2_655 2_655 2_655 no C1 H10 C10 162.0 2_655 2_655 2_655 no C1 H10 C11 143.0 2_655 2_655 2_655 no C1 H10 C12 111.9 2_655 2_655 2_655 no C1 H10 C13 141.4 2_655 2_655 2_655 no C1 H10 C17 106.3 2_655 2_655 2_655 no C1 H10 C18 111.1 2_655 2_655 2_655 no C1 H10 H1 59.2 2_655 2_655 2_655 no C1 H10 H2 103.5 2_655 2_655 2_655 no C1 H10 H5 69.1 2_655 2_655 2_655 no C1 H10 H6 95.6 2_655 2_655 2_655 no C1 H10 H8 72.7 2_655 2_655 2_655 no C1 H10 H11 86.9 2_655 2_655 2_655 no C1 H10 H16 89.5 2_655 2_655 2_655 no C1 H10 H31 72.5 2_655 2_655 2_655 no C1 H10 H32 111.1 2_655 2_655 2_655 no C3 H10 C7 84.3 3_675 3_675 3_675 no C3 H10 C8 100.3 3_675 3_675 3_675 no C3 H10 C9 116.4 3_675 3_675 3_675 no C3 H10 C10 124.6 3_675 3_675 3_675 no C3 H10 C11 101.2 3_675 3_675 3_675 no C3 H10 C12 75.1 3_675 3_675 3_675 no C3 H10 C13 138.6 3_675 3_675 3_675 no C3 H10 C17 140.4 3_675 3_675 3_675 no C3 H10 C18 146.5 3_675 3_675 3_675 no C3 H10 H1 12.0 3_675 3_675 3_675 no C3 H10 H2 146.0 3_675 3_675 3_675 no C3 H10 H5 41.3 3_675 3_675 3_675 no C3 H10 H6 46.6 3_675 3_675 3_675 no C3 H10 H8 143.8 3_675 3_675 3_675 no C3 H10 H11 57.2 3_675 3_675 3_675 no C3 H10 H16 144.6 3_675 3_675 3_675 no C3 H10 H31 92.0 3_675 3_675 3_675 no C3 H10 H32 94.9 3_675 3_675 3_675 no C7 H10 C8 20.9 . . . no C7 H10 C9 42.2 . . . no C7 H10 C10 56.5 . . . no C7 H10 C11 22.1 . . . no C7 H10 C12 12.2 . . . no C7 H10 C13 89.2 . . . no C7 H10 C17 123.6 . . . no C7 H10 C18 116.6 . . . no C7 H10 H1 92.1 . . . no C7 H10 H2 70.6 . . . no C7 H10 H5 120.5 . . . no C7 H10 H6 103.2 . . . no C7 H10 H8 117.8 . . . no C7 H10 H11 38.5 . . . no C7 H10 H16 130.6 . . . no C7 H10 H31 160.8 . . . no C7 H10 H32 121.5 . . . no C8 H10 C9 21.3 . . . no C8 H10 C10 35.6 . . . no C8 H10 C11 1.2 . . . no C8 H10 C12 33.1 . . . no C8 H10 C13 68.3 . . . no C8 H10 C17 102.9 . . . no C8 H10 C18 96.2 . . . no C8 H10 H1 109.9 . . . no C8 H10 H2 62.6 . . . no C8 H10 H5 128.6 . . . no C8 H10 H6 104.8 . . . no C8 H10 H8 109.2 . . . no C8 H10 H11 59.4 . . . no C8 H10 H16 112.5 . . . no C8 H10 H31 145.5 . . . no C8 H10 H32 106.5 . . . no C9 H10 C10 14.3 . . . no C9 H10 C11 20.2 . . . no C9 H10 C12 54.5 . . . no C9 H10 C13 47.0 . . . no C9 H10 C17 81.7 . . . no C9 H10 C18 75.2 . . . no C9 H10 H1 127.4 . . . no C9 H10 H2 57.5 . . . no C9 H10 H5 131.6 . . . no C9 H10 H6 104.9 . . . no C9 H10 H8 97.9 . . . no C9 H10 H11 80.8 . . . no C9 H10 H16 93.1 . . . no C9 H10 H31 126.3 . . . no C9 H10 H32 90.4 . . . no C10 H10 C11 34.5 . . . no C10 H10 C12 68.8 . . . no C10 H10 C13 32.7 . . . no C10 H10 C17 67.9 . . . no C10 H10 C18 61.6 . . . no C10 H10 H1 136.5 . . . no C10 H10 H2 58.7 . . . no C10 H10 H5 128.0 . . . no C10 H10 H6 101.9 . . . no C10 H10 H8 91.4 . . . no C10 H10 H11 95.0 . . . no C10 H10 H16 80.8 . . . no C10 H10 H31 112.3 . . . no C10 H10 H32 78.3 . . . no C11 H10 C12 34.3 . . . no C11 H10 C13 67.1 . . . no C11 H10 C17 101.8 . . . no C11 H10 C18 95.1 . . . no C11 H10 H1 110.8 . . . no C11 H10 H2 62.3 . . . no C11 H10 H5 128.9 . . . no C11 H10 H6 104.8 . . . no C11 H10 H8 108.7 . . . no C11 H10 H11 60.6 . . . no C11 H10 H16 111.5 . . . no C11 H10 H31 144.5 . . . no C11 H10 H32 105.6 . . . no C12 H10 C13 101.4 . . . no C12 H10 C17 135.6 . . . no C12 H10 C18 128.5 . . . no C12 H10 H1 81.7 . . . no C12 H10 H2 76.4 . . . no C12 H10 H5 114.1 . . . no C12 H10 H6 101.5 . . . no C12 H10 H8 121.2 . . . no C12 H10 H11 26.3 . . . no C12 H10 H16 140.3 . . . no C12 H10 H31 163.3 . . . no C12 H10 H32 129.3 . . . no C13 H10 C17 35.8 . . . no C13 H10 C18 30.4 . . . no C13 H10 H1 148.2 . . . no C13 H10 H2 65.6 . . . no C13 H10 H5 114.5 . . . no C13 H10 H6 96.1 . . . no C13 H10 H8 73.8 . . . no C13 H10 H11 127.7 . . . no C13 H10 H16 52.0 . . . no C13 H10 H31 81.1 . . . no C13 H10 H32 54.8 . . . no C17 H10 C18 7.4 . . . no C17 H10 H1 139.1 . . . no C17 H10 H2 73.6 . . . no C17 H10 H5 99.8 . . . no C17 H10 H6 96.2 . . . no C17 H10 H8 51.6 . . . no C17 H10 H11 160.3 . . . no C17 H10 H16 20.3 . . . no C17 H10 H31 52.0 . . . no C17 H10 H32 47.8 . . . no C18 H10 H1 146.3 . . . no C18 H10 H2 67.4 . . . no C18 H10 H5 106.6 . . . no C18 H10 H6 101.0 . . . no C18 H10 H8 50.8 . . . no C18 H10 H11 152.9 . . . no C18 H10 H16 22.3 . . . no C18 H10 H31 59.3 . . . no C18 H10 H32 52.3 . . . no H1 H10 H2 143.9 3_675 3_675 3_675 no H1 H10 H5 40.1 3_675 3_675 3_675 no H1 H10 H6 52.7 3_675 3_675 3_675 no H1 H10 H8 131.8 3_675 3_675 3_675 no H1 H10 H11 60.2 3_675 3_675 3_675 no H1 H10 H16 137.2 3_675 3_675 3_675 no H1 H10 H31 87.6 3_675 3_675 3_675 no H1 H10 H32 98.6 3_675 3_675 3_675 no H2 H10 H5 168.7 4_565 4_565 4_565 no H2 H10 H6 160.2 4_565 4_565 4_565 no H2 H10 H8 47.7 4_565 4_565 4_565 no H2 H10 H11 89.4 4_565 4_565 4_565 no H2 H10 H16 66.0 4_565 4_565 4_565 no H2 H10 H31 119.0 4_565 4_565 4_565 no H2 H10 H32 117.5 4_565 4_565 4_565 no H5 H10 H6 26.8 3_675 3_675 3_675 no H5 H10 H8 121.0 3_675 3_675 3_675 no H5 H10 H11 98.5 3_675 3_675 3_675 no H5 H10 H16 104.6 3_675 3_675 3_675 no H5 H10 H31 51.3 3_675 3_675 3_675 no H5 H10 H32 60.1 3_675 3_675 3_675 no H6 H10 H8 137.2 3_675 3_675 3_675 no H6 H10 H11 96.9 3_675 3_675 3_675 no H6 H10 H16 109.5 3_675 3_675 3_675 no H6 H10 H31 61.9 3_675 3_675 3_675 no H6 H10 H32 48.7 3_675 3_675 3_675 no H8 H10 H11 122.5 4_565 4_565 4_565 no H8 H10 H16 32.5 4_565 4_565 4_565 no H8 H10 H31 75.4 4_565 4_565 4_565 no H8 H10 H32 96.3 4_565 4_565 4_565 no H11 H10 H16 153.5 . . . no H11 H10 H31 147.7 . . . no H11 H10 H32 141.0 . . . no H16 H10 H31 53.3 . . . no H16 H10 H32 64.1 . . . no H31 H10 H32 39.9 . . . no O1 H11 O1 129.3 . . . no O1 H11 N1 38.9 . . . no O1 H11 C1 20.3 . . . no O1 H11 C1 128.9 . . . no O1 H11 C2 60.7 . . . no O1 H11 C2 60.0 . . . no O1 H11 C2 135.0 . . . no O1 H11 C3 53.7 . . . no O1 H11 C3 158.1 . . . no O1 H11 C4 69.7 . . . no O1 H11 C5 81.9 . . . no O1 H11 C5 114.3 . . . no O1 H11 C7 47.0 . . . no O1 H11 C8 55.6 . . . no O1 H11 C9 70.8 . . . no O1 H11 C10 88.2 . . . no O1 H11 C11 98.2 . . . no O1 H11 C12 71.7 . . . no O1 H11 H1 36.9 . . . no O1 H11 H1 172.5 . . . no O1 H11 H2 78.9 . . . no O1 H11 H2 111.5 . . . no O1 H11 H3 97.7 . . . no O1 H11 H3 96.1 . . . no O1 H11 H4 115.6 . . . no O1 H11 H5 68.7 . . . no O1 H11 H10 118.7 . . . no O1 H11 N1 167.3 2_655 2_655 2_655 no O1 H11 C1 143.7 2_655 2_655 2_655 no O1 H11 C1 6.2 2_655 2_655 2_655 no O1 H11 C2 162.3 2_655 2_655 2_655 no O1 H11 C2 73.2 2_655 2_655 2_655 no O1 H11 C2 79.1 2_655 2_655 2_655 no O1 H11 C3 75.6 2_655 2_655 2_655 no O1 H11 C3 66.6 2_655 2_655 2_655 no O1 H11 C4 60.6 2_655 2_655 2_655 no O1 H11 C5 148.6 2_655 2_655 2_655 no O1 H11 C5 79.6 2_655 2_655 2_655 no O1 H11 C7 150.6 2_655 2_655 2_655 no O1 H11 C8 137.4 2_655 2_655 2_655 no O1 H11 C9 117.2 2_655 2_655 2_655 no O1 H11 C10 97.1 2_655 2_655 2_655 no O1 H11 C11 84.8 2_655 2_655 2_655 no O1 H11 C12 117.9 2_655 2_655 2_655 no O1 H11 H1 92.6 2_655 2_655 2_655 no O1 H11 H1 48.5 2_655 2_655 2_655 no O1 H11 H2 150.0 2_655 2_655 2_655 no O1 H11 H2 77.7 2_655 2_655 2_655 no O1 H11 H3 132.8 2_655 2_655 2_655 no O1 H11 H3 100.1 2_655 2_655 2_655 no O1 H11 H4 62.2 2_655 2_655 2_655 no O1 H11 H5 74.5 2_655 2_655 2_655 no O1 H11 H10 59.2 2_655 2_655 2_655 no N1 H11 C1 23.6 . . . no N1 H11 C1 167.8 . . . no N1 H11 C2 23.3 . . . no N1 H11 C2 97.3 . . . no N1 H11 C2 107.2 . . . no N1 H11 C3 92.6 . . . no N1 H11 C3 123.2 . . . no N1 H11 C4 106.9 . . . no N1 H11 C5 43.0 . . . no N1 H11 C5 100.8 . . . no N1 H11 C7 31.7 . . . no N1 H11 C8 46.0 . . . no N1 H11 C9 67.0 . . . no N1 H11 C10 88.0 . . . no N1 H11 C11 100.6 . . . no N1 H11 C12 66.7 . . . no N1 H11 H1 75.3 . . . no N1 H11 H1 142.2 . . . no N1 H11 H2 42.6 . . . no N1 H11 H2 101.6 . . . no N1 H11 H3 58.7 . . . no N1 H11 H3 79.5 . . . no N1 H11 H4 115.3 . . . no N1 H11 H5 94.0 . . . no N1 H11 H10 127.0 . . . no C1 H11 C1 145.4 . . . no C1 H11 C2 42.1 . . . no C1 H11 C2 79.8 . . . no C1 H11 C2 116.1 . . . no C1 H11 C3 71.1 . . . no C1 H11 C3 138.1 . . . no C1 H11 C4 83.5 . . . no C1 H11 C5 65.3 . . . no C1 H11 C5 99.6 . . . no C1 H11 C7 45.8 . . . no C1 H11 C8 58.5 . . . no C1 H11 C9 78.0 . . . no C1 H11 C10 98.3 . . . no C1 H11 C11 110.1 . . . no C1 H11 C12 78.3 . . . no C1 H11 H1 53.1 . . . no C1 H11 H1 156.4 . . . no C1 H11 H2 66.2 . . . no C1 H11 H2 98.1 . . . no C1 H11 H3 80.5 . . . no C1 H11 H3 79.3 . . . no C1 H11 H4 106.9 . . . no C1 H11 H5 72.1 . . . no C1 H11 H10 134.5 . . . no C1 H11 C2 167.5 2_655 2_655 2_655 no C1 H11 C2 70.8 2_655 2_655 2_655 no C1 H11 C2 83.2 2_655 2_655 2_655 no C1 H11 C3 75.3 2_655 2_655 2_655 no C1 H11 C3 68.7 2_655 2_655 2_655 no C1 H11 C4 62.0 2_655 2_655 2_655 no C1 H11 C5 149.0 2_655 2_655 2_655 no C1 H11 C5 85.4 2_655 2_655 2_655 no C1 H11 C7 144.7 2_655 2_655 2_655 no C1 H11 C8 131.2 2_655 2_655 2_655 no C1 H11 C9 111.0 2_655 2_655 2_655 no C1 H11 C10 90.9 2_655 2_655 2_655 no C1 H11 C11 78.6 2_655 2_655 2_655 no C1 H11 C12 111.7 2_655 2_655 2_655 no C1 H11 H1 92.8 2_655 2_655 2_655 no C1 H11 H1 49.9 2_655 2_655 2_655 no C1 H11 H2 147.2 2_655 2_655 2_655 no C1 H11 H2 83.6 2_655 2_655 2_655 no C1 H11 H3 133.3 2_655 2_655 2_655 no C1 H11 H3 106.1 2_655 2_655 2_655 no C1 H11 H4 68.3 2_655 2_655 2_655 no C1 H11 H5 78.8 2_655 2_655 2_655 no C1 H11 H10 53.3 2_655 2_655 2_655 no C2 H11 C2 120.3 . . . no C2 H11 C2 84.4 . . . no C2 H11 C3 113.1 . . . no C2 H11 C3 100.1 . . . no C2 H11 C4 123.1 . . . no C2 H11 C5 24.6 . . . no C2 H11 C5 82.8 . . . no C2 H11 C7 46.9 . . . no C2 H11 C8 59.6 . . . no C2 H11 C9 78.9 . . . no C2 H11 C10 97.8 . . . no C2 H11 C11 109.4 . . . no C2 H11 C12 77.9 . . . no C2 H11 H1 95.1 . . . no C2 H11 H1 119.3 . . . no C2 H11 H2 32.7 . . . no C2 H11 H2 85.0 . . . no C2 H11 H3 38.8 . . . no C2 H11 H3 62.7 . . . no C2 H11 H4 100.9 . . . no C2 H11 H5 100.3 . . . no C2 H11 H10 132.7 . . . no C2 H11 C2 147.8 4_565 4_565 4_565 no C2 H11 C3 19.2 4_565 4_565 4_565 no C2 H11 C3 139.5 4_565 4_565 4_565 no C2 H11 C4 34.4 4_565 4_565 4_565 no C2 H11 C5 136.9 4_565 4_565 4_565 no C2 H11 C5 128.5 4_565 4_565 4_565 no C2 H11 C7 86.2 4_565 4_565 4_565 no C2 H11 C8 81.6 4_565 4_565 4_565 no C2 H11 C9 76.0 4_565 4_565 4_565 no C2 H11 C10 73.9 4_565 4_565 4_565 no C2 H11 C11 72.8 4_565 4_565 4_565 no C2 H11 C12 77.8 4_565 4_565 4_565 no C2 H11 H1 32.3 4_565 4_565 4_565 no C2 H11 H1 120.4 4_565 4_565 4_565 no C2 H11 H2 125.7 4_565 4_565 4_565 no C2 H11 H2 123.1 4_565 4_565 4_565 no C2 H11 H3 150.9 4_565 4_565 4_565 no C2 H11 H3 130.3 4_565 4_565 4_565 no C2 H11 H4 109.9 4_565 4_565 4_565 no C2 H11 H5 64.2 4_565 4_565 4_565 no C2 H11 H10 73.8 4_565 4_565 4_565 no C2 H11 C3 136.0 3_675 3_675 3_675 no C2 H11 C3 24.0 3_675 3_675 3_675 no C2 H11 C4 116.0 3_675 3_675 3_675 no C2 H11 C5 73.9 3_675 3_675 3_675 no C2 H11 C5 27.2 3_675 3_675 3_675 no C2 H11 C7 125.4 3_675 3_675 3_675 no C2 H11 C8 130.5 3_675 3_675 3_675 no C2 H11 C9 132.7 3_675 3_675 3_675 no C2 H11 C10 126.4 3_675 3_675 3_675 no C2 H11 C11 121.0 3_675 3_675 3_675 no C2 H11 C12 130.9 3_675 3_675 3_675 no C2 H11 H1 136.8 3_675 3_675 3_675 no C2 H11 H1 40.3 3_675 3_675 3_675 no C2 H11 H2 86.4 3_675 3_675 3_675 no C2 H11 H2 32.2 3_675 3_675 3_675 no C2 H11 H3 61.1 3_675 3_675 3_675 no C2 H11 H3 39.9 3_675 3_675 3_675 no C2 H11 H4 40.5 3_675 3_675 3_675 no C2 H11 H5 93.0 3_675 3_675 3_675 no C2 H11 H10 105.6 3_675 3_675 3_675 no C3 H11 C3 139.5 4_565 4_565 4_565 no C3 H11 C4 20.6 4_565 4_565 4_565 no C3 H11 C5 135.6 4_565 4_565 4_565 no C3 H11 C5 111.9 4_565 4_565 4_565 no C3 H11 C7 91.7 4_565 4_565 4_565 no C3 H11 C8 91.5 4_565 4_565 4_565 no C3 H11 C9 91.1 4_565 4_565 4_565 no C3 H11 C10 92.3 4_565 4_565 4_565 no C3 H11 C11 92.0 4_565 4_565 4_565 no C3 H11 C12 92.9 4_565 4_565 4_565 no C3 H11 H1 18.1 4_565 4_565 4_565 no C3 H11 H1 123.8 4_565 4_565 4_565 no C3 H11 H2 130.5 4_565 4_565 4_565 no C3 H11 H2 106.4 4_565 4_565 4_565 no C3 H11 H3 151.3 4_565 4_565 4_565 no C3 H11 H3 111.2 4_565 4_565 4_565 no C3 H11 H4 95.6 4_565 4_565 4_565 no C3 H11 H5 45.7 4_565 4_565 4_565 no C3 H11 H10 91.5 4_565 4_565 4_565 no C3 H11 C4 119.7 3_675 3_675 3_675 no C3 H11 C5 82.4 3_675 3_675 3_675 no C3 H11 C5 48.6 3_675 3_675 3_675 no C3 H11 C7 128.5 3_675 3_675 3_675 no C3 H11 C8 126.2 3_675 3_675 3_675 no C3 H11 C9 118.5 3_675 3_675 3_675 no C3 H11 C10 105.9 3_675 3_675 3_675 no C3 H11 C11 98.4 3_675 3_675 3_675 no C3 H11 C12 117.0 3_675 3_675 3_675 no C3 H11 H1 150.6 3_675 3_675 3_675 no C3 H11 H1 19.4 3_675 3_675 3_675 no C3 H11 H2 89.9 3_675 3_675 3_675 no C3 H11 H2 52.6 3_675 3_675 3_675 no C3 H11 H3 66.9 3_675 3_675 3_675 no C3 H11 H3 63.9 3_675 3_675 3_675 no C3 H11 H4 54.3 3_675 3_675 3_675 no C3 H11 H5 107.7 3_675 3_675 3_675 no C3 H11 H10 81.7 3_675 3_675 3_675 no C4 H11 C5 147.7 4_565 4_565 4_565 no C4 H11 C5 94.1 4_565 4_565 4_565 no C4 H11 C7 111.7 4_565 4_565 4_565 no C4 H11 C8 112.1 4_565 4_565 4_565 no C4 H11 C9 110.1 4_565 4_565 4_565 no C4 H11 C10 107.2 4_565 4_565 4_565 no C4 H11 C11 103.4 4_565 4_565 4_565 no C4 H11 C12 112.0 4_565 4_565 4_565 no C4 H11 H1 33.1 4_565 4_565 4_565 no C4 H11 H1 106.2 4_565 4_565 4_565 no C4 H11 H2 148.5 4_565 4_565 4_565 no C4 H11 H2 88.7 4_565 4_565 4_565 no C4 H11 H3 159.4 4_565 4_565 4_565 no C4 H11 H3 98.6 4_565 4_565 4_565 no C4 H11 H4 76.1 4_565 4_565 4_565 no C4 H11 H5 32.7 4_565 4_565 4_565 no C4 H11 H10 94.3 4_565 4_565 4_565 no C5 H11 C5 83.6 . . . no C5 H11 C7 51.5 . . . no C5 H11 C8 59.2 . . . no C5 H11 C9 72.7 . . . no C5 H11 C10 86.4 . . . no C5 H11 C11 95.4 . . . no C5 H11 C12 71.2 . . . no C5 H11 H1 118.2 . . . no C5 H11 H1 100.1 . . . no C5 H11 H2 15.9 . . . no C5 H11 H2 87.6 . . . no C5 H11 H3 15.8 . . . no C5 H11 H3 68.7 . . . no C5 H11 H4 104.1 . . . no C5 H11 H5 122.2 . . . no C5 H11 H10 113.2 . . . no C5 H11 C7 129.7 3_675 3_675 3_675 no C5 H11 C8 141.6 3_675 3_675 3_675 no C5 H11 C9 155.0 3_675 3_675 3_675 no C5 H11 C10 153.6 3_675 3_675 3_675 no C5 H11 C11 146.9 3_675 3_675 3_675 no C5 H11 C12 153.2 3_675 3_675 3_675 no C5 H11 H1 109.7 3_675 3_675 3_675 no C5 H11 H1 59.0 3_675 3_675 3_675 no C5 H11 H2 99.1 3_675 3_675 3_675 no C5 H11 H2 5.5 3_675 3_675 3_675 no C5 H11 H3 75.9 3_675 3_675 3_675 no C5 H11 H3 21.4 3_675 3_675 3_675 no C5 H11 H4 20.6 3_675 3_675 3_675 no C5 H11 H5 66.8 3_675 3_675 3_675 no C5 H11 H10 125.9 3_675 3_675 3_675 no C7 H11 C8 14.3 . . . no C7 H11 C9 35.3 . . . no C7 H11 C10 56.4 . . . no C7 H11 C11 69.0 . . . no C7 H11 C12 35.0 . . . no C7 H11 H1 79.7 . . . no C7 H11 H1 139.3 . . . no C7 H11 H2 39.8 . . . no C7 H11 H2 131.7 . . . no C7 H11 H3 64.8 . . . no C7 H11 H3 109.3 . . . no C7 H11 H4 146.8 . . . no C7 H11 H5 115.4 . . . no C7 H11 H10 95.4 . . . no C8 H11 C9 21.0 . . . no C8 H11 C10 42.1 . . . no C8 H11 C11 54.7 . . . no C8 H11 C12 20.8 . . . no C8 H11 H1 83.1 . . . no C8 H11 H1 131.6 . . . no C8 H11 H2 44.8 . . . no C8 H11 H2 144.5 . . . no C8 H11 H3 69.9 . . . no C8 H11 H3 122.3 . . . no C8 H11 H4 160.5 . . . no C8 H11 H5 123.9 . . . no C8 H11 H10 81.1 . . . no C9 H11 C10 21.1 . . . no C9 H11 C11 33.7 . . . no C9 H11 C12 1.9 . . . no C9 H11 H1 89.0 . . . no C9 H11 H1 116.8 . . . no C9 H11 H2 56.9 . . . no C9 H11 H2 159.9 . . . no C9 H11 H3 79.1 . . . no C9 H11 H3 140.6 . . . no C9 H11 H4 172.8 . . . no C9 H11 H5 133.3 . . . no C9 H11 H10 60.1 . . . no C10 H11 C11 12.6 . . . no C10 H11 C12 21.4 . . . no C10 H11 H1 96.6 . . . no C10 H11 H1 99.1 . . . no C10 H11 H2 70.8 . . . no C10 H11 H2 158.3 . . . no C10 H11 H3 88.0 . . . no C10 H11 H3 153.7 . . . no C10 H11 H4 154.8 . . . no C10 H11 H5 138.0 . . . no C10 H11 H10 39.0 . . . no C11 H11 C12 34.0 . . . no C11 H11 H1 100.0 . . . no C11 H11 H1 88.9 . . . no C11 H11 H2 80.4 . . . no C11 H11 H2 150.2 . . . no C11 H11 H3 94.3 . . . no C11 H11 H3 156.8 . . . no C11 H11 H4 142.7 . . . no C11 H11 H5 136.0 . . . no C11 H11 H10 26.4 . . . no C12 H11 H1 90.6 . . . no C12 H11 H1 115.8 . . . no C12 H11 H2 55.3 . . . no C12 H11 H2 158.1 . . . no C12 H11 H3 77.4 . . . no C12 H11 H3 139.3 . . . no C12 H11 H4 171.1 . . . no C12 H11 H5 134.9 . . . no C12 H11 H10 60.4 . . . no H1 H11 H1 139.3 4_565 4_565 4_565 no H1 H11 H2 115.5 4_565 4_565 4_565 no H1 H11 H2 104.6 4_565 4_565 4_565 no H1 H11 H3 133.6 4_565 4_565 4_565 no H1 H11 H3 102.4 4_565 4_565 4_565 no H1 H11 H4 98.3 4_565 4_565 4_565 no H1 H11 H5 44.4 4_565 4_565 4_565 no H1 H11 H10 105.9 4_565 4_565 4_565 no H1 H11 H2 105.1 3_675 3_675 3_675 no H1 H11 H2 61.5 3_675 3_675 3_675 no H1 H11 H3 84.3 3_675 3_675 3_675 no H1 H11 H3 78.1 3_675 3_675 3_675 no H1 H11 H4 56.9 3_675 3_675 3_675 no H1 H11 H5 104.3 3_675 3_675 3_675 no H1 H11 H10 67.3 3_675 3_675 3_675 no H2 H11 H2 103.3 . . . no H2 H11 H3 25.3 . . . no H2 H11 H3 84.6 . . . no H2 H11 H4 119.6 . . . no H2 H11 H5 132.9 . . . no H2 H11 H10 100.7 . . . no H2 H11 H3 80.8 3_675 3_675 3_675 no H2 H11 H3 22.5 3_675 3_675 3_675 no H2 H11 H4 16.6 3_675 3_675 3_675 no H2 H11 H5 61.4 3_675 3_675 3_675 no H2 H11 H10 127.4 3_675 3_675 3_675 no H3 H11 H3 65.7 . . . no H3 H11 H4 96.2 . . . no H3 H11 H5 128.3 . . . no H3 H11 H10 106.2 . . . no H3 H11 H4 38.2 3_675 3_675 3_675 no H3 H11 H5 66.6 3_675 3_675 3_675 no H3 H11 H10 145.2 3_675 3_675 3_675 no H4 H11 H5 53.9 3_675 3_675 3_675 no H4 H11 H10 116.7 3_675 3_675 3_675 no H5 H11 H10 124.5 4_565 4_565 4_565 no C9 H12 C10 29.2 . . . no C9 H12 C13 59.2 . . . no C9 H12 C14 90.4 . . . no C9 H12 C15 122.3 . . . no C9 H12 C16 112.0 . . . no C9 H12 C16 84.8 . . . no C9 H12 C17 92.4 . . . no C9 H12 C17 65.3 . . . no C9 H12 C18 72.4 . . . no C9 H12 C24 139.5 . . . no C9 H12 C32 80.7 . . . no C9 H12 C33 71.1 . . . no C9 H12 H9 21.6 . . . no C9 H12 H13 146.0 . . . no C9 H12 H14 96.8 . . . no C9 H12 H15 60.6 . . . no C9 H12 H21 118.8 . . . no C9 H12 H22 154.0 . . . no C9 H12 H23 141.0 . . . no C9 H12 H28 95.6 . . . no C9 H12 H29 72.7 . . . no C9 H12 H29 73.7 . . . no C9 H12 H32 97.6 . . . no C10 H12 C13 32.0 . . . no C10 H12 C14 65.0 . . . no C10 H12 C15 98.3 . . . no C10 H12 C16 87.3 . . . no C10 H12 C16 112.6 . . . no C10 H12 C17 66.4 . . . no C10 H12 C17 93.8 . . . no C10 H12 C18 45.5 . . . no C10 H12 C24 149.0 . . . no C10 H12 C32 94.3 . . . no C10 H12 C33 77.0 . . . no C10 H12 H9 49.0 . . . no C10 H12 H13 124.5 . . . no C10 H12 H14 125.7 . . . no C10 H12 H15 89.8 . . . no C10 H12 H21 133.4 . . . no C10 H12 H22 167.8 . . . no C10 H12 H23 136.0 . . . no C10 H12 H28 108.5 . . . no C10 H12 H29 82.8 . . . no C10 H12 H29 71.1 . . . no C10 H12 H32 70.3 . . . no C13 H12 C14 33.0 . . . no C13 H12 C15 66.3 . . . no C13 H12 C16 55.3 . . . no C13 H12 C16 144.0 . . . no C13 H12 C17 34.4 . . . no C13 H12 C17 124.4 . . . no C13 H12 C18 13.4 . . . no C13 H12 C24 147.6 . . . no C13 H12 C32 93.2 . . . no C13 H12 C33 72.1 . . . no C13 H12 H9 74.8 . . . no C13 H12 H13 92.6 . . . no C13 H12 H14 154.4 . . . no C13 H12 H15 116.7 . . . no C13 H12 H21 150.2 . . . no C13 H12 H22 146.4 . . . no C13 H12 H23 128.7 . . . no C13 H12 H28 102.7 . . . no C13 H12 H29 107.8 . . . no C13 H12 H29 58.9 . . . no C13 H12 H32 53.0 . . . no C14 H12 C15 33.4 . . . no C14 H12 C16 22.3 . . . no C14 H12 C16 168.4 . . . no C14 H12 C17 2.8 . . . no C14 H12 C17 151.6 . . . no C14 H12 C18 19.8 . . . no C14 H12 C24 126.0 . . . no C14 H12 C32 88.1 . . . no C14 H12 C33 69.9 . . . no C14 H12 H9 101.4 . . . no C14 H12 H13 59.6 . . . no C14 H12 H14 158.0 . . . no C14 H12 H15 137.9 . . . no C14 H12 H21 143.4 . . . no C14 H12 H22 115.6 . . . no C14 H12 H23 111.5 . . . no C14 H12 H28 90.0 . . . no C14 H12 H29 133.0 . . . no C14 H12 H29 53.7 . . . no C14 H12 H32 49.9 . . . no C15 H12 C16 11.1 . . . no C15 H12 C16 146.6 . . . no C15 H12 C17 32.0 . . . no C15 H12 C17 156.5 . . . no C15 H12 C18 53.0 . . . no C15 H12 C24 97.3 . . . no C15 H12 C32 84.8 . . . no C15 H12 C33 75.7 . . . no C15 H12 H9 127.5 . . . no C15 H12 H13 26.3 . . . no C15 H12 H14 130.9 . . . no C15 H12 H15 143.8 . . . no C15 H12 H21 117.7 . . . no C15 H12 H22 83.2 . . . no C15 H12 H23 88.3 . . . no C15 H12 H28 78.3 . . . no C15 H12 H29 145.7 . . . no C15 H12 H29 62.8 . . . no C15 H12 H32 60.6 . . . no C16 H12 C16 157.0 . . . no C16 H12 C17 21.0 . . . no C16 H12 C17 160.8 . . . no C16 H12 C18 42.0 . . . no C16 H12 C24 106.6 . . . no C16 H12 C32 86.6 . . . no C16 H12 C33 73.9 . . . no C16 H12 H9 119.8 . . . no C16 H12 H13 37.3 . . . no C16 H12 H14 141.2 . . . no C16 H12 H15 145.4 . . . no C16 H12 H21 126.4 . . . no C16 H12 H22 93.7 . . . no C16 H12 H23 95.6 . . . no C16 H12 H28 82.7 . . . no C16 H12 H29 143.1 . . . no C16 H12 H29 59.3 . . . no C16 H12 H32 55.0 . . . no C16 H12 C17 170.9 4_465 4_465 4_465 no C16 H12 C17 20.0 4_465 4_465 4_465 no C16 H12 C18 157.1 4_465 4_465 4_465 no C16 H12 C24 62.4 4_465 4_465 4_465 no C16 H12 C32 80.6 4_465 4_465 4_465 no C16 H12 C33 98.5 4_465 4_465 4_465 no C16 H12 H9 70.8 4_465 4_465 4_465 no C16 H12 H13 121.3 4_465 4_465 4_465 no C16 H12 H14 15.8 4_465 4_465 4_465 no C16 H12 H15 31.6 4_465 4_465 4_465 no C16 H12 H21 46.9 4_465 4_465 4_465 no C16 H12 H22 69.4 4_465 4_465 4_465 no C16 H12 H23 78.4 4_465 4_465 4_465 no C16 H12 H28 80.0 4_465 4_465 4_465 no C16 H12 H29 55.3 4_465 4_465 4_465 no C16 H12 H29 114.7 4_465 4_465 4_465 no C16 H12 H32 141.2 4_465 4_465 4_465 no C17 H12 C17 154.3 . . . no C17 H12 C18 21.0 . . . no C17 H12 C24 123.5 . . . no C17 H12 C32 90.4 . . . no C17 H12 C33 72.4 . . . no C17 H12 H9 103.9 . . . no C17 H12 H13 58.3 . . . no C17 H12 H14 159.0 . . . no C17 H12 H15 140.7 . . . no C17 H12 H21 140.7 . . . no C17 H12 H22 113.6 . . . no C17 H12 H23 108.8 . . . no C17 H12 H28 91.7 . . . no C17 H12 H29 132.0 . . . no C17 H12 H29 56.2 . . . no C17 H12 H32 47.7 . . . no C17 H12 C18 137.1 4_465 4_465 4_465 no C17 H12 C24 82.0 4_465 4_465 4_465 no C17 H12 C32 74.2 4_465 4_465 4_465 no C17 H12 C33 87.7 4_465 4_465 4_465 no C17 H12 H9 50.9 4_465 4_465 4_465 no C17 H12 H13 136.6 4_465 4_465 4_465 no C17 H12 H14 32.0 4_465 4_465 4_465 no C17 H12 H15 15.7 4_465 4_465 4_465 no C17 H12 H21 64.9 4_465 4_465 4_465 no C17 H12 H22 89.2 4_465 4_465 4_465 no C17 H12 H23 96.8 4_465 4_465 4_465 no C17 H12 H28 78.7 4_465 4_465 4_465 no C17 H12 H29 55.8 4_465 4_465 4_465 no C17 H12 H29 103.0 4_465 4_465 4_465 no C17 H12 H32 142.9 4_465 4_465 4_465 no C18 H12 C24 138.9 . . . no C18 H12 C32 93.2 . . . no C18 H12 C33 72.4 . . . no C18 H12 H9 86.7 . . . no C18 H12 H13 79.3 . . . no C18 H12 H14 163.6 . . . no C18 H12 H15 127.7 . . . no C18 H12 H21 149.2 . . . no C18 H12 H22 133.5 . . . no C18 H12 H23 121.1 . . . no C18 H12 H28 99.6 . . . no C18 H12 H29 117.3 . . . no C18 H12 H29 57.2 . . . no C18 H12 H32 47.9 . . . no C24 H12 C32 113.7 3_676 3_676 3_676 no C24 H12 C33 133.1 3_676 3_676 3_676 no C24 H12 H9 132.6 3_676 3_676 3_676 no C24 H12 H13 74.5 3_676 3_676 3_676 no C24 H12 H14 56.8 3_676 3_676 3_676 no C24 H12 H15 93.3 3_676 3_676 3_676 no C24 H12 H21 20.7 3_676 3_676 3_676 no C24 H12 H22 20.4 3_676 3_676 3_676 no C24 H12 H23 19.0 3_676 3_676 3_676 no C24 H12 H28 100.8 3_676 3_676 3_676 no C24 H12 H29 69.3 3_676 3_676 3_676 no C24 H12 H29 139.9 3_676 3_676 3_676 no C24 H12 H32 94.7 3_676 3_676 3_676 no C32 H12 C33 21.2 1_545 1_545 1_545 no C32 H12 H9 63.0 1_545 1_545 1_545 no C32 H12 H13 82.6 1_545 1_545 1_545 no C32 H12 H14 72.6 1_545 1_545 1_545 no C32 H12 H15 59.3 1_545 1_545 1_545 no C32 H12 H21 116.3 1_545 1_545 1_545 no C32 H12 H22 97.9 1_545 1_545 1_545 no C32 H12 H23 129.7 1_545 1_545 1_545 no C32 H12 H28 15.1 1_545 1_545 1_545 no C32 H12 H29 129.5 1_545 1_545 1_545 no C32 H12 H29 36.0 1_545 1_545 1_545 no C32 H12 H32 138.1 1_545 1_545 1_545 no C33 H12 H9 59.2 1_545 1_545 1_545 no C33 H12 H13 82.8 1_545 1_545 1_545 no C33 H12 H14 92.7 1_545 1_545 1_545 no C33 H12 H15 71.9 1_545 1_545 1_545 no C33 H12 H21 137.4 1_545 1_545 1_545 no C33 H12 H22 115.0 1_545 1_545 1_545 no C33 H12 H23 145.8 1_545 1_545 1_545 no C33 H12 H28 32.4 1_545 1_545 1_545 no C33 H12 H29 136.8 1_545 1_545 1_545 no C33 H12 H29 16.2 1_545 1_545 1_545 no C33 H12 H32 119.0 1_545 1_545 1_545 no H9 H12 H13 142.0 . . . no H9 H12 H14 79.7 . . . no H9 H12 H15 42.0 . . . no H9 H12 H21 113.7 . . . no H9 H12 H22 138.1 . . . no H9 H12 H23 144.2 . . . no H9 H12 H28 77.2 . . . no H9 H12 H29 78.7 . . . no H9 H12 H29 67.3 . . . no H9 H12 H32 118.8 . . . no H13 H12 H14 106.1 . . . no H13 H12 H15 131.4 . . . no H13 H12 H21 95.1 . . . no H13 H12 H22 57.9 . . . no H13 H12 H23 70.6 . . . no H13 H12 H28 70.7 . . . no H13 H12 H29 139.0 . . . no H13 H12 H29 75.4 . . . no H13 H12 H32 76.0 . . . no H14 H12 H15 37.7 4_465 4_465 4_465 no H14 H12 H21 46.8 4_465 4_465 4_465 no H14 H12 H22 58.6 4_465 4_465 4_465 no H14 H12 H23 75.1 4_465 4_465 4_465 no H14 H12 H28 68.7 4_465 4_465 4_465 no H14 H12 H29 69.0 4_465 4_465 4_465 no H14 H12 H29 108.5 4_465 4_465 4_465 no H14 H12 H32 148.0 4_465 4_465 4_465 no H15 H12 H21 78.4 4_465 4_465 4_465 no H15 H12 H22 96.1 4_465 4_465 4_465 no H15 H12 H23 109.9 4_465 4_465 4_465 no H15 H12 H28 65.7 4_465 4_465 4_465 no H15 H12 H29 70.2 4_465 4_465 4_465 no H15 H12 H29 87.3 4_465 4_465 4_465 no H15 H12 H32 152.7 4_465 4_465 4_465 no H21 H12 H22 38.8 3_676 3_676 3_676 no H21 H12 H23 31.9 3_676 3_676 3_676 no H21 H12 H28 107.0 3_676 3_676 3_676 no H21 H12 H29 50.7 3_676 3_676 3_676 no H21 H12 H29 150.8 3_676 3_676 3_676 no H21 H12 H32 101.4 3_676 3_676 3_676 no H22 H12 H23 31.8 3_676 3_676 3_676 no H22 H12 H28 83.6 3_676 3_676 3_676 no H22 H12 H29 89.1 3_676 3_676 3_676 no H22 H12 H29 119.7 3_676 3_676 3_676 no H22 H12 H32 100.4 3_676 3_676 3_676 no H23 H12 H28 115.4 3_676 3_676 3_676 no H23 H12 H29 68.8 3_676 3_676 3_676 no H23 H12 H29 145.3 3_676 3_676 3_676 no H23 H12 H32 75.8 3_676 3_676 3_676 no H28 H12 H29 134.1 1_545 1_545 1_545 no H28 H12 H29 43.8 1_545 1_545 1_545 no H28 H12 H32 137.6 1_545 1_545 1_545 no H29 H12 H29 145.6 4_475 4_475 4_475 no H29 H12 H32 88.3 4_475 4_475 4_475 no H29 H12 H32 102.9 1_545 1_545 1_545 no N4 H13 C13 133.7 2_646 2_646 2_646 no N4 H13 C14 131.1 2_646 2_646 2_646 no N4 H13 C15 131.5 2_646 2_646 2_646 no N4 H13 C16 114.8 2_646 2_646 2_646 no N4 H13 C17 124.0 2_646 2_646 2_646 no N4 H13 C18 132.3 2_646 2_646 2_646 no N4 H13 C19 21.1 2_646 2_646 2_646 no N4 H13 C21 39.0 2_646 2_646 2_646 no N4 H13 C22 23.5 2_646 2_646 2_646 no N4 H13 C23 103.8 2_646 2_646 2_646 no N4 H13 C24 40.5 2_646 2_646 2_646 no N4 H13 C24 102.4 2_646 2_646 2_646 no N4 H13 H12 120.6 2_646 2_646 2_646 no N4 H13 H14 97.3 2_646 2_646 2_646 no N4 H13 H18 89.4 2_646 2_646 2_646 no N4 H13 H19 102.3 2_646 2_646 2_646 no N4 H13 H20 122.1 2_646 2_646 2_646 no N4 H13 H21 52.3 2_646 2_646 2_646 no N4 H13 H21 108.5 2_646 2_646 2_646 no N4 H13 H22 90.6 2_646 2_646 2_646 no N4 H13 H23 115.4 2_646 2_646 2_646 no N4 H13 H28 63.6 2_646 2_646 2_646 no N4 H13 H29 83.3 2_646 2_646 2_646 no C13 H13 C14 15.0 . . . no C13 H13 C15 20.0 . . . no C13 H13 C16 56.0 . . . no C13 H13 C17 41.6 . . . no C13 H13 C18 21.2 . . . no C13 H13 C19 151.0 . . . no C13 H13 C21 139.2 . . . no C13 H13 C22 129.7 . . . no C13 H13 C23 118.1 . . . no C13 H13 C24 105.9 . . . no C13 H13 C24 96.8 . . . no C13 H13 H12 40.8 . . . no C13 H13 H14 82.5 . . . no C13 H13 H18 135.8 . . . no C13 H13 H19 110.2 . . . no C13 H13 H20 102.7 . . . no C13 H13 H21 90.8 . . . no C13 H13 H21 82.2 . . . no C13 H13 H22 103.3 . . . no C13 H13 H23 94.9 . . . no C13 H13 H28 75.2 . . . no C13 H13 H29 51.0 . . . no C14 H13 C15 35.0 . . . no C14 H13 C16 71.0 . . . no C14 H13 C17 56.6 . . . no C14 H13 C18 36.2 . . . no C14 H13 C19 142.7 . . . no C14 H13 C21 150.3 . . . no C14 H13 C22 135.3 . . . no C14 H13 C23 124.8 . . . no C14 H13 C24 113.3 . . . no C14 H13 C24 83.4 . . . no C14 H13 H12 25.7 . . . no C14 H13 H14 97.5 . . . no C14 H13 H18 138.7 . . . no C14 H13 H19 121.6 . . . no C14 H13 H20 106.7 . . . no C14 H13 H21 98.3 . . . no C14 H13 H21 68.3 . . . no C14 H13 H22 88.9 . . . no C14 H13 H23 84.4 . . . no C14 H13 H28 68.1 . . . no C14 H13 H29 54.5 . . . no C15 H13 C16 36.0 . . . no C15 H13 C17 21.6 . . . no C15 H13 C18 1.7 . . . no C15 H13 C19 152.5 . . . no C15 H13 C21 122.0 . . . no C15 H13 C22 118.4 . . . no C15 H13 C23 106.8 . . . no C15 H13 C24 94.8 . . . no C15 H13 C24 114.4 . . . no C15 H13 H12 60.7 . . . no C15 H13 H14 62.6 . . . no C15 H13 H18 126.7 . . . no C15 H13 H19 94.4 . . . no C15 H13 H20 96.1 . . . no C15 H13 H21 80.7 . . . no C15 H13 H21 100.9 . . . no C15 H13 H22 122.3 . . . no C15 H13 H23 108.6 . . . no C15 H13 H28 85.7 . . . no C15 H13 H29 51.2 . . . no C16 H13 C17 14.5 . . . no C16 H13 C18 34.9 . . . no C16 H13 C19 130.5 . . . no C16 H13 C21 89.0 . . . no C16 H13 C22 93.3 . . . no C16 H13 C23 83.5 . . . no C16 H13 C24 74.7 . . . no C16 H13 C24 142.8 . . . no C16 H13 H12 96.8 . . . no C16 H13 H14 26.5 . . . no C16 H13 H18 102.2 . . . no C16 H13 H19 65.5 . . . no C16 H13 H20 82.9 . . . no C16 H13 H21 65.8 . . . no C16 H13 H21 133.5 . . . no C16 H13 H22 154.1 . . . no C16 H13 H23 128.5 . . . no C16 H13 H28 105.2 . . . no C16 H13 H29 64.2 . . . no C17 H13 C18 20.4 . . . no C17 H13 C19 142.3 . . . no C17 H13 C21 102.8 . . . no C17 H13 C22 104.6 . . . no C17 H13 C23 92.0 . . . no C17 H13 C24 83.6 . . . no C17 H13 C24 131.5 . . . no C17 H13 H12 82.3 . . . no C17 H13 H14 41.0 . . . no C17 H13 H18 111.8 . . . no C17 H13 H19 76.2 . . . no C17 H13 H20 87.0 . . . no C17 H13 H21 72.1 . . . no C17 H13 H21 120.2 . . . no C17 H13 H22 141.5 . . . no C17 H13 H23 120.6 . . . no C17 H13 H28 98.6 . . . no C17 H13 H29 58.6 . . . no C18 H13 C19 153.3 . . . no C18 H13 C21 121.4 . . . no C18 H13 C22 118.5 . . . no C18 H13 C23 105.1 . . . no C18 H13 C24 95.1 . . . no C18 H13 C24 114.8 . . . no C18 H13 H12 61.9 . . . no C18 H13 H14 61.4 . . . no C18 H13 H18 125.0 . . . no C18 H13 H19 92.7 . . . no C18 H13 H20 94.6 . . . no C18 H13 H21 81.2 . . . no C18 H13 H21 101.5 . . . no C18 H13 H22 123.0 . . . no C18 H13 H23 108.5 . . . no C18 H13 H28 87.3 . . . no C18 H13 H29 52.5 . . . no C19 H13 C21 43.2 2_646 2_646 2_646 no C19 H13 C22 37.7 2_646 2_646 2_646 no C19 H13 C23 90.7 2_646 2_646 2_646 no C19 H13 C24 59.5 2_646 2_646 2_646 no C19 H13 C24 86.0 2_646 2_646 2_646 no C19 H13 H12 123.0 2_646 2_646 2_646 no C19 H13 H14 107.6 2_646 2_646 2_646 no C19 H13 H18 73.1 2_646 2_646 2_646 no C19 H13 H19 95.7 2_646 2_646 2_646 no C19 H13 H20 106.2 2_646 2_646 2_646 no C19 H13 H21 72.6 2_646 2_646 2_646 no C19 H13 H21 95.8 2_646 2_646 2_646 no C19 H13 H22 75.4 2_646 2_646 2_646 no C19 H13 H23 96.3 2_646 2_646 2_646 no C19 H13 H28 76.1 2_646 2_646 2_646 no C19 H13 H29 103.1 2_646 2_646 2_646 no C21 H13 C22 20.9 2_646 2_646 2_646 no C21 H13 C23 72.0 2_646 2_646 2_646 no C21 H13 C24 38.2 2_646 2_646 2_646 no C21 H13 C24 123.6 2_646 2_646 2_646 no C21 H13 H12 157.8 2_646 2_646 2_646 no C21 H13 H14 64.5 2_646 2_646 2_646 no C21 H13 H18 65.6 2_646 2_646 2_646 no C21 H13 H19 64.7 2_646 2_646 2_646 no C21 H13 H20 91.8 2_646 2_646 2_646 no C21 H13 H21 52.6 2_646 2_646 2_646 no C21 H13 H21 136.9 2_646 2_646 2_646 no C21 H13 H22 115.4 2_646 2_646 2_646 no C21 H13 H23 125.1 2_646 2_646 2_646 no C21 H13 H28 97.8 2_646 2_646 2_646 no C21 H13 H29 97.4 2_646 2_646 2_646 no C22 H13 C23 92.9 2_646 2_646 2_646 no C22 H13 C24 24.0 2_646 2_646 2_646 no C22 H13 C24 123.7 2_646 2_646 2_646 no C22 H13 H12 136.9 2_646 2_646 2_646 no C22 H13 H14 73.9 2_646 2_646 2_646 no C22 H13 H18 84.7 2_646 2_646 2_646 no C22 H13 H19 85.0 2_646 2_646 2_646 no C22 H13 H20 112.6 2_646 2_646 2_646 no C22 H13 H21 38.9 2_646 2_646 2_646 no C22 H13 H21 131.7 2_646 2_646 2_646 no C22 H13 H22 112.6 2_646 2_646 2_646 no C22 H13 H23 133.0 2_646 2_646 2_646 no C22 H13 H28 76.9 2_646 2_646 2_646 no C22 H13 H29 80.8 2_646 2_646 2_646 no C23 H13 C24 105.4 4_575 4_575 4_575 no C23 H13 C24 89.8 4_575 4_575 4_575 no C23 H13 H12 129.8 4_575 4_575 4_575 no C23 H13 H14 67.4 4_575 4_575 4_575 no C23 H13 H18 20.0 4_575 4_575 4_575 no C23 H13 H19 20.2 4_575 4_575 4_575 no C23 H13 H20 19.7 4_575 4_575 4_575 no C23 H13 H21 114.7 4_575 4_575 4_575 no C23 H13 H21 102.0 4_575 4_575 4_575 no C23 H13 H22 95.5 4_575 4_575 4_575 no C23 H13 H23 74.4 4_575 4_575 4_575 no C23 H13 H28 166.8 4_575 4_575 4_575 no C23 H13 H29 146.5 4_575 4_575 4_575 no C24 H13 C24 141.8 2_646 2_646 2_646 no C24 H13 H12 123.2 2_646 2_646 2_646 no C24 H13 H14 62.2 2_646 2_646 2_646 no C24 H13 H18 103.3 2_646 2_646 2_646 no C24 H13 H19 91.1 2_646 2_646 2_646 no C24 H13 H20 123.6 2_646 2_646 2_646 no C24 H13 H21 15.1 2_646 2_646 2_646 no C24 H13 H21 142.8 2_646 2_646 2_646 no C24 H13 H22 129.8 2_646 2_646 2_646 no C24 H13 H23 155.8 2_646 2_646 2_646 no C24 H13 H28 68.4 2_646 2_646 2_646 no C24 H13 H29 59.3 2_646 2_646 2_646 no C24 H13 H12 60.5 3_676 3_676 3_676 no C24 H13 H14 153.0 3_676 3_676 3_676 no C24 H13 H18 79.3 3_676 3_676 3_676 no C24 H13 H19 109.6 3_676 3_676 3_676 no C24 H13 H20 79.0 3_676 3_676 3_676 no C24 H13 H21 147.0 3_676 3_676 3_676 no C24 H13 H21 15.8 3_676 3_676 3_676 no C24 H13 H22 12.1 3_676 3_676 3_676 no C24 H13 H23 18.4 3_676 3_676 3_676 no C24 H13 H28 89.0 3_676 3_676 3_676 no C24 H13 H29 121.1 3_676 3_676 3_676 no H12 H13 H14 123.3 . . . no H12 H13 H18 132.9 . . . no H12 H13 H19 136.9 . . . no H12 H13 H20 110.2 . . . no H12 H13 H21 110.7 . . . no H12 H13 H21 44.7 . . . no H12 H13 H22 64.1 . . . no H12 H13 H23 66.5 . . . no H12 H13 H28 60.0 . . . no H12 H13 H29 66.5 . . . no H14 H13 H18 82.5 . . . no H14 H13 H19 47.3 . . . no H14 H13 H20 74.9 . . . no H14 H13 H21 59.8 . . . no H14 H13 H21 154.0 . . . no H14 H13 H22 162.4 . . . no H14 H13 H23 134.5 . . . no H14 H13 H28 116.6 . . . no H14 H13 H29 79.3 . . . no H18 H13 H19 36.7 4_575 4_575 4_575 no H18 H13 H20 33.1 4_575 4_575 4_575 no H18 H13 H21 116.3 4_575 4_575 4_575 no H18 H13 H21 94.0 4_575 4_575 4_575 no H18 H13 H22 81.8 4_575 4_575 4_575 no H18 H13 H23 67.9 4_575 4_575 4_575 no H18 H13 H28 147.6 4_575 4_575 4_575 no H18 H13 H29 159.4 4_575 4_575 4_575 no H19 H13 H20 33.0 4_575 4_575 4_575 no H19 H13 H21 97.6 4_575 4_575 4_575 no H19 H13 H21 120.7 4_575 4_575 4_575 no H19 H13 H22 115.7 4_575 4_575 4_575 no H19 H13 H23 93.3 4_575 4_575 4_575 no H19 H13 H28 159.3 4_575 4_575 4_575 no H19 H13 H29 126.6 4_575 4_575 4_575 no H20 H13 H21 130.5 4_575 4_575 4_575 no H20 H13 H21 88.1 4_575 4_575 4_575 no H20 H13 H22 87.6 4_575 4_575 4_575 no H20 H13 H23 61.4 4_575 4_575 4_575 no H20 H13 H28 167.5 4_575 4_575 4_575 no H20 H13 H29 145.6 4_575 4_575 4_575 no H21 H13 H21 141.2 2_646 2_646 2_646 no H21 H13 H22 135.6 2_646 2_646 2_646 no H21 H13 H23 165.1 2_646 2_646 2_646 no H21 H13 H28 62.0 2_646 2_646 2_646 no H21 H13 H29 45.0 2_646 2_646 2_646 no H21 H13 H22 21.5 3_676 3_676 3_676 no H21 H13 H23 27.6 3_676 3_676 3_676 no H21 H13 H28 79.4 3_676 3_676 3_676 no H21 H13 H29 106.6 3_676 3_676 3_676 no H22 H13 H23 29.6 3_676 3_676 3_676 no H22 H13 H28 81.0 3_676 3_676 3_676 no H22 H13 H29 117.4 3_676 3_676 3_676 no H23 H13 H28 106.3 3_676 3_676 3_676 no H23 H13 H29 132.5 3_676 3_676 3_676 no H28 H13 H29 41.0 1_545 1_545 1_545 no C13 H14 C14 21.4 . . . no C13 H14 C15 32.7 . . . no C13 H14 C16 0.9 . . . no C13 H14 C17 32.4 . . . no C13 H14 C18 21.0 . . . no C13 H14 C21 130.8 . . . no C13 H14 C22 109.2 . . . no C13 H14 C23 104.3 . . . no C13 H14 C24 102.3 . . . no C13 H14 C25 132.6 . . . no C13 H14 C26 154.9 . . . no C13 H14 C27 146.8 . . . no C13 H14 C28 122.2 . . . no C13 H14 C29 109.4 . . . no C13 H14 C30 113.8 . . . no C13 H14 H12 89.8 . . . no C13 H14 H13 59.4 . . . no C13 H14 H15 58.5 . . . no C13 H14 H17 145.8 . . . no C13 H14 H18 101.9 . . . no C13 H14 H19 112.2 . . . no C13 H14 H20 88.4 . . . no C13 H14 H21 85.1 . . . no C13 H14 H22 115.6 . . . no C13 H14 H24 165.3 . . . no C13 H14 H25 150.0 . . . no C13 H14 H28 118.0 . . . no C14 H14 C15 11.3 . . . no C14 H14 C16 20.7 . . . no C14 H14 C17 53.8 . . . no C14 H14 C18 42.4 . . . no C14 H14 C21 112.1 . . . no C14 H14 C22 93.0 . . . no C14 H14 C23 90.5 . . . no C14 H14 C24 93.6 . . . no C14 H14 C25 132.6 . . . no C14 H14 C26 155.7 . . . no C14 H14 C27 166.1 . . . no C14 H14 C28 142.0 . . . no C14 H14 C29 124.6 . . . no C14 H14 C30 121.3 . . . no C14 H14 H12 98.9 . . . no C14 H14 H13 38.0 . . . no C14 H14 H15 79.9 . . . no C14 H14 H17 129.1 . . . no C14 H14 H18 83.8 . . . no C14 H14 H19 99.8 . . . no C14 H14 H20 77.8 . . . no C14 H14 H21 78.7 . . . no C14 H14 H22 110.7 . . . no C14 H14 H24 152.7 . . . no C14 H14 H25 169.6 . . . no C14 H14 H28 135.7 . . . no C15 H14 C16 31.9 . . . no C15 H14 C17 65.0 . . . no C15 H14 C18 53.6 . . . no C15 H14 C21 101.9 . . . no C15 H14 C22 84.3 . . . no C15 H14 C23 83.1 . . . no C15 H14 C24 88.8 . . . no C15 H14 C25 129.7 . . . no C15 H14 C26 149.7 . . . no C15 H14 C27 171.2 . . . no C15 H14 C28 151.6 . . . no C15 H14 C29 131.5 . . . no C15 H14 C30 123.6 . . . no C15 H14 H12 103.4 . . . no C15 H14 H13 26.8 . . . no C15 H14 H15 91.2 . . . no C15 H14 H17 119.3 . . . no C15 H14 H18 74.4 . . . no C15 H14 H19 92.9 . . . no C15 H14 H20 72.6 . . . no C15 H14 H21 75.9 . . . no C15 H14 H22 107.0 . . . no C15 H14 H24 142.8 . . . no C15 H14 H25 172.3 . . . no C15 H14 H28 143.8 . . . no C16 H14 C17 33.1 . . . no C16 H14 C18 21.7 . . . no C16 H14 C21 130.4 . . . no C16 H14 C22 109.0 . . . no C16 H14 C23 103.5 . . . no C16 H14 C24 102.4 . . . no C16 H14 C25 132.3 . . . no C16 H14 C26 154.8 . . . no C16 H14 C27 147.4 . . . no C16 H14 C28 122.8 . . . no C16 H14 C29 109.7 . . . no C16 H14 C30 113.7 . . . no C16 H14 H12 90.5 . . . no C16 H14 H13 58.7 . . . no C16 H14 H15 59.2 . . . no C16 H14 H17 145.6 . . . no C16 H14 H18 101.0 . . . no C16 H14 H19 111.4 . . . no C16 H14 H20 87.6 . . . no C16 H14 H21 85.3 . . . no C16 H14 H22 116.0 . . . no C16 H14 H24 164.7 . . . no C16 H14 H25 150.9 . . . no C16 H14 H28 118.9 . . . no C17 H14 C18 11.4 . . . no C17 H14 C21 155.1 . . . no C17 H14 C22 132.4 . . . no C17 H14 C23 120.4 . . . no C17 H14 C24 114.3 . . . no C17 H14 C25 118.6 . . . no C17 H14 C26 130.6 . . . no C17 H14 C27 114.8 . . . no C17 H14 C28 90.8 . . . no C17 H14 C29 83.1 . . . no C17 H14 C30 95.7 . . . no C17 H14 H12 78.2 . . . no C17 H14 H13 91.7 . . . no C17 H14 H15 26.1 . . . no C17 H14 H17 156.5 . . . no C17 H14 H18 126.5 . . . no C17 H14 H19 123.9 . . . no C17 H14 H20 102.6 . . . no C17 H14 H21 97.6 . . . no C17 H14 H22 118.0 . . . no C17 H14 H24 145.6 . . . no C17 H14 H25 118.5 . . . no C17 H14 H28 90.2 . . . no C18 H14 C21 147.9 . . . no C18 H14 C22 124.8 . . . no C18 H14 C23 115.5 . . . no C18 H14 C24 110.6 . . . no C18 H14 C25 124.8 . . . no C18 H14 C26 140.3 . . . no C18 H14 C27 126.1 . . . no C18 H14 C28 101.9 . . . no C18 H14 C29 92.5 . . . no C18 H14 C30 102.5 . . . no C18 H14 H12 82.0 . . . no C18 H14 H13 80.4 . . . no C18 H14 H15 37.5 . . . no C18 H14 H17 156.6 . . . no C18 H14 H18 118.3 . . . no C18 H14 H19 120.9 . . . no C18 H14 H20 97.9 . . . no C18 H14 H21 93.2 . . . no C18 H14 H22 118.2 . . . no C18 H14 H24 155.4 . . . no C18 H14 H25 129.7 . . . no C18 H14 H28 100.1 . . . no C21 H14 C22 23.1 2_646 2_646 2_646 no C21 H14 C23 76.1 2_646 2_646 2_646 no C21 H14 C24 41.8 2_646 2_646 2_646 no C21 H14 C25 86.2 2_646 2_646 2_646 no C21 H14 C26 71.6 2_646 2_646 2_646 no C21 H14 C27 81.4 2_646 2_646 2_646 no C21 H14 C28 106.0 2_646 2_646 2_646 no C21 H14 C29 119.3 2_646 2_646 2_646 no C21 H14 C30 109.0 2_646 2_646 2_646 no C21 H14 H12 85.0 2_646 2_646 2_646 no C21 H14 H13 77.5 2_646 2_646 2_646 no C21 H14 H15 154.1 2_646 2_646 2_646 no C21 H14 H17 17.7 2_646 2_646 2_646 no C21 H14 H18 63.9 2_646 2_646 2_646 no C21 H14 H19 75.8 2_646 2_646 2_646 no C21 H14 H20 92.6 2_646 2_646 2_646 no C21 H14 H21 57.8 2_646 2_646 2_646 no C21 H14 H22 42.9 2_646 2_646 2_646 no C21 H14 H24 56.7 2_646 2_646 2_646 no C21 H14 H25 72.2 2_646 2_646 2_646 no C21 H14 H28 89.9 2_646 2_646 2_646 no C22 H14 C23 88.6 2_646 2_646 2_646 no C22 H14 C24 25.3 2_646 2_646 2_646 no C22 H14 C25 109.0 2_646 2_646 2_646 no C22 H14 C26 94.3 2_646 2_646 2_646 no C22 H14 C27 100.9 2_646 2_646 2_646 no C22 H14 C28 124.1 2_646 2_646 2_646 no C22 H14 C29 141.3 2_646 2_646 2_646 no C22 H14 C30 131.9 2_646 2_646 2_646 no C22 H14 H12 74.5 2_646 2_646 2_646 no C22 H14 H13 64.4 2_646 2_646 2_646 no C22 H14 H15 142.2 2_646 2_646 2_646 no C22 H14 H17 36.7 2_646 2_646 2_646 no C22 H14 H18 72.4 2_646 2_646 2_646 no C22 H14 H19 91.4 2_646 2_646 2_646 no C22 H14 H20 101.5 2_646 2_646 2_646 no C22 H14 H21 37.4 2_646 2_646 2_646 no C22 H14 H22 36.5 2_646 2_646 2_646 no C22 H14 H24 79.6 2_646 2_646 2_646 no C22 H14 H25 88.7 2_646 2_646 2_646 no C22 H14 H28 95.5 2_646 2_646 2_646 no C23 H14 C24 113.8 4_575 4_575 4_575 no C23 H14 C25 50.4 4_575 4_575 4_575 no C23 H14 C26 66.6 4_575 4_575 4_575 no C23 H14 C27 89.8 4_575 4_575 4_575 no C23 H14 C28 98.1 4_575 4_575 4_575 no C23 H14 C29 83.1 4_575 4_575 4_575 no C23 H14 C30 61.2 4_575 4_575 4_575 no C23 H14 H12 161.0 4_575 4_575 4_575 no C23 H14 H13 66.6 4_575 4_575 4_575 no C23 H14 H15 128.2 4_575 4_575 4_575 no C23 H14 H17 82.9 4_575 4_575 4_575 no C23 H14 H18 17.9 4_575 4_575 4_575 no C23 H14 H19 9.9 4_575 4_575 4_575 no C23 H14 H20 17.8 4_575 4_575 4_575 no C23 H14 H21 122.8 4_575 4_575 4_575 no C23 H14 H22 119.0 4_575 4_575 4_575 no C23 H14 H24 63.4 4_575 4_575 4_575 no C23 H14 H25 99.9 4_575 4_575 4_575 no C23 H14 H28 133.1 4_575 4_575 4_575 no C24 H14 C25 123.9 2_646 2_646 2_646 no C24 H14 C26 102.8 2_646 2_646 2_646 no C24 H14 C27 99.0 2_646 2_646 2_646 no C24 H14 C28 115.9 2_646 2_646 2_646 no C24 H14 C29 139.0 2_646 2_646 2_646 no C24 H14 C30 143.8 2_646 2_646 2_646 no C24 H14 H12 49.4 2_646 2_646 2_646 no C24 H14 H13 77.8 2_646 2_646 2_646 no C24 H14 H15 117.5 2_646 2_646 2_646 no C24 H14 H17 46.3 2_646 2_646 2_646 no C24 H14 H18 97.5 2_646 2_646 2_646 no C24 H14 H19 116.1 2_646 2_646 2_646 no C24 H14 H20 126.4 2_646 2_646 2_646 no C24 H14 H21 17.6 2_646 2_646 2_646 no C24 H14 H22 18.6 2_646 2_646 2_646 no C24 H14 H24 90.5 2_646 2_646 2_646 no C24 H14 H25 83.6 2_646 2_646 2_646 no C24 H14 H28 77.5 2_646 2_646 2_646 no C25 H14 C26 24.1 4_575 4_575 4_575 no C25 H14 C27 41.9 4_575 4_575 4_575 no C25 H14 C28 48.3 4_575 4_575 4_575 no C25 H14 C29 40.1 4_575 4_575 4_575 no C25 H14 C30 22.9 4_575 4_575 4_575 no C25 H14 H12 126.9 4_575 4_575 4_575 no C25 H14 H13 116.9 4_575 4_575 4_575 no C25 H14 H15 102.6 4_575 4_575 4_575 no C25 H14 H17 77.8 4_575 4_575 4_575 no C25 H14 H18 65.1 4_575 4_575 4_575 no C25 H14 H19 40.6 4_575 4_575 4_575 no C25 H14 H20 57.3 4_575 4_575 4_575 no C25 H14 H21 141.5 4_575 4_575 4_575 no C25 H14 H22 111.7 4_575 4_575 4_575 no C25 H14 H24 33.5 4_575 4_575 4_575 no C25 H14 H25 55.9 4_575 4_575 4_575 no C25 H14 H28 84.7 4_575 4_575 4_575 no C26 H14 C27 23.8 4_575 4_575 4_575 no C26 H14 C28 42.3 4_575 4_575 4_575 no C26 H14 C29 47.9 4_575 4_575 4_575 no C26 H14 C30 41.1 4_575 4_575 4_575 no C26 H14 H12 105.3 4_575 4_575 4_575 no C26 H14 H13 128.5 4_575 4_575 4_575 no C26 H14 H15 107.4 4_575 4_575 4_575 no C26 H14 H17 58.7 4_575 4_575 4_575 no C26 H14 H18 76.4 4_575 4_575 4_575 no C26 H14 H19 56.9 4_575 4_575 4_575 no C26 H14 H20 78.1 4_575 4_575 4_575 no C26 H14 H21 119.7 4_575 4_575 4_575 no C26 H14 H22 88.4 4_575 4_575 4_575 no C26 H14 H24 15.1 4_575 4_575 4_575 no C26 H14 H25 33.9 4_575 4_575 4_575 no C26 H14 H28 66.4 4_575 4_575 4_575 no C27 H14 C28 24.7 4_575 4_575 4_575 no C27 H14 C29 41.7 4_575 4_575 4_575 no C27 H14 C30 47.8 4_575 4_575 4_575 no C27 H14 H12 85.0 4_575 4_575 4_575 no C27 H14 H13 151.4 4_575 4_575 4_575 no C27 H14 H15 89.0 4_575 4_575 4_575 no C27 H14 H17 64.7 4_575 4_575 4_575 no C27 H14 H18 100.2 4_575 4_575 4_575 no C27 H14 H19 80.0 4_575 4_575 4_575 no C27 H14 H20 99.2 4_575 4_575 4_575 no C27 H14 H21 112.5 4_575 4_575 4_575 no C27 H14 H22 81.1 4_575 4_575 4_575 no C27 H14 H24 33.8 4_575 4_575 4_575 no C27 H14 H25 16.0 4_575 4_575 4_575 no C27 H14 H28 43.4 4_575 4_575 4_575 no C28 H14 C29 23.4 4_575 4_575 4_575 no C28 H14 C30 40.3 4_575 4_575 4_575 no C28 H14 H12 84.7 4_575 4_575 4_575 no C28 H14 H13 163.4 4_575 4_575 4_575 no C28 H14 H15 65.7 4_575 4_575 4_575 no C28 H14 H17 88.9 4_575 4_575 4_575 no C28 H14 H18 113.3 4_575 4_575 4_575 no C28 H14 H19 88.6 4_575 4_575 4_575 no C28 H14 H20 100.4 4_575 4_575 4_575 no C28 H14 H21 124.3 4_575 4_575 4_575 no C28 H14 H22 97.3 4_575 4_575 4_575 no C28 H14 H24 55.9 4_575 4_575 4_575 no C28 H14 H25 35.4 4_575 4_575 4_575 no C28 H14 H28 42.7 4_575 4_575 4_575 no C29 H14 C30 22.0 4_575 4_575 4_575 no C29 H14 H12 104.6 4_575 4_575 4_575 no C29 H14 H13 141.2 4_575 4_575 4_575 no C29 H14 H15 63.0 4_575 4_575 4_575 no C29 H14 H17 104.7 4_575 4_575 4_575 no C29 H14 H18 100.6 4_575 4_575 4_575 no C29 H14 H19 75.1 4_575 4_575 4_575 no C29 H14 H20 80.6 4_575 4_575 4_575 no C29 H14 H21 147.2 4_575 4_575 4_575 no C29 H14 H22 120.4 4_575 4_575 4_575 no C29 H14 H24 62.9 4_575 4_575 4_575 no C29 H14 H25 56.1 4_575 4_575 4_575 no C29 H14 H28 65.1 4_575 4_575 4_575 no C30 H14 H12 124.9 4_575 4_575 4_575 no C30 H14 H13 123.0 4_575 4_575 4_575 no C30 H14 H15 81.0 4_575 4_575 4_575 no C30 H14 H17 99.1 4_575 4_575 4_575 no C30 H14 H18 78.6 4_575 4_575 4_575 no C30 H14 H19 53.1 4_575 4_575 4_575 no C30 H14 H20 60.2 4_575 4_575 4_575 no C30 H14 H21 159.9 4_575 4_575 4_575 no C30 H14 H22 127.9 4_575 4_575 4_575 no C30 H14 H24 54.2 4_575 4_575 4_575 no C30 H14 H25 63.7 4_575 4_575 4_575 no C30 H14 H28 82.8 4_575 4_575 4_575 no H12 H14 H13 111.9 4_565 4_565 4_565 no H12 H14 H15 70.2 4_565 4_565 4_565 no H12 H14 H17 78.3 4_565 4_565 4_565 no H12 H14 H18 146.9 4_565 4_565 4_565 no H12 H14 H19 157.1 4_565 4_565 4_565 no H12 H14 H20 174.8 4_565 4_565 4_565 no H12 H14 H21 44.6 4_565 4_565 4_565 no H12 H14 H22 42.1 4_565 4_565 4_565 no H12 H14 H24 104.2 4_565 4_565 4_565 no H12 H14 H25 71.6 4_565 4_565 4_565 no H12 H14 H28 43.1 4_565 4_565 4_565 no H13 H14 H15 117.9 . . . no H13 H14 H17 95.3 . . . no H13 H14 H18 53.0 . . . no H13 H14 H19 76.3 . . . no H13 H14 H20 63.0 . . . no H13 H14 H21 71.6 . . . no H13 H14 H22 96.0 . . . no H13 H14 H24 117.7 . . . no H13 H14 H25 149.1 . . . no H13 H14 H28 153.7 . . . no H15 H14 H17 140.6 . . . no H15 H14 H18 142.0 . . . no H15 H14 H19 126.3 . . . no H15 H14 H20 112.8 . . . no H15 H14 H21 105.2 . . . no H15 H14 H22 112.0 . . . no H15 H14 H24 121.5 . . . no H15 H14 H25 92.5 . . . no H15 H14 H28 67.1 . . . no H17 H14 H18 74.7 2_646 2_646 2_646 no H17 H14 H19 79.6 2_646 2_646 2_646 no H17 H14 H20 100.6 2_646 2_646 2_646 no H17 H14 H21 63.8 2_646 2_646 2_646 no H17 H14 H22 39.0 2_646 2_646 2_646 no H17 H14 H24 44.9 2_646 2_646 2_646 no H17 H14 H25 54.5 2_646 2_646 2_646 no H17 H14 H28 73.7 2_646 2_646 2_646 no H18 H14 H19 25.6 4_575 4_575 4_575 no H18 H14 H20 29.5 4_575 4_575 4_575 no H18 H14 H21 105.0 4_575 4_575 4_575 no H18 H14 H22 105.9 4_575 4_575 4_575 no H18 H14 H24 68.9 4_575 4_575 4_575 no H18 H14 H25 106.4 4_575 4_575 4_575 no H18 H14 H28 140.0 4_575 4_575 4_575 no H19 H14 H20 23.9 4_575 4_575 4_575 no H19 H14 H21 127.7 4_575 4_575 4_575 no H19 H14 H22 117.7 4_575 4_575 4_575 no H19 H14 H24 54.7 4_575 4_575 4_575 no H19 H14 H25 90.4 4_575 4_575 4_575 no H19 H14 H28 123.3 4_575 4_575 4_575 no H20 H14 H21 130.4 4_575 4_575 4_575 no H20 H14 H22 135.2 4_575 4_575 4_575 no H20 H14 H24 78.1 4_575 4_575 4_575 no H20 H14 H25 112.0 4_575 4_575 4_575 no H20 H14 H28 141.6 4_575 4_575 4_575 no H21 H14 H22 32.0 2_646 2_646 2_646 no H21 H14 H24 108.0 2_646 2_646 2_646 no H21 H14 H25 96.6 2_646 2_646 2_646 no H21 H14 H28 82.1 2_646 2_646 2_646 no H22 H14 H24 78.6 2_646 2_646 2_646 no H22 H14 H25 65.4 2_646 2_646 2_646 no H22 H14 H28 60.3 2_646 2_646 2_646 no H24 H14 H25 37.6 4_575 4_575 4_575 no H24 H14 H28 71.5 4_575 4_575 4_575 no H25 H14 H28 33.9 4_575 4_575 4_575 no C6 H15 C8 63.1 2_655 2_655 2_655 no C6 H15 C9 73.7 2_655 2_655 2_655 no C6 H15 C13 111.2 2_655 2_655 2_655 no C6 H15 C14 132.3 2_655 2_655 2_655 no C6 H15 C15 152.2 2_655 2_655 2_655 no C6 H15 C16 165.9 2_655 2_655 2_655 no C6 H15 C17 132.0 2_655 2_655 2_655 no C6 H15 C18 96.8 2_655 2_655 2_655 no C6 H15 C28 93.8 2_655 2_655 2_655 no C6 H15 C29 90.4 2_655 2_655 2_655 no C6 H15 C31 74.7 2_655 2_655 2_655 no C6 H15 C32 80.4 2_655 2_655 2_655 no C6 H15 C35 69.8 2_655 2_655 2_655 no C6 H15 C36 90.5 2_655 2_655 2_655 no C6 H15 H5 13.9 2_655 2_655 2_655 no C6 H15 H6 18.1 2_655 2_655 2_655 no C6 H15 H7 10.3 2_655 2_655 2_655 no C6 H15 H8 55.9 2_655 2_655 2_655 no C6 H15 H9 78.4 2_655 2_655 2_655 no C6 H15 H12 111.3 2_655 2_655 2_655 no C6 H15 H14 164.3 2_655 2_655 2_655 no C6 H15 H16 70.8 2_655 2_655 2_655 no C6 H15 H26 72.2 2_655 2_655 2_655 no C6 H15 H28 96.9 2_655 2_655 2_655 no C6 H15 H31 59.8 2_655 2_655 2_655 no C6 H15 H32 101.3 2_655 2_655 2_655 no C8 H15 C9 22.5 4_565 4_565 4_565 no C8 H15 C13 78.2 4_565 4_565 4_565 no C8 H15 C14 93.7 4_565 4_565 4_565 no C8 H15 C15 107.8 4_565 4_565 4_565 no C8 H15 C16 116.6 4_565 4_565 4_565 no C8 H15 C17 94.0 4_565 4_565 4_565 no C8 H15 C18 69.1 4_565 4_565 4_565 no C8 H15 C28 130.8 4_565 4_565 4_565 no C8 H15 C29 146.7 4_565 4_565 4_565 no C8 H15 C31 105.8 4_565 4_565 4_565 no C8 H15 C32 90.0 4_565 4_565 4_565 no C8 H15 C35 114.3 4_565 4_565 4_565 no C8 H15 C36 125.5 4_565 4_565 4_565 no C8 H15 H5 57.8 4_565 4_565 4_565 no C8 H15 H6 81.1 4_565 4_565 4_565 no C8 H15 H7 53.1 4_565 4_565 4_565 no C8 H15 H8 15.5 4_565 4_565 4_565 no C8 H15 H9 35.8 4_565 4_565 4_565 no C8 H15 H12 65.7 4_565 4_565 4_565 no C8 H15 H14 129.4 4_565 4_565 4_565 no C8 H15 H16 55.5 4_565 4_565 4_565 no C8 H15 H26 133.4 4_565 4_565 4_565 no C8 H15 H28 92.7 4_565 4_565 4_565 no C8 H15 H31 97.6 4_565 4_565 4_565 no C8 H15 H32 120.5 4_565 4_565 4_565 no C9 H15 C13 91.6 4_565 4_565 4_565 no C9 H15 C14 101.0 4_565 4_565 4_565 no C9 H15 C15 108.3 4_565 4_565 4_565 no C9 H15 C16 111.5 4_565 4_565 4_565 no C9 H15 C17 101.5 4_565 4_565 4_565 no C9 H15 C18 86.1 4_565 4_565 4_565 no C9 H15 C28 113.1 4_565 4_565 4_565 no C9 H15 C29 135.3 4_565 4_565 4_565 no C9 H15 C31 91.0 4_565 4_565 4_565 no C9 H15 C32 71.5 4_565 4_565 4_565 no C9 H15 C35 135.5 4_565 4_565 4_565 no C9 H15 C36 148.0 4_565 4_565 4_565 no C9 H15 H5 63.8 4_565 4_565 4_565 no C9 H15 H6 89.8 4_565 4_565 4_565 no C9 H15 H7 65.2 4_565 4_565 4_565 no C9 H15 H8 37.9 4_565 4_565 4_565 no C9 H15 H9 13.4 4_565 4_565 4_565 no C9 H15 H12 44.7 4_565 4_565 4_565 no C9 H15 H14 114.7 4_565 4_565 4_565 no C9 H15 H16 77.2 4_565 4_565 4_565 no C9 H15 H26 131.7 4_565 4_565 4_565 no C9 H15 H28 71.3 4_565 4_565 4_565 no C9 H15 H31 119.2 4_565 4_565 4_565 no C9 H15 H32 141.0 4_565 4_565 4_565 no C13 H15 C14 21.5 . . . no C13 H15 C15 42.0 . . . no C13 H15 C16 56.6 . . . no C13 H15 C17 21.4 . . . no C13 H15 C18 14.5 . . . no C13 H15 C28 149.3 . . . no C13 H15 C29 132.9 . . . no C13 H15 C31 174.1 . . . no C13 H15 C32 156.4 . . . no C13 H15 C35 79.0 . . . no C13 H15 C36 68.0 . . . no C13 H15 H5 119.2 . . . no C13 H15 H6 119.9 . . . no C13 H15 H7 104.6 . . . no C13 H15 H8 71.5 . . . no C13 H15 H9 101.7 . . . no C13 H15 H12 99.4 . . . no C13 H15 H14 82.6 . . . no C13 H15 H16 40.5 . . . no C13 H15 H26 132.4 . . . no C13 H15 H28 141.7 . . . no C13 H15 H31 73.1 . . . no C13 H15 H32 53.4 . . . no C14 H15 C15 20.5 . . . no C14 H15 C16 35.1 . . . no C14 H15 C17 0.6 . . . no C14 H15 C18 36.0 . . . no C14 H15 C28 129.3 . . . no C14 H15 C29 119.5 . . . no C14 H15 C31 152.6 . . . no C14 H15 C32 144.2 . . . no C14 H15 C35 85.8 . . . no C14 H15 C36 69.1 . . . no C14 H15 H5 140.7 . . . no C14 H15 H6 138.2 . . . no C14 H15 H7 126.1 . . . no C14 H15 H8 90.3 . . . no C14 H15 H9 107.4 . . . no C14 H15 H12 92.5 . . . no C14 H15 H14 61.1 . . . no C14 H15 H16 61.9 . . . no C14 H15 H26 127.2 . . . no C14 H15 H28 127.0 . . . no C14 H15 H31 85.5 . . . no C14 H15 H32 53.3 . . . no C15 H15 C16 14.6 . . . no C15 H15 C17 20.7 . . . no C15 H15 C18 56.5 . . . no C15 H15 C28 109.7 . . . no C15 H15 C29 104.7 . . . no C15 H15 C31 132.1 . . . no C15 H15 C32 127.0 . . . no C15 H15 C35 93.4 . . . no C15 H15 C36 73.4 . . . no C15 H15 H5 161.1 . . . no C15 H15 H6 152.8 . . . no C15 H15 H7 146.6 . . . no C15 H15 H8 107.9 . . . no C15 H15 H9 110.0 . . . no C15 H15 H12 85.1 . . . no C15 H15 H14 40.6 . . . no C15 H15 H16 82.4 . . . no C15 H15 H26 117.9 . . . no C15 H15 H28 110.1 . . . no C15 H15 H31 98.2 . . . no C15 H15 H32 59.1 . . . no C16 H15 C17 35.2 . . . no C16 H15 C18 71.0 . . . no C16 H15 C28 95.9 . . . no C16 H15 C29 94.1 . . . no C16 H15 C31 117.5 . . . no C16 H15 C32 113.6 . . . no C16 H15 C35 99.2 . . . no C16 H15 C36 78.4 . . . no C16 H15 H5 174.3 . . . no C16 H15 H6 158.0 . . . no C16 H15 H7 161.2 . . . no C16 H15 H8 119.7 . . . no C16 H15 H9 109.7 . . . no C16 H15 H12 79.5 . . . no C16 H15 H14 26.1 . . . no C16 H15 H16 97.0 . . . no C16 H15 H26 110.0 . . . no C16 H15 H28 97.3 . . . no C16 H15 H31 107.3 . . . no C16 H15 H32 66.2 . . . no C17 H15 C18 35.8 . . . no C17 H15 C28 129.3 . . . no C17 H15 C29 119.2 . . . no C17 H15 C31 152.7 . . . no C17 H15 C32 144.7 . . . no C17 H15 C35 85.2 . . . no C17 H15 C36 68.5 . . . no C17 H15 H5 140.6 . . . no C17 H15 H6 137.8 . . . no C17 H15 H7 126.0 . . . no C17 H15 H8 90.5 . . . no C17 H15 H9 107.9 . . . no C17 H15 H12 93.1 . . . no C17 H15 H14 61.3 . . . no C17 H15 H16 61.8 . . . no C17 H15 H26 126.8 . . . no C17 H15 H28 127.4 . . . no C17 H15 H31 85.0 . . . no C17 H15 H32 52.7 . . . no C18 H15 C28 160.1 . . . no C18 H15 C29 137.9 . . . no C18 H15 C31 171.4 . . . no C18 H15 C32 157.4 . . . no C18 H15 C35 74.0 . . . no C18 H15 C36 68.0 . . . no C18 H15 H5 104.9 . . . no C18 H15 H6 106.5 . . . no C18 H15 H7 90.2 . . . no C18 H15 H8 60.0 . . . no C18 H15 H9 98.0 . . . no C18 H15 H12 104.6 . . . no C18 H15 H14 97.1 . . . no C18 H15 H16 26.0 . . . no C18 H15 H26 130.8 . . . no C18 H15 H28 148.9 . . . no C18 H15 H31 64.7 . . . no C18 H15 H32 55.6 . . . no C28 H15 C29 24.9 4_575 4_575 4_575 no C28 H15 C31 25.7 4_575 4_575 4_575 no C28 H15 C32 41.7 4_575 4_575 4_575 no C28 H15 C35 94.1 4_575 4_575 4_575 no C28 H15 C36 95.2 4_575 4_575 4_575 no C28 H15 H5 89.1 4_575 4_575 4_575 no C28 H15 H6 79.9 4_575 4_575 4_575 no C28 H15 H7 102.4 4_575 4_575 4_575 no C28 H15 H8 139.1 4_575 4_575 4_575 no C28 H15 H9 100.6 4_575 4_575 4_575 no C28 H15 H12 87.1 4_575 4_575 4_575 no C28 H15 H14 70.8 4_575 4_575 4_575 no C28 H15 H16 159.0 4_575 4_575 4_575 no C28 H15 H26 38.6 4_575 4_575 4_575 no C28 H15 H28 44.7 4_575 4_575 4_575 no C28 H15 H31 107.2 4_575 4_575 4_575 no C28 H15 H32 105.7 4_575 4_575 4_575 no C29 H15 C31 44.3 4_575 4_575 4_575 no C29 H15 C32 64.7 4_575 4_575 4_575 no C29 H15 C35 69.8 4_575 4_575 4_575 no C29 H15 C36 70.6 4_575 4_575 4_575 no C29 H15 H5 91.5 4_575 4_575 4_575 no C29 H15 H6 72.9 4_575 4_575 4_575 no C29 H15 H7 100.6 4_575 4_575 4_575 no C29 H15 H8 146.0 4_575 4_575 4_575 no C29 H15 H9 124.0 4_575 4_575 4_575 no C29 H15 H12 111.2 4_575 4_575 4_575 no C29 H15 H14 74.3 4_575 4_575 4_575 no C29 H15 H16 137.1 4_575 4_575 4_575 no C29 H15 H26 19.8 4_575 4_575 4_575 no C29 H15 H28 69.6 4_575 4_575 4_575 no C29 H15 H31 84.2 4_575 4_575 4_575 no C29 H15 H32 82.3 4_575 4_575 4_575 no C31 H15 C32 22.5 4_575 4_575 4_575 no C31 H15 C35 102.8 4_575 4_575 4_575 no C31 H15 C36 111.8 4_575 4_575 4_575 no C31 H15 H5 66.7 4_575 4_575 4_575 no C31 H15 H6 65.4 4_575 4_575 4_575 no C31 H15 H7 81.3 4_575 4_575 4_575 no C31 H15 H8 113.5 4_575 4_575 4_575 no C31 H15 H9 80.1 4_575 4_575 4_575 no C31 H15 H12 78.7 4_575 4_575 4_575 no C31 H15 H14 91.4 4_575 4_575 4_575 no C31 H15 H16 145.4 4_575 4_575 4_575 no C31 H15 H26 47.5 4_575 4_575 4_575 no C31 H15 H28 35.2 4_575 4_575 4_575 no C31 H15 H31 110.1 4_575 4_575 4_575 no C31 H15 H32 125.7 4_575 4_575 4_575 no C32 H15 C35 124.6 4_575 4_575 4_575 no C32 H15 C36 134.2 4_575 4_575 4_575 no C32 H15 H5 68.6 4_575 4_575 4_575 no C32 H15 H6 77.5 4_575 4_575 4_575 no C32 H15 H7 83.6 4_575 4_575 4_575 no C32 H15 H8 101.4 4_575 4_575 4_575 no C32 H15 H9 59.3 4_575 4_575 4_575 no C32 H15 H12 56.9 4_575 4_575 4_575 no C32 H15 H14 89.5 4_575 4_575 4_575 no C32 H15 H16 142.3 4_575 4_575 4_575 no C32 H15 H26 70.0 4_575 4_575 4_575 no C32 H15 H28 17.2 4_575 4_575 4_575 no C32 H15 H31 129.3 4_575 4_575 4_575 no C32 H15 H32 147.0 4_575 4_575 4_575 no C35 H15 C36 20.8 . . . no C35 H15 H5 83.1 . . . no C35 H15 H6 60.0 . . . no C35 H15 H7 75.3 . . . no C35 H15 H8 98.9 . . . no C35 H15 H9 145.8 . . . no C35 H15 H12 178.3 . . . no C35 H15 H14 107.1 . . . no C35 H15 H16 67.5 . . . no C35 H15 H26 57.0 . . . no C35 H15 H28 137.0 . . . no C35 H15 H31 16.7 . . . no C35 H15 H32 34.3 . . . no C36 H15 H5 103.9 . . . no C36 H15 H6 80.5 . . . no C36 H15 H7 95.4 . . . no C36 H15 H8 110.3 . . . no C36 H15 H9 161.3 . . . no C36 H15 H12 157.9 . . . no C36 H15 H14 87.9 . . . no C36 H15 H16 71.4 . . . no C36 H15 H26 64.5 . . . no C36 H15 H28 139.5 . . . no C36 H15 H31 33.0 . . . no C36 H15 H32 15.8 . . . no H5 H15 H6 26.1 2_655 2_655 2_655 no H5 H15 H7 15.1 2_655 2_655 2_655 no H5 H15 H8 54.7 2_655 2_655 2_655 no H5 H15 H9 66.6 2_655 2_655 2_655 no H5 H15 H12 98.1 2_655 2_655 2_655 no H5 H15 H14 157.7 2_655 2_655 2_655 no H5 H15 H16 79.0 2_655 2_655 2_655 no H5 H15 H26 75.6 2_655 2_655 2_655 no H5 H15 H28 84.3 2_655 2_655 2_655 no H5 H15 H31 73.6 2_655 2_655 2_655 no H5 H15 H32 115.1 2_655 2_655 2_655 no H6 H15 H7 28.3 2_655 2_655 2_655 no H6 H15 H8 73.8 2_655 2_655 2_655 no H6 H15 H9 92.3 2_655 2_655 2_655 no H6 H15 H12 121.5 2_655 2_655 2_655 no H6 H15 H14 147.2 2_655 2_655 2_655 no H6 H15 H16 82.0 2_655 2_655 2_655 no H6 H15 H26 54.2 2_655 2_655 2_655 no H6 H15 H28 94.7 2_655 2_655 2_655 no H6 H15 H31 54.7 2_655 2_655 2_655 no H6 H15 H32 94.0 2_655 2_655 2_655 no H7 H15 H8 45.7 2_655 2_655 2_655 no H7 H15 H9 71.5 2_655 2_655 2_655 no H7 H15 H12 105.7 2_655 2_655 2_655 no H7 H15 H14 172.7 2_655 2_655 2_655 no H7 H15 H16 64.2 2_655 2_655 2_655 no H7 H15 H26 82.4 2_655 2_655 2_655 no H7 H15 H28 98.8 2_655 2_655 2_655 no H7 H15 H31 63.0 2_655 2_655 2_655 no H7 H15 H32 104.0 2_655 2_655 2_655 no H8 H15 H9 51.0 4_565 4_565 4_565 no H8 H15 H12 81.0 4_565 4_565 4_565 no H8 H15 H14 138.8 4_565 4_565 4_565 no H8 H15 H16 42.0 4_565 4_565 4_565 no H8 H15 H26 128.0 4_565 4_565 4_565 no H8 H15 H28 106.7 4_565 4_565 4_565 no H8 H15 H31 82.3 4_565 4_565 4_565 no H8 H15 H32 106.7 4_565 4_565 4_565 no H9 H15 H12 34.8 4_565 4_565 4_565 no H9 H15 H14 106.8 4_565 4_565 4_565 no H9 H15 H16 90.6 4_565 4_565 4_565 no H9 H15 H26 124.6 4_565 4_565 4_565 no H9 H15 H28 57.9 4_565 4_565 4_565 no H9 H15 H31 130.4 4_565 4_565 4_565 no H9 H15 H32 153.6 4_565 4_565 4_565 no H12 H15 H14 72.1 4_565 4_565 4_565 no H12 H15 H16 111.6 4_565 4_565 4_565 no H12 H15 H26 124.3 4_565 4_565 4_565 no H12 H15 H28 44.4 4_565 4_565 4_565 no H12 H15 H31 163.1 4_565 4_565 4_565 no H12 H15 H32 144.1 4_565 4_565 4_565 no H14 H15 H16 123.1 . . . no H14 H15 H26 93.1 . . . no H14 H15 H28 74.6 . . . no H14 H15 H31 120.7 . . . no H14 H15 H32 80.7 . . . no H16 H15 H26 120.8 . . . no H16 H15 H28 148.3 . . . no H16 H15 H31 52.9 . . . no H16 H15 H32 65.1 . . . no H26 H15 H28 80.0 4_575 4_575 4_575 no H26 H15 H31 68.7 4_575 4_575 4_575 no H26 H15 H32 79.1 4_575 4_575 4_575 no H28 H15 H31 145.2 4_575 4_575 4_575 no H28 H15 H32 146.5 4_575 4_575 4_575 no H31 H15 H32 41.5 . . . no O1 H16 N2 37.1 2_655 2_655 2_655 no O1 H16 C1 19.3 2_655 2_655 2_655 no O1 H16 C4 55.7 2_655 2_655 2_655 no O1 H16 C6 80.4 2_655 2_655 2_655 no O1 H16 C8 95.2 2_655 2_655 2_655 no O1 H16 C9 115.0 2_655 2_655 2_655 no O1 H16 C10 87.7 2_655 2_655 2_655 no O1 H16 C11 57.6 2_655 2_655 2_655 no O1 H16 C12 50.5 2_655 2_655 2_655 no O1 H16 C13 118.9 2_655 2_655 2_655 no O1 H16 C14 130.8 2_655 2_655 2_655 no O1 H16 C15 149.9 2_655 2_655 2_655 no O1 H16 C16 164.6 2_655 2_655 2_655 no O1 H16 C17 164.9 2_655 2_655 2_655 no O1 H16 C18 150.9 2_655 2_655 2_655 no O1 H16 C35 88.0 2_655 2_655 2_655 no O1 H16 C36 98.9 2_655 2_655 2_655 no O1 H16 H2 86.9 2_655 2_655 2_655 no O1 H16 H6 85.9 2_655 2_655 2_655 no O1 H16 H7 91.5 2_655 2_655 2_655 no O1 H16 H8 87.6 2_655 2_655 2_655 no O1 H16 H9 127.9 2_655 2_655 2_655 no O1 H16 H10 38.7 2_655 2_655 2_655 no O1 H16 H15 145.9 2_655 2_655 2_655 no O1 H16 H31 79.9 2_655 2_655 2_655 no O1 H16 H32 105.0 2_655 2_655 2_655 no N2 H16 C1 17.9 2_655 2_655 2_655 no N2 H16 C4 18.6 2_655 2_655 2_655 no N2 H16 C6 43.4 2_655 2_655 2_655 no N2 H16 C8 82.3 2_655 2_655 2_655 no N2 H16 C9 95.4 2_655 2_655 2_655 no N2 H16 C10 124.8 2_655 2_655 2_655 no N2 H16 C11 94.7 2_655 2_655 2_655 no N2 H16 C12 87.6 2_655 2_655 2_655 no N2 H16 C13 154.3 2_655 2_655 2_655 no N2 H16 C14 162.2 2_655 2_655 2_655 no N2 H16 C15 160.5 2_655 2_655 2_655 no N2 H16 C16 144.7 2_655 2_655 2_655 no N2 H16 C17 134.1 2_655 2_655 2_655 no N2 H16 C18 162.4 2_655 2_655 2_655 no N2 H16 C35 75.0 2_655 2_655 2_655 no N2 H16 C36 94.3 2_655 2_655 2_655 no N2 H16 H2 105.3 2_655 2_655 2_655 no N2 H16 H6 49.6 2_655 2_655 2_655 no N2 H16 H7 54.7 2_655 2_655 2_655 no N2 H16 H8 72.1 2_655 2_655 2_655 no N2 H16 H9 101.0 2_655 2_655 2_655 no N2 H16 H10 74.4 2_655 2_655 2_655 no N2 H16 H15 109.4 2_655 2_655 2_655 no N2 H16 H31 64.9 2_655 2_655 2_655 no N2 H16 H32 107.7 2_655 2_655 2_655 no C1 H16 C4 36.5 2_655 2_655 2_655 no C1 H16 C6 61.2 2_655 2_655 2_655 no C1 H16 C8 89.3 2_655 2_655 2_655 no C1 H16 C9 106.2 2_655 2_655 2_655 no C1 H16 C10 107.0 2_655 2_655 2_655 no C1 H16 C11 76.8 2_655 2_655 2_655 no C1 H16 C12 69.8 2_655 2_655 2_655 no C1 H16 C13 137.3 2_655 2_655 2_655 no C1 H16 C14 148.1 2_655 2_655 2_655 no C1 H16 C15 161.8 2_655 2_655 2_655 no C1 H16 C16 158.6 2_655 2_655 2_655 no C1 H16 C17 150.1 2_655 2_655 2_655 no C1 H16 C18 164.0 2_655 2_655 2_655 no C1 H16 C35 79.9 2_655 2_655 2_655 no C1 H16 C36 95.9 2_655 2_655 2_655 no C1 H16 H2 97.5 2_655 2_655 2_655 no C1 H16 H6 66.8 2_655 2_655 2_655 no C1 H16 H7 72.5 2_655 2_655 2_655 no C1 H16 H8 80.0 2_655 2_655 2_655 no C1 H16 H9 115.2 2_655 2_655 2_655 no C1 H16 H10 56.9 2_655 2_655 2_655 no C1 H16 H15 126.8 2_655 2_655 2_655 no C1 H16 H31 70.4 2_655 2_655 2_655 no C1 H16 H32 106.4 2_655 2_655 2_655 no C4 H16 C6 24.7 2_655 2_655 2_655 no C4 H16 C8 75.5 2_655 2_655 2_655 no C4 H16 C9 83.6 2_655 2_655 2_655 no C4 H16 C10 143.4 2_655 2_655 2_655 no C4 H16 C11 113.3 2_655 2_655 2_655 no C4 H16 C12 106.1 2_655 2_655 2_655 no C4 H16 C13 169.2 2_655 2_655 2_655 no C4 H16 C14 164.4 2_655 2_655 2_655 no C4 H16 C15 147.0 2_655 2_655 2_655 no C4 H16 C16 127.8 2_655 2_655 2_655 no C4 H16 C17 116.5 2_655 2_655 2_655 no C4 H16 C18 148.0 2_655 2_655 2_655 no C4 H16 C35 71.6 2_655 2_655 2_655 no C4 H16 C36 92.3 2_655 2_655 2_655 no C4 H16 H2 111.8 2_655 2_655 2_655 no C4 H16 H6 32.4 2_655 2_655 2_655 no C4 H16 H7 36.2 2_655 2_655 2_655 no C4 H16 H8 65.4 2_655 2_655 2_655 no C4 H16 H9 85.6 2_655 2_655 2_655 no C4 H16 H10 92.8 2_655 2_655 2_655 no C4 H16 H15 91.1 2_655 2_655 2_655 no C4 H16 H31 61.9 2_655 2_655 2_655 no C4 H16 H32 107.4 2_655 2_655 2_655 no C6 H16 C8 68.7 2_655 2_655 2_655 no C6 H16 C9 68.7 2_655 2_655 2_655 no C6 H16 C10 168.1 2_655 2_655 2_655 no C6 H16 C11 138.0 2_655 2_655 2_655 no C6 H16 C12 130.6 2_655 2_655 2_655 no C6 H16 C13 158.6 2_655 2_655 2_655 no C6 H16 C14 145.4 2_655 2_655 2_655 no C6 H16 C15 124.7 2_655 2_655 2_655 no C6 H16 C16 104.4 2_655 2_655 2_655 no C6 H16 C17 92.9 2_655 2_655 2_655 no C6 H16 C18 125.1 2_655 2_655 2_655 no C6 H16 C35 70.1 2_655 2_655 2_655 no C6 H16 C36 89.4 2_655 2_655 2_655 no C6 H16 H2 116.9 2_655 2_655 2_655 no C6 H16 H6 14.8 2_655 2_655 2_655 no C6 H16 H7 12.2 2_655 2_655 2_655 no C6 H16 H8 60.4 2_655 2_655 2_655 no C6 H16 H9 65.5 2_655 2_655 2_655 no C6 H16 H10 117.2 2_655 2_655 2_655 no C6 H16 H15 67.0 2_655 2_655 2_655 no C6 H16 H31 63.0 2_655 2_655 2_655 no C6 H16 H32 104.2 2_655 2_655 2_655 no C8 H16 C9 20.7 4_565 4_565 4_565 no C8 H16 C10 111.9 4_565 4_565 4_565 no C8 H16 C11 112.4 4_565 4_565 4_565 no C8 H16 C12 106.1 4_565 4_565 4_565 no C8 H16 C13 115.1 4_565 4_565 4_565 no C8 H16 C14 114.8 4_565 4_565 4_565 no C8 H16 C15 108.9 4_565 4_565 4_565 no C8 H16 C16 100.2 4_565 4_565 4_565 no C8 H16 C17 94.9 4_565 4_565 4_565 no C8 H16 C18 106.7 4_565 4_565 4_565 no C8 H16 C35 137.5 4_565 4_565 4_565 no C8 H16 C36 151.6 4_565 4_565 4_565 no C8 H16 H2 51.3 4_565 4_565 4_565 no C8 H16 H6 81.7 4_565 4_565 4_565 no C8 H16 H7 62.0 4_565 4_565 4_565 no C8 H16 H8 10.2 4_565 4_565 4_565 no C8 H16 H9 36.9 4_565 4_565 4_565 no C8 H16 H10 118.4 4_565 4_565 4_565 no C8 H16 H15 82.5 4_565 4_565 4_565 no C8 H16 H31 131.6 4_565 4_565 4_565 no C8 H16 H32 157.3 4_565 4_565 4_565 no C9 H16 C10 116.4 4_565 4_565 4_565 no C9 H16 C11 127.3 4_565 4_565 4_565 no C9 H16 C12 122.8 4_565 4_565 4_565 no C9 H16 C13 107.1 4_565 4_565 4_565 no C9 H16 C14 102.4 4_565 4_565 4_565 no C9 H16 C15 91.6 4_565 4_565 4_565 no C9 H16 C16 80.3 4_565 4_565 4_565 no C9 H16 C17 74.3 4_565 4_565 4_565 no C9 H16 C18 89.7 4_565 4_565 4_565 no C9 H16 C35 127.6 4_565 4_565 4_565 no C9 H16 C36 134.5 4_565 4_565 4_565 no C9 H16 H2 62.0 4_565 4_565 4_565 no C9 H16 H6 78.1 4_565 4_565 4_565 no C9 H16 H7 58.5 4_565 4_565 4_565 no C9 H16 H8 27.3 4_565 4_565 4_565 no C9 H16 H9 16.7 4_565 4_565 4_565 no C9 H16 H10 138.0 4_565 4_565 4_565 no C9 H16 H15 62.9 4_565 4_565 4_565 no C9 H16 H31 125.9 4_565 4_565 4_565 no C9 H16 H32 136.8 4_565 4_565 4_565 no C10 H16 C11 30.1 . . . no C10 H16 C12 37.5 . . . no C10 H16 C13 32.8 . . . no C10 H16 C14 46.0 . . . no C10 H16 C15 66.9 . . . no C10 H16 C16 87.3 . . . no C10 H16 C17 98.9 . . . no C10 H16 C18 66.6 . . . no C10 H16 C35 110.6 . . . no C10 H16 C36 93.3 . . . no C10 H16 H2 61.0 . . . no C10 H16 H6 165.5 . . . no C10 H16 H7 173.8 . . . no C10 H16 H8 118.6 . . . no C10 H16 H9 122.6 . . . no C10 H16 H10 51.5 . . . no C10 H16 H15 124.9 . . . no C10 H16 H31 115.9 . . . no C10 H16 H32 79.7 . . . no C11 H16 C12 9.0 . . . no C11 H16 C13 61.9 . . . no C11 H16 C14 74.7 . . . no C11 H16 C15 95.6 . . . no C11 H16 C16 116.0 . . . no C11 H16 C17 127.6 . . . no C11 H16 C18 95.6 . . . no C11 H16 C35 104.9 . . . no C11 H16 C36 96.0 . . . no C11 H16 H2 65.4 . . . no C11 H16 H6 140.9 . . . no C11 H16 H7 148.8 . . . no C11 H16 H8 113.8 . . . no C11 H16 H9 141.0 . . . no C11 H16 H10 22.7 . . . no C11 H16 H15 153.5 . . . no C11 H16 H31 105.1 . . . no C11 H16 H32 87.5 . . . no C12 H16 C13 70.0 . . . no C12 H16 C14 83.0 . . . no C12 H16 C15 103.9 . . . no C12 H16 C16 124.4 . . . no C12 H16 C17 136.0 . . . no C12 H16 C18 103.8 . . . no C12 H16 C35 108.3 . . . no C12 H16 C36 101.9 . . . no C12 H16 H2 62.2 . . . no C12 H16 H6 135.8 . . . no C12 H16 H7 140.6 . . . no C12 H16 H8 106.4 . . . no C12 H16 H9 138.1 . . . no C12 H16 H10 20.4 . . . no C12 H16 H15 162.1 . . . no C12 H16 H31 106.9 . . . no C12 H16 H32 94.9 . . . no C13 H16 C14 13.2 . . . no C13 H16 C15 34.1 . . . no C13 H16 C16 54.5 . . . no C13 H16 C17 66.1 . . . no C13 H16 C18 33.9 . . . no C13 H16 C35 99.8 . . . no C13 H16 C36 79.0 . . . no C13 H16 H2 75.7 . . . no C13 H16 H6 146.5 . . . no C13 H16 H7 149.3 . . . no C13 H16 H8 125.1 . . . no C13 H16 H9 104.1 . . . no C13 H16 H10 80.5 . . . no C13 H16 H15 92.2 . . . no C13 H16 H31 108.9 . . . no C13 H16 H32 63.8 . . . no C14 H16 C15 21.0 . . . no C14 H16 C16 41.4 . . . no C14 H16 C17 53.0 . . . no C14 H16 C18 20.9 . . . no C14 H16 C35 93.7 . . . no C14 H16 C36 73.2 . . . no C14 H16 H2 83.5 . . . no C14 H16 H6 134.2 . . . no C14 H16 H7 136.4 . . . no C14 H16 H8 125.0 . . . no C14 H16 H9 96.1 . . . no C14 H16 H10 92.1 . . . no C14 H16 H15 79.2 . . . no C14 H16 H31 103.6 . . . no C14 H16 H32 58.5 . . . no C15 H16 C16 20.5 . . . no C15 H16 C17 32.1 . . . no C15 H16 C18 2.4 . . . no C15 H16 C35 86.3 . . . no C15 H16 C36 68.1 . . . no C15 H16 H2 94.1 . . . no C15 H16 H6 114.7 . . . no C15 H16 H7 115.5 . . . no C15 H16 H8 118.1 . . . no C15 H16 H9 81.2 . . . no C15 H16 H10 111.7 . . . no C15 H16 H15 58.2 . . . no C15 H16 H31 96.3 . . . no C15 H16 H32 56.3 . . . no C16 H16 C17 11.6 . . . no C16 H16 C18 20.7 . . . no C16 H16 C35 80.2 . . . no C16 H16 C36 66.8 . . . no C16 H16 H2 103.4 . . . no C16 H16 H6 95.5 . . . no C16 H16 H7 95.0 . . . no C16 H16 H8 107.5 . . . no C16 H16 H9 66.6 . . . no C16 H16 H10 130.6 . . . no C16 H16 H15 37.7 . . . no C16 H16 H31 89.2 . . . no C16 H16 H32 59.7 . . . no C17 H16 C18 32.3 . . . no C17 H16 C35 77.0 . . . no C17 H16 C36 67.3 . . . no C17 H16 H2 108.2 . . . no C17 H16 H6 84.5 . . . no C17 H16 H7 83.4 . . . no C17 H16 H8 100.9 . . . no C17 H16 H9 59.2 . . . no C17 H16 H10 140.8 . . . no C17 H16 H15 26.1 . . . no C17 H16 H31 85.0 . . . no C17 H16 H32 63.3 . . . no C18 H16 C35 88.6 . . . no C18 H16 C36 70.5 . . . no C18 H16 H2 91.9 . . . no C18 H16 H6 115.7 . . . no C18 H16 H7 115.6 . . . no C18 H16 H8 116.0 . . . no C18 H16 H9 79.6 . . . no C18 H16 H10 112.4 . . . no C18 H16 H15 58.3 . . . no C18 H16 H31 98.6 . . . no C18 H16 H32 58.7 . . . no C35 H16 C36 20.8 . . . no C35 H16 H2 170.4 . . . no C35 H16 H6 56.2 . . . no C35 H16 H7 75.5 . . . no C35 H16 H8 130.4 . . . no C35 H16 H9 113.6 . . . no C35 H16 H10 89.6 . . . no C35 H16 H15 72.1 . . . no C35 H16 H31 10.1 . . . no C35 H16 H32 36.0 . . . no C36 H16 H2 153.6 . . . no C36 H16 H6 74.9 . . . no C36 H16 H7 92.9 . . . no C36 H16 H8 147.8 . . . no C36 H16 H9 118.0 . . . no C36 H16 H10 87.3 . . . no C36 H16 H15 72.0 . . . no C36 H16 H31 30.4 . . . no C36 H16 H32 15.3 . . . no H2 H16 H6 131.4 4_565 4_565 4_565 no H2 H16 H7 112.7 4_565 4_565 4_565 no H2 H16 H8 57.6 4_565 4_565 4_565 no H2 H16 H9 76.0 4_565 4_565 4_565 no H2 H16 H10 81.3 4_565 4_565 4_565 no H2 H16 H15 116.2 4_565 4_565 4_565 no H2 H16 H31 166.6 4_565 4_565 4_565 no H2 H16 H32 138.6 4_565 4_565 4_565 no H6 H16 H7 20.0 2_655 2_655 2_655 no H6 H16 H8 74.2 2_655 2_655 2_655 no H6 H16 H9 71.3 2_655 2_655 2_655 no H6 H16 H10 118.3 2_655 2_655 2_655 no H6 H16 H15 60.1 2_655 2_655 2_655 no H6 H16 H31 50.1 2_655 2_655 2_655 no H6 H16 H32 89.4 2_655 2_655 2_655 no H7 H16 H8 55.2 2_655 2_655 2_655 no H7 H16 H9 53.8 2_655 2_655 2_655 no H7 H16 H10 129.0 2_655 2_655 2_655 no H7 H16 H15 57.3 2_655 2_655 2_655 no H7 H16 H31 70.0 2_655 2_655 2_655 no H7 H16 H32 106.5 2_655 2_655 2_655 no H8 H16 H9 41.7 4_565 4_565 4_565 no H8 H16 H10 115.4 4_565 4_565 4_565 no H8 H16 H15 84.9 4_565 4_565 4_565 no H8 H16 H31 123.3 4_565 4_565 4_565 no H8 H16 H32 158.7 4_565 4_565 4_565 no H9 H16 H10 154.7 4_565 4_565 4_565 no H9 H16 H15 46.2 4_565 4_565 4_565 no H9 H16 H31 114.0 4_565 4_565 4_565 no H9 H16 H32 120.4 4_565 4_565 4_565 no H10 H16 H15 159.0 . . . no H10 H16 H31 87.1 . . . no H10 H16 H32 84.2 . . . no H15 H16 H31 76.7 . . . no H15 H16 H32 75.0 . . . no H31 H16 H32 45.4 . . . no O2 H17 N3 135.4 4_475 4_475 4_475 no O2 H17 N3 36.2 4_475 4_475 4_475 no O2 H17 N4 167.5 4_475 4_475 4_475 no O2 H17 N4 32.8 4_475 4_475 4_475 no O2 H17 C19 154.6 4_475 4_475 4_475 no O2 H17 C19 21.9 4_475 4_475 4_475 no O2 H17 C20 123.1 4_475 4_475 4_475 no O2 H17 C21 155.3 4_475 4_475 4_475 no O2 H17 C22 165.7 4_475 4_475 4_475 no O2 H17 C23 91.0 4_475 4_475 4_475 no O2 H17 C24 136.2 4_475 4_475 4_475 no O2 H17 C25 48.0 4_475 4_475 4_475 no O2 H17 C26 71.0 4_475 4_475 4_475 no O2 H17 C26 65.8 4_475 4_475 4_475 no O2 H17 C27 83.1 4_475 4_475 4_475 no O2 H17 C27 62.6 4_475 4_475 4_475 no O2 H17 H14 116.7 4_475 4_475 4_475 no O2 H17 H18 77.8 4_475 4_475 4_475 no O2 H17 H19 97.0 4_475 4_475 4_475 no O2 H17 H19 110.3 4_475 4_475 4_475 no O2 H17 H20 79.3 4_475 4_475 4_475 no O2 H17 H21 137.7 4_475 4_475 4_475 no O2 H17 H22 113.4 4_475 4_475 4_475 no O2 H17 H23 131.6 4_475 4_475 4_475 no O2 H17 H24 80.4 4_475 4_475 4_475 no O2 H17 H24 56.4 4_475 4_475 4_475 no O2 H17 H25 51.7 4_475 4_475 4_475 no N3 H17 N3 127.7 . . . no N3 H17 N4 41.2 . . . no N3 H17 N4 164.7 . . . no N3 H17 C19 21.2 . . . no N3 H17 C19 146.1 . . . no N3 H17 C20 13.0 . . . no N3 H17 C21 20.4 . . . no N3 H17 C22 52.3 . . . no N3 H17 C23 45.9 . . . no N3 H17 C24 86.0 . . . no N3 H17 C25 105.1 . . . no N3 H17 C26 88.3 . . . no N3 H17 C26 113.6 . . . no N3 H17 C27 69.6 . . . no N3 H17 C27 132.4 . . . no N3 H17 H14 93.2 . . . no N3 H17 H18 64.4 . . . no N3 H17 H19 40.9 . . . no N3 H17 H19 76.1 . . . no N3 H17 H20 56.3 . . . no N3 H17 H21 86.9 . . . no N3 H17 H22 108.8 . . . no N3 H17 H23 84.9 . . . no N3 H17 H24 93.2 . . . no N3 H17 H24 108.4 . . . no N3 H17 H25 149.5 . . . no N3 H17 N4 132.4 4_475 4_475 4_475 no N3 H17 N4 37.6 4_475 4_475 4_475 no N3 H17 C19 132.8 4_475 4_475 4_475 no N3 H17 C19 21.8 4_475 4_475 4_475 no N3 H17 C20 122.1 4_475 4_475 4_475 no N3 H17 C21 135.9 4_475 4_475 4_475 no N3 H17 C22 130.3 4_475 4_475 4_475 no N3 H17 C23 101.6 4_475 4_475 4_475 no N3 H17 C24 112.4 4_475 4_475 4_475 no N3 H17 C25 22.8 4_475 4_475 4_475 no N3 H17 C26 41.0 4_475 4_475 4_475 no N3 H17 C26 100.9 4_475 4_475 4_475 no N3 H17 C27 58.6 4_475 4_475 4_475 no N3 H17 C27 92.1 4_475 4_475 4_475 no N3 H17 H14 139.1 4_475 4_475 4_475 no N3 H17 H18 100.3 4_475 4_475 4_475 no N3 H17 H19 108.2 4_475 4_475 4_475 no N3 H17 H19 146.2 4_475 4_475 4_475 no N3 H17 H20 81.6 4_475 4_475 4_475 no N3 H17 H21 123.5 4_475 4_475 4_475 no N3 H17 H22 95.4 4_475 4_475 4_475 no N3 H17 H23 102.1 4_475 4_475 4_475 no N3 H17 H24 45.0 4_475 4_475 4_475 no N3 H17 H24 92.5 4_475 4_475 4_475 no N3 H17 H25 76.5 4_475 4_475 4_475 no N4 H17 N4 146.4 . . . no N4 H17 C19 20.0 . . . no N4 H17 C19 150.3 . . . no N4 H17 C20 54.2 . . . no N4 H17 C21 21.1 . . . no N4 H17 C22 11.2 . . . no N4 H17 C23 87.1 . . . no N4 H17 C24 44.8 . . . no N4 H17 C25 119.5 . . . no N4 H17 C26 96.5 . . . no N4 H17 C26 126.4 . . . no N4 H17 C27 84.9 . . . no N4 H17 C27 129.6 . . . no N4 H17 H14 75.5 . . . no N4 H17 H18 104.0 . . . no N4 H17 H19 81.9 . . . no N4 H17 H19 81.4 . . . no N4 H17 H20 94.9 . . . no N4 H17 H21 47.8 . . . no N4 H17 H22 67.7 . . . no N4 H17 H23 45.1 . . . no N4 H17 H24 87.6 . . . no N4 H17 H24 134.2 . . . no N4 H17 H25 139.1 . . . no N4 H17 C19 162.9 4_475 4_475 4_475 no N4 H17 C19 18.7 4_475 4_475 4_475 no N4 H17 C20 154.9 4_475 4_475 4_475 no N4 H17 C21 165.9 4_475 4_475 4_475 no N4 H17 C22 136.3 4_475 4_475 4_475 no N4 H17 C23 123.8 4_475 4_475 4_475 no N4 H17 C24 103.6 4_475 4_475 4_475 no N4 H17 C25 59.9 4_475 4_475 4_475 no N4 H17 C26 78.0 4_475 4_475 4_475 no N4 H17 C26 73.0 4_475 4_475 4_475 no N4 H17 C27 96.2 4_475 4_475 4_475 no N4 H17 C27 57.6 4_475 4_475 4_475 no N4 H17 H14 101.8 4_475 4_475 4_475 no N4 H17 H18 109.4 4_475 4_475 4_475 no N4 H17 H19 129.8 4_475 4_475 4_475 no N4 H17 H19 115.2 4_475 4_475 4_475 no N4 H17 H20 110.0 4_475 4_475 4_475 no N4 H17 H21 105.6 4_475 4_475 4_475 no N4 H17 H22 80.7 4_475 4_475 4_475 no N4 H17 H23 101.4 4_475 4_475 4_475 no N4 H17 H24 76.2 4_475 4_475 4_475 no N4 H17 H24 73.4 4_475 4_475 4_475 no N4 H17 H25 40.7 4_475 4_475 4_475 no C19 H17 C19 154.5 . . . no C19 H17 C20 34.2 . . . no C19 H17 C21 3.3 . . . no C19 H17 C22 31.2 . . . no C19 H17 C23 67.1 . . . no C19 H17 C24 64.8 . . . no C19 H17 C25 113.3 . . . no C19 H17 C26 92.0 . . . no C19 H17 C26 122.9 . . . no C19 H17 C27 76.1 . . . no C19 H17 C27 135.1 . . . no C19 H17 H14 84.4 . . . no C19 H17 H18 84.9 . . . no C19 H17 H19 62.0 . . . no C19 H17 H19 78.7 . . . no C19 H17 H20 75.8 . . . no C19 H17 H21 66.9 . . . no C19 H17 H22 87.7 . . . no C19 H17 H23 64.2 . . . no C19 H17 H24 89.8 . . . no C19 H17 H24 123.6 . . . no C19 H17 H25 150.2 . . . no C19 H17 C20 136.9 4_475 4_475 4_475 no C19 H17 C21 157.6 4_475 4_475 4_475 no C19 H17 C22 144.0 4_475 4_475 4_475 no C19 H17 C23 108.4 4_475 4_475 4_475 no C19 H17 C24 115.9 4_475 4_475 4_475 no C19 H17 C25 42.4 4_475 4_475 4_475 no C19 H17 C26 62.6 4_475 4_475 4_475 no C19 H17 C26 80.6 4_475 4_475 4_475 no C19 H17 C27 79.5 4_475 4_475 4_475 no C19 H17 C27 70.4 4_475 4_475 4_475 no C19 H17 H14 119.4 4_475 4_475 4_475 no C19 H17 H18 98.7 4_475 4_475 4_475 no C19 H17 H19 114.9 4_475 4_475 4_475 no C19 H17 H19 125.9 4_475 4_475 4_475 no C19 H17 H20 92.3 4_475 4_475 4_475 no C19 H17 H21 121.3 4_475 4_475 4_475 no C19 H17 H22 94.2 4_475 4_475 4_475 no C19 H17 H23 109.9 4_475 4_475 4_475 no C19 H17 H24 65.6 4_475 4_475 4_475 no C19 H17 H24 75.4 4_475 4_475 4_475 no C19 H17 H25 54.9 4_475 4_475 4_475 no C20 H17 C21 33.3 . . . no C20 H17 C22 65.3 . . . no C20 H17 C23 33.0 . . . no C20 H17 C24 98.9 . . . no C20 H17 C25 99.4 . . . no C20 H17 C26 86.4 . . . no C20 H17 C26 106.3 . . . no C20 H17 C27 67.2 . . . no C20 H17 C27 127.2 . . . no C20 H17 H14 98.2 . . . no C20 H17 H18 51.9 . . . no C20 H17 H19 28.0 . . . no C20 H17 H19 75.1 . . . no C20 H17 H20 44.9 . . . no C20 H17 H21 99.1 . . . no C20 H17 H22 121.8 . . . no C20 H17 H23 97.7 . . . no C20 H17 H24 95.5 . . . no C20 H17 H24 98.3 . . . no C20 H17 H25 142.9 . . . no C21 H17 C22 32.1 . . . no C21 H17 C23 66.2 . . . no C21 H17 C24 65.7 . . . no C21 H17 C25 115.9 . . . no C21 H17 C26 95.0 . . . no C21 H17 C26 119.5 . . . no C21 H17 C27 78.7 . . . no C21 H17 C27 131.9 . . . no C21 H17 H14 81.9 . . . no C21 H17 H18 83.2 . . . no C21 H17 H19 60.9 . . . no C21 H17 H19 75.4 . . . no C21 H17 H20 76.0 . . . no C21 H17 H21 66.7 . . . no C21 H17 H22 88.7 . . . no C21 H17 H23 65.9 . . . no C21 H17 H24 93.1 . . . no C21 H17 H24 120.6 . . . no C21 H17 H25 147.4 . . . no C22 H17 C23 98.2 . . . no C22 H17 C24 33.6 . . . no C22 H17 C25 122.2 . . . no C22 H17 C26 99.5 . . . no C22 H17 C26 125.4 . . . no C22 H17 C27 90.8 . . . no C22 H17 C27 123.6 . . . no C22 H17 H14 70.3 . . . no C22 H17 H18 114.3 . . . no C22 H17 H19 92.9 . . . no C22 H17 H19 82.5 . . . no C22 H17 H20 105.8 . . . no C22 H17 H21 37.2 . . . no C22 H17 H22 56.6 . . . no C22 H17 H23 35.2 . . . no C22 H17 H24 87.4 . . . no C22 H17 H24 137.0 . . . no C22 H17 H25 130.2 . . . no C23 H17 C24 131.9 . . . no C23 H17 C25 82.4 . . . no C23 H17 C26 81.1 . . . no C23 H17 C26 87.1 . . . no C23 H17 C27 65.2 . . . no C23 H17 C27 108.6 . . . no C23 H17 H14 110.3 . . . no C23 H17 H18 22.8 . . . no C23 H17 H19 6.7 . . . no C23 H17 H19 77.7 . . . no C23 H17 H20 21.4 . . . no C23 H17 H21 130.2 . . . no C23 H17 H22 154.8 . . . no C23 H17 H23 129.7 . . . no C23 H17 H24 98.3 . . . no C23 H17 H24 73.2 . . . no C23 H17 H25 118.4 . . . no C24 H17 C25 118.9 . . . no C24 H17 C26 102.8 . . . no C24 H17 C26 117.0 . . . no C24 H17 C27 104.8 . . . no C24 H17 C27 103.3 . . . no C24 H17 H14 62.8 . . . no C24 H17 H18 145.4 . . . no C24 H17 H19 126.4 . . . no C24 H17 H19 90.6 . . . no C24 H17 H20 136.9 . . . no C24 H17 H21 15.5 . . . no C24 H17 H22 23.0 . . . no C24 H17 H23 14.0 . . . no C24 H17 H24 84.1 . . . no C24 H17 H24 134.8 . . . no C24 H17 H25 102.3 . . . no C25 H17 C26 23.0 4_475 4_475 4_475 no C25 H17 C26 112.4 4_475 4_475 4_475 no C25 H17 C27 37.3 4_475 4_475 4_475 no C25 H17 C27 110.1 4_475 4_475 4_475 no C25 H17 H14 161.7 4_475 4_475 4_475 no C25 H17 H18 87.4 4_475 4_475 4_475 no C25 H17 H19 88.7 4_475 4_475 4_475 no C25 H17 H19 150.4 4_475 4_475 4_475 no C25 H17 H20 61.3 4_475 4_475 4_475 no C25 H17 H21 133.6 4_475 4_475 4_475 no C25 H17 H22 108.8 4_475 4_475 4_475 no C25 H17 H23 105.7 4_475 4_475 4_475 no C25 H17 H24 36.5 4_475 4_475 4_475 no C25 H17 H24 98.9 4_475 4_475 4_475 no C25 H17 H25 96.5 4_475 4_475 4_475 no C26 H17 C26 134.9 4_475 4_475 4_475 no C26 H17 C27 19.3 4_475 4_475 4_475 no C26 H17 C27 132.5 4_475 4_475 4_475 no C26 H17 H14 165.3 4_475 4_475 4_475 no C26 H17 H18 94.3 4_475 4_475 4_475 no C26 H17 H19 86.0 4_475 4_475 4_475 no C26 H17 H19 158.8 4_475 4_475 4_475 no C26 H17 H20 60.5 4_475 4_475 4_475 no C26 H17 H21 118.3 4_475 4_475 4_475 no C26 H17 H22 100.4 4_475 4_475 4_475 no C26 H17 H23 88.8 4_475 4_475 4_475 no C26 H17 H24 19.7 4_475 4_475 4_475 no C26 H17 H24 119.8 4_475 4_475 4_475 no C26 H17 H25 117.5 4_475 4_475 4_475 no C26 H17 C27 138.1 3_686 3_686 3_686 no C26 H17 C27 21.9 3_686 3_686 3_686 no C26 H17 H14 57.2 3_686 3_686 3_686 no C26 H17 H18 64.9 3_686 3_686 3_686 no C26 H17 H19 86.9 3_686 3_686 3_686 no C26 H17 H19 45.4 3_686 3_686 3_686 no C26 H17 H20 98.4 3_686 3_686 3_686 no C26 H17 H21 102.5 3_686 3_686 3_686 no C26 H17 H22 108.0 3_686 3_686 3_686 no C26 H17 H23 130.1 3_686 3_686 3_686 no C26 H17 H24 145.9 3_686 3_686 3_686 no C26 H17 H24 17.9 3_686 3_686 3_686 no C26 H17 H25 36.6 3_686 3_686 3_686 no C27 H17 C27 145.5 4_475 4_475 4_475 no C27 H17 H14 160.1 4_475 4_475 4_475 no C27 H17 H18 82.3 4_475 4_475 4_475 no C27 H17 H19 69.1 4_475 4_475 4_475 no C27 H17 H19 140.9 4_475 4_475 4_475 no C27 H17 H20 46.4 4_475 4_475 4_475 no C27 H17 H21 119.3 4_475 4_475 4_475 no C27 H17 H22 109.9 4_475 4_475 4_475 no C27 H17 H23 91.4 4_475 4_475 4_475 no C27 H17 H24 33.1 4_475 4_475 4_475 no C27 H17 H24 120.4 4_475 4_475 4_475 no C27 H17 H25 133.6 4_475 4_475 4_475 no C27 H17 H14 54.1 3_686 3_686 3_686 no C27 H17 H18 86.0 3_686 3_686 3_686 no C27 H17 H19 108.7 3_686 3_686 3_686 no C27 H17 H19 57.5 3_686 3_686 3_686 no C27 H17 H20 117.2 3_686 3_686 3_686 no C27 H17 H21 91.2 3_686 3_686 3_686 no C27 H17 H22 89.1 3_686 3_686 3_686 no C27 H17 H23 114.1 3_686 3_686 3_686 no C27 H17 H24 133.7 3_686 3_686 3_686 no C27 H17 H24 36.0 3_686 3_686 3_686 no C27 H17 H25 17.2 3_686 3_686 3_686 no H14 H17 H18 99.5 2_656 2_656 2_656 no H14 H17 H19 104.7 2_656 2_656 2_656 no H14 H17 H19 33.6 2_656 2_656 2_656 no H14 H17 H20 131.6 2_656 2_656 2_656 no H14 H17 H21 47.3 2_656 2_656 2_656 no H14 H17 H22 65.3 2_656 2_656 2_656 no H14 H17 H23 76.8 2_656 2_656 2_656 no H14 H17 H24 145.6 2_656 2_656 2_656 no H14 H17 H24 73.6 2_656 2_656 2_656 no H14 H17 H25 66.1 2_656 2_656 2_656 no H18 H17 H19 24.7 . . . no H18 H17 H19 66.1 . . . no H18 H17 H20 36.0 . . . no H18 H17 H21 136.3 . . . no H18 H17 H22 163.8 . . . no H18 H17 H23 149.1 . . . no H18 H17 H24 113.6 . . . no H18 H17 H24 50.4 . . . no H18 H17 H25 95.9 . . . no H19 H17 H19 72.8 . . . no H19 H17 H20 27.4 . . . no H19 H17 H21 123.7 . . . no H19 H17 H22 149.4 . . . no H19 H17 H23 125.7 . . . no H19 H17 H24 102.2 . . . no H19 H17 H24 74.4 . . . no H19 H17 H25 120.3 . . . no H19 H17 H20 98.6 3_686 3_686 3_686 no H19 H17 H21 75.7 3_686 3_686 3_686 no H19 H17 H22 98.3 3_686 3_686 3_686 no H19 H17 H23 103.9 3_686 3_686 3_686 no H19 H17 H24 168.4 3_686 3_686 3_686 no H19 H17 H24 54.5 3_686 3_686 3_686 no H19 H17 H25 74.5 3_686 3_686 3_686 no H20 H17 H21 142.6 . . . no H20 H17 H22 153.5 . . . no H20 H17 H23 128.4 . . . no H20 H17 H24 78.7 . . . no H20 H17 H24 81.6 . . . no H20 H17 H25 120.8 . . . no H21 H17 H22 28.3 . . . no H21 H17 H23 29.5 . . . no H21 H17 H24 99.5 . . . no H21 H17 H24 120.0 . . . no H21 H17 H25 93.7 . . . no H22 H17 H23 26.4 . . . no H22 H17 H24 80.7 . . . no H22 H17 H24 124.9 . . . no H22 H17 H25 83.5 . . . no H23 H17 H24 70.2 . . . no H23 H17 H24 148.0 . . . no H23 H17 H25 109.9 . . . no H24 H17 H24 135.1 4_475 4_475 4_475 no H24 H17 H25 116.6 4_475 4_475 4_475 no H24 H17 H25 45.9 3_686 3_686 3_686 no O2 H18 N3 110.8 4_475 4_475 4_475 no O2 H18 N3 102.0 4_475 4_475 4_475 no O2 H18 C15 119.4 4_475 4_475 4_475 no O2 H18 C16 136.6 4_475 4_475 4_475 no O2 H18 C19 102.8 4_475 4_475 4_475 no O2 H18 C20 94.2 4_475 4_475 4_475 no O2 H18 C20 120.9 4_475 4_475 4_475 no O2 H18 C21 68.3 4_475 4_475 4_475 no O2 H18 C21 140.6 4_475 4_475 4_475 no O2 H18 C23 110.7 4_475 4_475 4_475 no O2 H18 C23 113.7 4_475 4_475 4_475 no O2 H18 C24 58.5 4_475 4_475 4_475 no O2 H18 C25 130.4 4_475 4_475 4_475 no O2 H18 C25 82.0 4_475 4_475 4_475 no O2 H18 C26 60.5 4_475 4_475 4_475 no O2 H18 H13 115.5 4_475 4_475 4_475 no O2 H18 H14 152.5 4_475 4_475 4_475 no O2 H18 H17 45.3 4_475 4_475 4_475 no O2 H18 H18 121.8 4_475 4_475 4_475 no O2 H18 H19 143.6 4_475 4_475 4_475 no O2 H18 H19 97.0 4_475 4_475 4_475 no O2 H18 H20 84.5 4_475 4_475 4_475 no O2 H18 H22 71.6 4_475 4_475 4_475 no O2 H18 H23 51.8 4_475 4_475 4_475 no O2 H18 H24 52.4 4_475 4_475 4_475 no N3 H18 N3 115.9 . . . no N3 H18 C15 111.5 . . . no N3 H18 C16 91.5 . . . no N3 H18 C19 132.2 . . . no N3 H18 C20 16.7 . . . no N3 H18 C20 94.6 . . . no N3 H18 C21 45.8 . . . no N3 H18 C21 91.9 . . . no N3 H18 C23 35.2 . . . no N3 H18 C23 76.1 . . . no N3 H18 C24 151.5 . . . no N3 H18 C25 22.8 . . . no N3 H18 C25 115.6 . . . no N3 H18 C26 119.8 . . . no N3 H18 H13 123.8 . . . no N3 H18 H14 80.4 . . . no N3 H18 H17 69.2 . . . no N3 H18 H18 60.1 . . . no N3 H18 H19 50.2 . . . no N3 H18 H19 80.0 . . . no N3 H18 H20 66.4 . . . no N3 H18 H22 159.7 . . . no N3 H18 H23 136.5 . . . no N3 H18 H24 129.0 . . . no N3 H18 C15 96.3 3_686 3_686 3_686 no N3 H18 C16 100.5 3_686 3_686 3_686 no N3 H18 C19 20.9 3_686 3_686 3_686 no N3 H18 C20 120.0 3_686 3_686 3_686 no N3 H18 C20 23.3 3_686 3_686 3_686 no N3 H18 C21 109.4 3_686 3_686 3_686 no N3 H18 C21 38.7 3_686 3_686 3_686 no N3 H18 C23 142.6 3_686 3_686 3_686 no N3 H18 C23 40.0 3_686 3_686 3_686 no N3 H18 C24 92.6 3_686 3_686 3_686 no N3 H18 C25 114.4 3_686 3_686 3_686 no N3 H18 C25 22.2 3_686 3_686 3_686 no N3 H18 C26 42.8 3_686 3_686 3_686 no N3 H18 H13 83.8 3_686 3_686 3_686 no N3 H18 H14 94.6 3_686 3_686 3_686 no N3 H18 H17 105.2 3_686 3_686 3_686 no N3 H18 H18 55.7 3_686 3_686 3_686 no N3 H18 H19 114.1 3_686 3_686 3_686 no N3 H18 H19 41.7 3_686 3_686 3_686 no N3 H18 H20 171.1 3_686 3_686 3_686 no N3 H18 H22 82.2 3_686 3_686 3_686 no N3 H18 H23 107.3 3_686 3_686 3_686 no N3 H18 H24 49.6 3_686 3_686 3_686 no C15 H18 C16 21.0 4_475 4_475 4_475 no C15 H18 C19 77.8 4_475 4_475 4_475 no C15 H18 C20 124.3 4_475 4_475 4_475 no C15 H18 C20 96.5 4_475 4_475 4_475 no C15 H18 C21 151.3 4_475 4_475 4_475 no C15 H18 C21 77.5 4_475 4_475 4_475 no C15 H18 C23 83.3 4_475 4_475 4_475 no C15 H18 C23 117.2 4_475 4_475 4_475 no C15 H18 C24 63.4 4_475 4_475 4_475 no C15 H18 C25 89.7 4_475 4_475 4_475 no C15 H18 C25 114.7 4_475 4_475 4_475 no C15 H18 C26 124.2 4_475 4_475 4_475 no C15 H18 H13 14.4 4_475 4_475 4_475 no C15 H18 H14 36.0 4_475 4_475 4_475 no C15 H18 H17 155.6 4_475 4_475 4_475 no C15 H18 H18 116.3 4_475 4_475 4_475 no C15 H18 H19 61.8 4_475 4_475 4_475 no C15 H18 H19 131.4 4_475 4_475 4_475 no C15 H18 H20 75.0 4_475 4_475 4_475 no C15 H18 H22 54.4 4_475 4_475 4_475 no C15 H18 H23 67.6 4_475 4_475 4_475 no C15 H18 H24 118.2 4_475 4_475 4_475 no C16 H18 C19 86.4 4_475 4_475 4_475 no C16 H18 C20 105.8 4_475 4_475 4_475 no C16 H18 C20 92.3 4_475 4_475 4_475 no C16 H18 C21 135.3 4_475 4_475 4_475 no C16 H18 C21 70.9 4_475 4_475 4_475 no C16 H18 C23 67.5 4_475 4_475 4_475 no C16 H18 C23 107.5 4_475 4_475 4_475 no C16 H18 C24 83.9 4_475 4_475 4_475 no C16 H18 C25 69.2 4_475 4_475 4_475 no C16 H18 C25 122.2 4_475 4_475 4_475 no C16 H18 C26 138.2 4_475 4_475 4_475 no C16 H18 H13 32.4 4_475 4_475 4_475 no C16 H18 H14 16.3 4_475 4_475 4_475 no C16 H18 H17 152.8 4_475 4_475 4_475 no C16 H18 H18 101.5 4_475 4_475 4_475 no C16 H18 H19 41.3 4_475 4_475 4_475 no C16 H18 H19 124.0 4_475 4_475 4_475 no C16 H18 H20 70.6 4_475 4_475 4_475 no C16 H18 H22 75.4 4_475 4_475 4_475 no C16 H18 H23 86.2 4_475 4_475 4_475 no C16 H18 H24 135.6 4_475 4_475 4_475 no C19 H18 C20 139.8 3_686 3_686 3_686 no C19 H18 C20 37.9 3_686 3_686 3_686 no C19 H18 C21 129.5 3_686 3_686 3_686 no C19 H18 C21 42.7 3_686 3_686 3_686 no C19 H18 C23 146.4 3_686 3_686 3_686 no C19 H18 C23 59.3 3_686 3_686 3_686 no C19 H18 C24 75.7 3_686 3_686 3_686 no C19 H18 C25 123.3 3_686 3_686 3_686 no C19 H18 C25 37.1 3_686 3_686 3_686 no C19 H18 C26 52.3 3_686 3_686 3_686 no C19 H18 H13 64.4 3_686 3_686 3_686 no C19 H18 H14 85.2 3_686 3_686 3_686 no C19 H18 H17 120.7 3_686 3_686 3_686 no C19 H18 H18 73.5 3_686 3_686 3_686 no C19 H18 H19 112.3 3_686 3_686 3_686 no C19 H18 H19 62.6 3_686 3_686 3_686 no C19 H18 H20 151.9 3_686 3_686 3_686 no C19 H18 H22 63.5 3_686 3_686 3_686 no C19 H18 H23 91.1 3_686 3_686 3_686 no C19 H18 H24 54.2 3_686 3_686 3_686 no C20 H18 C20 102.4 . . . no C20 H18 C21 30.1 . . . no C20 H18 C21 104.6 . . . no C20 H18 C23 41.9 . . . no C20 H18 C23 80.5 . . . no C20 H18 C24 142.5 . . . no C20 H18 C25 38.8 . . . no C20 H18 C25 112.8 . . . no C20 H18 C26 110.6 . . . no C20 H18 H13 137.9 . . . no C20 H18 H14 96.2 . . . no C20 H18 H17 52.9 . . . no C20 H18 H18 66.6 . . . no C20 H18 H19 65.1 . . . no C20 H18 H19 79.4 . . . no C20 H18 H20 64.9 . . . no C20 H18 H22 156.3 . . . no C20 H18 H23 127.2 . . . no C20 H18 H24 117.5 . . . no C20 H18 C21 102.3 3_686 3_686 3_686 no C20 H18 C21 21.6 3_686 3_686 3_686 no C20 H18 C23 119.4 3_686 3_686 3_686 no C20 H18 C23 23.9 3_686 3_686 3_686 no C20 H18 C24 113.6 3_686 3_686 3_686 no C20 H18 C25 91.1 3_686 3_686 3_686 no C20 H18 C25 39.3 3_686 3_686 3_686 no C20 H18 C26 60.6 3_686 3_686 3_686 no C20 H18 H13 87.7 3_686 3_686 3_686 no C20 H18 H14 81.4 3_686 3_686 3_686 no C20 H18 H17 107.8 3_686 3_686 3_686 no C20 H18 H18 35.8 3_686 3_686 3_686 no C20 H18 H19 93.6 3_686 3_686 3_686 no C20 H18 H19 35.0 3_686 3_686 3_686 no C20 H18 H20 153.3 3_686 3_686 3_686 no C20 H18 H22 101.2 3_686 3_686 3_686 no C20 H18 H23 128.9 3_686 3_686 3_686 no C20 H18 H24 69.9 3_686 3_686 3_686 no C21 H18 C21 115.1 . . . no C21 H18 C23 68.6 . . . no C21 H18 C23 78.5 . . . no C21 H18 C24 125.6 . . . no C21 H18 C25 68.5 . . . no C21 H18 C25 93.3 . . . no C21 H18 C26 84.2 . . . no C21 H18 H13 165.6 . . . no C21 H18 H14 126.2 . . . no C21 H18 H17 23.7 . . . no C21 H18 H18 71.4 . . . no C21 H18 H19 95.2 . . . no C21 H18 H19 69.2 . . . no C21 H18 H20 78.5 . . . no C21 H18 H22 139.7 . . . no C21 H18 H23 114.2 . . . no C21 H18 H24 88.9 . . . no C21 H18 C23 106.3 3_686 3_686 3_686 no C21 H18 C23 39.7 3_686 3_686 3_686 no C21 H18 C24 112.8 3_686 3_686 3_686 no C21 H18 C25 80.7 3_686 3_686 3_686 no C21 H18 C25 59.0 3_686 3_686 3_686 no C21 H18 C26 80.5 3_686 3_686 3_686 no C21 H18 H13 71.5 3_686 3_686 3_686 no C21 H18 H14 59.8 3_686 3_686 3_686 no C21 H18 H17 126.7 3_686 3_686 3_686 no C21 H18 H18 43.8 3_686 3_686 3_686 no C21 H18 H19 75.5 3_686 3_686 3_686 no C21 H18 H19 54.4 3_686 3_686 3_686 no C21 H18 H20 134.8 3_686 3_686 3_686 no C21 H18 H22 98.1 3_686 3_686 3_686 no C21 H18 H23 127.6 3_686 3_686 3_686 no C21 H18 H24 88.2 3_686 3_686 3_686 no C23 H18 C23 107.6 . . . no C23 H18 C24 119.6 . . . no C23 H18 C25 28.5 . . . no C23 H18 C25 150.3 . . . no C23 H18 C26 152.4 . . . no C23 H18 H13 97.5 . . . no C23 H18 H14 63.7 . . . no C23 H18 H17 86.4 . . . no C23 H18 H18 90.9 . . . no C23 H18 H19 34.4 . . . no C23 H18 H19 114.5 . . . no C23 H18 H20 35.6 . . . no C23 H18 H22 124.6 . . . no C23 H18 H23 107.0 . . . no C23 H18 H24 156.7 . . . no C23 H18 C24 132.0 3_686 3_686 3_686 no C23 H18 C25 79.9 3_686 3_686 3_686 no C23 H18 C25 43.8 3_686 3_686 3_686 no C23 H18 C26 60.4 3_686 3_686 3_686 no C23 H18 H13 110.5 3_686 3_686 3_686 no C23 H18 H14 93.1 3_686 3_686 3_686 no C23 H18 H17 87.0 3_686 3_686 3_686 no C23 H18 H18 16.7 3_686 3_686 3_686 no C23 H18 H19 93.0 3_686 3_686 3_686 no C23 H18 H19 16.7 3_686 3_686 3_686 no C23 H18 H20 142.3 3_686 3_686 3_686 no C23 H18 H22 122.3 3_686 3_686 3_686 no C23 H18 H23 145.4 3_686 3_686 3_686 no C23 H18 H24 72.0 3_686 3_686 3_686 no C24 H18 C25 144.4 2_556 2_556 2_556 no C24 H18 C25 90.1 2_556 2_556 2_556 no C24 H18 C26 79.8 2_556 2_556 2_556 no C24 H18 H13 57.0 2_556 2_556 2_556 no C24 H18 H14 99.4 2_556 2_556 2_556 no C24 H18 H17 103.7 2_556 2_556 2_556 no C24 H18 H18 148.3 2_556 2_556 2_556 no C24 H18 H19 120.6 2_556 2_556 2_556 no C24 H18 H19 125.5 2_556 2_556 2_556 no C24 H18 H20 85.6 2_556 2_556 2_556 no C24 H18 H22 15.0 2_556 2_556 2_556 no C24 H18 H23 15.5 2_556 2_556 2_556 no C24 H18 H24 68.4 2_556 2_556 2_556 no C25 H18 C25 123.7 . . . no C25 H18 C26 135.8 . . . no C25 H18 H13 101.3 . . . no C25 H18 H14 57.6 . . . no C25 H18 H17 91.7 . . . no C25 H18 H18 63.3 . . . no C25 H18 H19 27.9 . . . no C25 H18 H19 89.5 . . . no C25 H18 H20 64.0 . . . no C25 H18 H22 142.8 . . . no C25 H18 H23 134.4 . . . no C25 H18 H24 147.1 . . . no C25 H18 C26 21.5 3_686 3_686 3_686 no C25 H18 H13 100.9 3_686 3_686 3_686 no C25 H18 H14 116.7 3_686 3_686 3_686 no C25 H18 H17 84.4 3_686 3_686 3_686 no C25 H18 H18 60.3 3_686 3_686 3_686 no C25 H18 H19 132.7 3_686 3_686 3_686 no C25 H18 H19 35.8 3_686 3_686 3_686 no C25 H18 H20 166.1 3_686 3_686 3_686 no C25 H18 H22 84.6 3_686 3_686 3_686 no C25 H18 H23 101.9 3_686 3_686 3_686 no C25 H18 H24 30.7 3_686 3_686 3_686 no C26 H18 H13 109.9 3_686 3_686 3_686 no C26 H18 H14 136.8 3_686 3_686 3_686 no C26 H18 H17 69.0 3_686 3_686 3_686 no C26 H18 H18 75.5 3_686 3_686 3_686 no C26 H18 H19 153.1 3_686 3_686 3_686 no C26 H18 H19 47.5 3_686 3_686 3_686 no C26 H18 H20 144.7 3_686 3_686 3_686 no C26 H18 H22 79.4 3_686 3_686 3_686 no C26 H18 H23 87.9 3_686 3_686 3_686 no C26 H18 H24 11.9 3_686 3_686 3_686 no H13 H18 H14 44.4 4_475 4_475 4_475 no H13 H18 H17 159.6 4_475 4_475 4_475 no H13 H18 H18 114.0 4_475 4_475 4_475 no H13 H18 H19 73.6 4_475 4_475 4_475 no H13 H18 H19 122.2 4_475 4_475 4_475 no H13 H18 H20 87.9 4_475 4_475 4_475 no H13 H18 H22 45.3 4_475 4_475 4_475 no H13 H18 H23 65.0 4_475 4_475 4_475 no H13 H18 H24 104.4 4_475 4_475 4_475 no H14 H18 H17 148.7 4_475 4_475 4_475 no H14 H18 H18 85.6 4_475 4_475 4_475 no H14 H18 H19 31.6 4_475 4_475 4_475 no H14 H18 H19 109.8 4_475 4_475 4_475 no H14 H18 H20 77.1 4_475 4_475 4_475 no H14 H18 H22 89.4 4_475 4_475 4_475 no H14 H18 H23 102.5 4_475 4_475 4_475 no H14 H18 H24 139.1 4_475 4_475 4_475 no H17 H18 H18 85.8 . . . no H17 H18 H19 117.1 . . . no H17 H18 H19 73.0 . . . no H17 H18 H20 83.7 . . . no H17 H18 H22 116.8 . . . no H17 H18 H23 94.7 . . . no H17 H18 H24 70.3 . . . no H18 H18 H19 78.8 3_686 3_686 3_686 no H18 H18 H19 28.4 3_686 3_686 3_686 no H18 H18 H20 125.8 3_686 3_686 3_686 no H18 H18 H22 137.0 3_686 3_686 3_686 no H18 H18 H23 162.1 3_686 3_686 3_686 no H18 H18 H24 87.3 3_686 3_686 3_686 no H19 H18 H19 107.2 . . . no H19 H18 H20 60.0 . . . no H19 H18 H22 115.5 . . . no H19 H18 H23 116.3 . . . no H19 H18 H24 163.4 . . . no H19 H18 H20 144.3 3_686 3_686 3_686 no H19 H18 H22 120.2 3_686 3_686 3_686 no H19 H18 H23 135.4 3_686 3_686 3_686 no H19 H18 H24 59.3 3_686 3_686 3_686 no H20 H18 H22 94.3 . . . no H20 H18 H23 71.9 . . . no H20 H18 H24 136.6 . . . no H22 H18 H23 29.5 2_556 2_556 2_556 no H22 H18 H24 69.2 2_556 2_556 2_556 no H23 H18 H24 76.1 2_556 2_556 2_556 no N3 H19 C15 169.9 . . . no N3 H19 C16 149.2 . . . no N3 H19 C17 135.2 . . . no N3 H19 C19 2.2 . . . no N3 H19 C20 32.8 . . . no N3 H19 C20 96.3 . . . no N3 H19 C21 44.8 . . . no N3 H19 C21 106.2 . . . no N3 H19 C23 74.4 . . . no N3 H19 C25 34.4 . . . no N3 H19 C26 54.4 . . . no N3 H19 C27 72.1 . . . no N3 H19 C28 78.1 . . . no N3 H19 C29 72.4 . . . no N3 H19 C30 54.9 . . . no N3 H19 H13 166.9 . . . no N3 H19 H14 135.7 . . . no N3 H19 H17 61.3 . . . no N3 H19 H17 96.8 . . . no N3 H19 H18 97.2 . . . no N3 H19 H18 64.4 . . . no N3 H19 H20 87.7 . . . no N3 H19 H24 53.0 . . . no N3 H19 H27 55.6 . . . no C15 H19 C16 25.8 4_475 4_475 4_475 no C15 H19 C17 37.6 4_475 4_475 4_475 no C15 H19 C19 172.1 4_475 4_475 4_475 no C15 H19 C20 148.9 4_475 4_475 4_475 no C15 H19 C20 93.8 4_475 4_475 4_475 no C15 H19 C21 138.0 4_475 4_475 4_475 no C15 H19 C21 83.2 4_475 4_475 4_475 no C15 H19 C23 106.5 4_475 4_475 4_475 no C15 H19 C25 140.7 4_475 4_475 4_475 no C15 H19 C26 126.9 4_475 4_475 4_475 no C15 H19 C27 107.7 4_475 4_475 4_475 no C15 H19 C28 98.2 4_475 4_475 4_475 no C15 H19 C29 100.9 4_475 4_475 4_475 no C15 H19 C30 116.9 4_475 4_475 4_475 no C15 H19 H13 20.5 4_475 4_475 4_475 no C15 H19 H14 43.7 4_475 4_475 4_475 no C15 H19 H17 121.6 4_475 4_475 4_475 no C15 H19 H17 91.5 4_475 4_475 4_475 no C15 H19 H18 88.3 4_475 4_475 4_475 no C15 H19 H18 125.6 4_475 4_475 4_475 no C15 H19 H20 87.7 4_475 4_475 4_475 no C15 H19 H24 132.4 4_475 4_475 4_475 no C15 H19 H27 114.6 4_475 4_475 4_475 no C16 H19 C17 15.8 4_475 4_475 4_475 no C16 H19 C19 150.6 4_475 4_475 4_475 no C16 H19 C20 169.5 4_475 4_475 4_475 no C16 H19 C20 101.2 4_475 4_475 4_475 no C16 H19 C21 163.1 4_475 4_475 4_475 no C16 H19 C21 84.0 4_475 4_475 4_475 no C16 H19 C23 131.0 4_475 4_475 4_475 no C16 H19 C25 115.4 4_475 4_475 4_475 no C16 H19 C26 102.9 4_475 4_475 4_475 no C16 H19 C27 83.0 4_475 4_475 4_475 no C16 H19 C28 72.3 4_475 4_475 4_475 no C16 H19 C29 77.0 4_475 4_475 4_475 no C16 H19 C30 95.2 4_475 4_475 4_475 no C16 H19 H13 43.9 4_475 4_475 4_475 no C16 H19 H14 21.7 4_475 4_475 4_475 no C16 H19 H17 147.1 4_475 4_475 4_475 no C16 H19 H17 85.1 4_475 4_475 4_475 no C16 H19 H18 113.4 4_475 4_475 4_475 no C16 H19 H18 125.8 4_475 4_475 4_475 no C16 H19 H20 105.0 4_475 4_475 4_475 no C16 H19 H24 113.4 4_475 4_475 4_475 no C16 H19 H27 99.0 4_475 4_475 4_475 no C17 H19 C19 137.0 4_475 4_475 4_475 no C17 H19 C20 157.0 4_475 4_475 4_475 no C17 H19 C20 115.7 4_475 4_475 4_475 no C17 H19 C21 160.6 4_475 4_475 4_475 no C17 H19 C21 97.0 4_475 4_475 4_475 no C17 H19 C23 133.7 4_475 4_475 4_475 no C17 H19 C25 103.3 4_475 4_475 4_475 no C17 H19 C26 97.5 4_475 4_475 4_475 no C17 H19 C27 77.5 4_475 4_475 4_475 no C17 H19 C28 62.7 4_475 4_475 4_475 no C17 H19 C29 63.3 4_475 4_475 4_475 no C17 H19 C30 80.4 4_475 4_475 4_475 no C17 H19 H13 57.5 4_475 4_475 4_475 no C17 H19 H14 28.2 4_475 4_475 4_475 no C17 H19 H17 151.2 4_475 4_475 4_475 no C17 H19 H17 95.0 4_475 4_475 4_475 no C17 H19 H18 125.4 4_475 4_475 4_475 no C17 H19 H18 135.5 4_475 4_475 4_475 no C17 H19 H20 101.4 4_475 4_475 4_475 no C17 H19 H24 112.3 4_475 4_475 4_475 no C17 H19 H27 83.2 4_475 4_475 4_475 no C19 H19 C20 32.0 . . . no C19 H19 C20 94.1 . . . no C19 H19 C21 43.9 . . . no C19 H19 C21 104.2 . . . no C19 H19 C23 74.0 . . . no C19 H19 C25 35.4 . . . no C19 H19 C26 54.1 . . . no C19 H19 C27 72.2 . . . no C19 H19 C28 79.0 . . . no C19 H19 C29 73.9 . . . no C19 H19 C30 56.8 . . . no C19 H19 H13 165.5 . . . no C19 H19 H14 136.1 . . . no C19 H19 H17 60.5 . . . no C19 H19 H17 95.1 . . . no C19 H19 H18 95.9 . . . no C19 H19 H18 62.2 . . . no C19 H19 H20 88.6 . . . no C19 H19 H24 51.8 . . . no C19 H19 H27 57.7 . . . no C20 H19 C20 87.3 . . . no C20 H19 C21 12.4 . . . no C20 H19 C21 105.5 . . . no C20 H19 C23 42.4 . . . no C20 H19 C25 67.1 . . . no C20 H19 C26 84.1 . . . no C20 H19 C27 103.4 . . . no C20 H19 C28 110.8 . . . no C20 H19 C29 102.5 . . . no C20 H19 C30 83.1 . . . no C20 H19 H13 134.5 . . . no C20 H19 H14 167.2 . . . no C20 H19 H17 28.6 . . . no C20 H19 H17 105.3 . . . no C20 H19 H18 65.6 . . . no C20 H19 H18 64.4 . . . no C20 H19 H20 65.1 . . . no C20 H19 H24 75.7 . . . no C20 H19 H27 76.0 . . . no C20 H19 C21 81.1 3_686 3_686 3_686 no C20 H19 C21 20.8 3_686 3_686 3_686 no C20 H19 C23 87.5 3_686 3_686 3_686 no C20 H19 C25 106.6 3_686 3_686 3_686 no C20 H19 C26 82.9 3_686 3_686 3_686 no C20 H19 C27 89.5 3_686 3_686 3_686 no C20 H19 C28 109.2 3_686 3_686 3_686 no C20 H19 C29 128.9 3_686 3_686 3_686 no C20 H19 C30 133.5 3_686 3_686 3_686 no C20 H19 H13 77.0 3_686 3_686 3_686 no C20 H19 H14 89.8 3_686 3_686 3_686 no C20 H19 H17 78.4 3_686 3_686 3_686 no C20 H19 H17 32.6 3_686 3_686 3_686 no C20 H19 H18 59.3 3_686 3_686 3_686 no C20 H19 H18 32.7 3_686 3_686 3_686 no C20 H19 H20 119.2 3_686 3_686 3_686 no C20 H19 H24 64.9 3_686 3_686 3_686 no C20 H19 H27 148.0 3_686 3_686 3_686 no C21 H19 C21 101.0 . . . no C21 H19 C23 32.1 . . . no C21 H19 C25 79.2 . . . no C21 H19 C26 94.0 . . . no C21 H19 C27 113.8 . . . no C21 H19 C28 123.0 . . . no C21 H19 C29 114.7 . . . no C21 H19 C30 95.0 . . . no C21 H19 H13 122.3 . . . no C21 H19 H14 170.8 . . . no C21 H19 H17 16.6 . . . no C21 H19 H17 104.3 . . . no C21 H19 H18 53.3 . . . no C21 H19 H18 63.8 . . . no C21 H19 H20 60.3 . . . no C21 H19 H24 82.9 . . . no C21 H19 H27 86.5 . . . no C21 H19 C23 107.7 3_686 3_686 3_686 no C21 H19 C25 104.3 3_686 3_686 3_686 no C21 H19 C26 75.5 3_686 3_686 3_686 no C21 H19 C27 75.8 3_686 3_686 3_686 no C21 H19 C28 93.0 3_686 3_686 3_686 no C21 H19 C29 113.7 3_686 3_686 3_686 no C21 H19 C30 124.9 3_686 3_686 3_686 no C21 H19 H13 71.3 3_686 3_686 3_686 no C21 H19 H14 69.8 3_686 3_686 3_686 no C21 H19 H17 99.2 3_686 3_686 3_686 no C21 H19 H17 16.7 3_686 3_686 3_686 no C21 H19 H18 76.9 3_686 3_686 3_686 no C21 H19 H18 43.4 3_686 3_686 3_686 no C21 H19 H20 136.2 3_686 3_686 3_686 no C21 H19 H24 61.7 3_686 3_686 3_686 no C21 H19 H27 143.6 3_686 3_686 3_686 no C23 H19 C25 107.5 . . . no C23 H19 C26 126.1 . . . no C23 H19 C27 145.8 . . . no C23 H19 C28 149.2 . . . no C23 H19 C29 132.4 . . . no C23 H19 C30 113.2 . . . no C23 H19 H13 93.9 . . . no C23 H19 H14 149.9 . . . no C23 H19 H17 17.5 . . . no C23 H19 H17 119.2 . . . no C23 H19 H18 34.3 . . . no C23 H19 H18 85.7 . . . no C23 H19 H20 35.6 . . . no C23 H19 H24 113.9 . . . no C23 H19 H27 97.5 . . . no C25 H19 C26 30.4 . . . no C25 H19 C27 41.5 . . . no C25 H19 C28 43.7 . . . no C25 H19 C29 40.5 . . . no C25 H19 C30 29.0 . . . no C25 H19 H13 158.3 . . . no C25 H19 H14 102.0 . . . no C25 H19 H17 95.7 . . . no C25 H19 H17 88.6 . . . no C25 H19 H18 131.0 . . . no C25 H19 H18 76.0 . . . no C25 H19 H20 109.5 . . . no C25 H19 H24 42.9 . . . no C25 H19 H27 41.8 . . . no C26 H19 C27 20.1 . . . no C26 H19 C28 37.2 . . . no C26 H19 C29 49.4 . . . no C26 H19 C30 50.9 . . . no C26 H19 H13 134.3 . . . no C26 H19 H14 83.2 . . . no C26 H19 H17 109.6 . . . no C26 H19 H17 59.1 . . . no C26 H19 H18 131.1 . . . no C26 H19 H18 59.4 . . . no C26 H19 H20 139.3 . . . no C26 H19 H24 20.0 . . . no C26 H19 H27 68.5 . . . no C27 H19 C28 21.1 . . . no C27 H19 C29 39.4 . . . no C27 H19 C30 49.7 . . . no C27 H19 H13 118.6 . . . no C27 H19 H14 64.1 . . . no C27 H19 H17 129.7 . . . no C27 H19 H17 59.3 . . . no C27 H19 H18 146.3 . . . no C27 H19 H18 73.8 . . . no C27 H19 H20 147.0 . . . no C27 H19 H24 36.6 . . . no C27 H19 H27 68.7 . . . no C28 H19 C29 20.7 . . . no C28 H19 C30 37.0 . . . no C28 H19 H13 114.6 . . . no C28 H19 H14 58.6 . . . no C28 H19 H17 139.4 . . . no C28 H19 H17 77.4 . . . no C28 H19 H18 167.4 . . . no C28 H19 H18 94.7 . . . no C28 H19 H20 130.7 . . . no C28 H19 H24 56.3 . . . no C28 H19 H27 54.7 . . . no C29 H19 C30 20.1 . . . no C29 H19 H13 120.6 . . . no C29 H19 H14 69.9 . . . no C29 H19 H17 129.0 . . . no C29 H19 H17 97.8 . . . no C29 H19 H18 166.6 . . . no C29 H19 H18 108.7 . . . no C29 H19 H20 110.1 . . . no C29 H19 H24 69.4 . . . no C29 H19 H27 35.1 . . . no C30 H19 H13 137.4 . . . no C30 H19 H14 90.0 . . . no C30 H19 H17 108.9 . . . no C30 H19 H17 108.1 . . . no C30 H19 H18 146.7 . . . no C30 H19 H18 104.8 . . . no C30 H19 H20 97.4 . . . no C30 H19 H24 68.7 . . . no C30 H19 H27 19.1 . . . no H13 H19 H14 56.4 4_475 4_475 4_475 no H13 H19 H17 106.0 4_475 4_475 4_475 no H13 H19 H17 83.6 4_475 4_475 4_475 no H13 H19 H18 69.7 4_475 4_475 4_475 no H13 H19 H18 109.7 4_475 4_475 4_475 no H13 H19 H20 85.9 4_475 4_475 4_475 no H13 H19 H24 130.4 4_475 4_475 4_475 no H13 H19 H27 133.6 4_475 4_475 4_475 no H14 H19 H17 161.0 4_475 4_475 4_475 no H14 H19 H17 66.7 4_475 4_475 4_475 no H14 H19 H18 122.9 4_475 4_475 4_475 no H14 H19 H18 107.4 4_475 4_475 4_475 no H14 H19 H20 126.7 4_475 4_475 4_475 no H14 H19 H24 91.8 4_475 4_475 4_475 no H14 H19 H27 100.5 4_475 4_475 4_475 no H17 H19 H17 107.2 . . . no H17 H19 H18 38.2 . . . no H17 H19 H18 70.0 . . . no H17 H19 H20 51.2 . . . no H17 H19 H24 96.4 . . . no H17 H19 H27 97.3 . . . no H17 H19 H18 91.7 3_686 3_686 3_686 no H17 H19 H18 40.9 3_686 3_686 3_686 no H17 H19 H20 151.7 3_686 3_686 3_686 no H17 H19 H24 47.3 3_686 3_686 3_686 no H17 H19 H27 126.9 3_686 3_686 3_686 no H18 H19 H18 72.8 . . . no H18 H19 H20 60.0 . . . no H18 H19 H24 111.6 . . . no H18 H19 H27 131.9 . . . no H18 H19 H20 121.0 3_686 3_686 3_686 no H18 H19 H24 39.4 3_686 3_686 3_686 no H18 H19 H27 115.9 3_686 3_686 3_686 no H20 H19 H24 139.8 . . . no H20 H19 H27 78.3 . . . no H24 H19 H27 84.4 . . . no O2 H20 N3 108.4 4_475 4_475 4_475 no O2 H20 C15 111.2 4_475 4_475 4_475 no O2 H20 C16 131.2 4_475 4_475 4_475 no O2 H20 C20 85.7 4_475 4_475 4_475 no O2 H20 C21 61.5 4_475 4_475 4_475 no O2 H20 C23 91.3 4_475 4_475 4_475 no O2 H20 C25 132.4 4_475 4_475 4_475 no O2 H20 C25 46.9 4_475 4_475 4_475 no O2 H20 C26 60.1 4_475 4_475 4_475 no O2 H20 C27 85.8 4_475 4_475 4_475 no O2 H20 C28 99.0 4_475 4_475 4_475 no O2 H20 C29 83.7 4_475 4_475 4_475 no O2 H20 C30 151.5 4_475 4_475 4_475 no O2 H20 C30 60.2 4_475 4_475 4_475 no O2 H20 C31 123.1 4_475 4_475 4_475 no O2 H20 C36 134.8 4_475 4_475 4_475 no O2 H20 H13 96.4 4_475 4_475 4_475 no O2 H20 H14 133.0 4_475 4_475 4_475 no O2 H20 H17 40.2 4_475 4_475 4_475 no O2 H20 H18 64.1 4_475 4_475 4_475 no O2 H20 H19 123.5 4_475 4_475 4_475 no O2 H20 H22 61.7 4_475 4_475 4_475 no O2 H20 H23 50.5 4_475 4_475 4_475 no O2 H20 H24 55.8 4_475 4_475 4_475 no O2 H20 H24 39.4 4_475 4_475 4_475 no O2 H20 H25 96.1 4_475 4_475 4_475 no O2 H20 H26 93.0 4_475 4_475 4_475 no O2 H20 H27 146.6 4_475 4_475 4_475 no O2 H20 H32 127.7 4_475 4_475 4_475 no N3 H20 C15 118.1 . . . no N3 H20 C16 99.1 . . . no N3 H20 C20 23.2 . . . no N3 H20 C21 47.1 . . . no N3 H20 C23 49.7 . . . no N3 H20 C25 25.6 . . . no N3 H20 C25 119.3 . . . no N3 H20 C26 96.7 . . . no N3 H20 C27 90.7 . . . no N3 H20 C28 110.7 . . . no N3 H20 C29 136.7 . . . no N3 H20 C30 43.8 . . . no N3 H20 C30 140.2 . . . no N3 H20 C31 101.1 . . . no N3 H20 C36 107.5 . . . no N3 H20 H13 116.7 . . . no N3 H20 H14 82.7 . . . no N3 H20 H17 68.3 . . . no N3 H20 H18 81.1 . . . no N3 H20 H19 56.5 . . . no N3 H20 H22 140.1 . . . no N3 H20 H23 155.9 . . . no N3 H20 H24 84.5 . . . no N3 H20 H24 94.8 . . . no N3 H20 H25 73.0 . . . no N3 H20 H26 143.5 . . . no N3 H20 H27 51.0 . . . no N3 H20 H32 121.1 . . . no C15 H20 C16 21.9 4_475 4_475 4_475 no C15 H20 C20 125.5 4_475 4_475 4_475 no C15 H20 C21 139.6 4_475 4_475 4_475 no C15 H20 C23 83.8 4_475 4_475 4_475 no C15 H20 C25 96.3 4_475 4_475 4_475 no C15 H20 C25 122.6 4_475 4_475 4_475 no C15 H20 C26 144.3 4_475 4_475 4_475 no C15 H20 C27 136.9 4_475 4_475 4_475 no C15 H20 C28 107.7 4_475 4_475 4_475 no C15 H20 C29 93.5 4_475 4_475 4_475 no C15 H20 C30 92.2 4_475 4_475 4_475 no C15 H20 C30 100.9 4_475 4_475 4_475 no C15 H20 C31 94.9 4_475 4_475 4_475 no C15 H20 C36 73.6 4_475 4_475 4_475 no C15 H20 H13 18.0 4_475 4_475 4_475 no C15 H20 H14 35.8 4_475 4_475 4_475 no C15 H20 H17 134.7 4_475 4_475 4_475 no C15 H20 H18 75.9 4_475 4_475 4_475 no C15 H20 H19 62.2 4_475 4_475 4_475 no C15 H20 H22 49.8 4_475 4_475 4_475 no C15 H20 H23 68.9 4_475 4_475 4_475 no C15 H20 H24 157.3 4_475 4_475 4_475 no C15 H20 H24 87.4 4_475 4_475 4_475 no C15 H20 H25 143.0 4_475 4_475 4_475 no C15 H20 H26 78.3 4_475 4_475 4_475 no C15 H20 H27 102.2 4_475 4_475 4_475 no C15 H20 H32 60.0 4_475 4_475 4_475 no C16 H20 C20 112.3 4_475 4_475 4_475 no C16 H20 C21 134.2 4_475 4_475 4_475 no C16 H20 C23 76.6 4_475 4_475 4_475 no C16 H20 C25 75.4 4_475 4_475 4_475 no C16 H20 C25 140.6 4_475 4_475 4_475 no C16 H20 C26 154.8 4_475 4_475 4_475 no C16 H20 C27 134.2 4_475 4_475 4_475 no C16 H20 C28 108.0 4_475 4_475 4_475 no C16 H20 C29 103.1 4_475 4_475 4_475 no C16 H20 C30 70.4 4_475 4_475 4_475 no C16 H20 C30 117.0 4_475 4_475 4_475 no C16 H20 C31 88.4 4_475 4_475 4_475 no C16 H20 C36 67.1 4_475 4_475 4_475 no C16 H20 H13 34.8 4_475 4_475 4_475 no C16 H20 H14 17.5 4_475 4_475 4_475 no C16 H20 H17 141.2 4_475 4_475 4_475 no C16 H20 H18 82.0 4_475 4_475 4_475 no C16 H20 H19 46.9 4_475 4_475 4_475 no C16 H20 H22 71.2 4_475 4_475 4_475 no C16 H20 H23 90.7 4_475 4_475 4_475 no C16 H20 H24 169.2 4_475 4_475 4_475 no C16 H20 H24 100.2 4_475 4_475 4_475 no C16 H20 H25 130.8 4_475 4_475 4_475 no C16 H20 H26 87.4 4_475 4_475 4_475 no C16 H20 H27 81.5 4_475 4_475 4_475 no C16 H20 H32 58.5 4_475 4_475 4_475 no C20 H20 C21 25.8 . . . no C20 H20 C23 43.1 . . . no C20 H20 C25 47.0 . . . no C20 H20 C25 106.9 . . . no C20 H20 C26 89.6 . . . no C20 H20 C27 93.9 . . . no C20 H20 C28 120.6 . . . no C20 H20 C29 140.7 . . . no C20 H20 C30 67.0 . . . no C20 H20 C30 130.6 . . . no C20 H20 C31 119.0 . . . no C20 H20 C36 129.7 . . . no C20 H20 H13 116.3 . . . no C20 H20 H14 94.8 . . . no C20 H20 H17 46.1 . . . no C20 H20 H18 65.8 . . . no C20 H20 H19 65.5 . . . no C20 H20 H22 124.1 . . . no C20 H20 H23 133.1 . . . no C20 H20 H24 74.8 . . . no C20 H20 H24 73.9 . . . no C20 H20 H25 79.5 . . . no C20 H20 H26 154.8 . . . no C20 H20 H27 73.3 . . . no C20 H20 H32 144.1 . . . no C21 H20 C23 58.1 . . . no C21 H20 C25 72.2 . . . no C21 H20 C25 83.1 . . . no C21 H20 C26 70.4 . . . no C21 H20 C27 83.5 . . . no C21 H20 C28 112.6 . . . no C21 H20 C29 122.7 . . . no C21 H20 C30 90.1 . . . no C21 H20 C30 106.7 . . . no C21 H20 C31 123.1 . . . no C21 H20 C36 142.0 . . . no C21 H20 H13 124.0 . . . no C21 H20 H14 117.2 . . . no C21 H20 H17 21.4 . . . no C21 H20 H18 65.2 . . . no C21 H20 H19 88.1 . . . no C21 H20 H22 112.7 . . . no C21 H20 H23 111.5 . . . no C21 H20 H24 55.0 . . . no C21 H20 H24 61.7 . . . no C21 H20 H25 75.3 . . . no C21 H20 H26 138.4 . . . no C21 H20 H27 91.9 . . . no C21 H20 H32 158.1 . . . no C23 H20 C25 52.8 . . . no C23 H20 C25 134.8 . . . no C23 H20 C26 128.4 . . . no C23 H20 C27 136.9 . . . no C23 H20 C28 160.3 . . . no C23 H20 C29 173.0 . . . no C23 H20 C30 74.7 . . . no C23 H20 C30 151.0 . . . no C23 H20 C31 142.7 . . . no C23 H20 C36 133.3 . . . no C23 H20 H13 73.2 . . . no C23 H20 H14 60.8 . . . no C23 H20 H17 67.4 . . . no C23 H20 H18 34.8 . . . no C23 H20 H19 34.8 . . . no C23 H20 H22 90.6 . . . no C23 H20 H23 112.7 . . . no C23 H20 H24 113.0 . . . no C23 H20 H24 56.7 . . . no C23 H20 H25 121.3 . . . no C23 H20 H26 162.0 . . . no C23 H20 H27 90.7 . . . no C23 H20 H32 133.1 . . . no C25 H20 C25 139.5 . . . no C25 H20 C26 115.0 . . . no C25 H20 C27 100.2 . . . no C25 H20 C28 108.9 . . . no C25 H20 C29 134.1 . . . no C25 H20 C30 23.2 . . . no C25 H20 C30 151.9 . . . no C25 H20 C31 90.6 . . . no C25 H20 C36 89.2 . . . no C25 H20 H13 100.3 . . . no C25 H20 H14 60.6 . . . no C25 H20 H17 93.1 . . . no C25 H20 H18 87.5 . . . no C25 H20 H19 40.5 . . . no C25 H20 H22 135.3 . . . no C25 H20 H23 161.6 . . . no C25 H20 H24 106.0 . . . no C25 H20 H24 108.4 . . . no C25 H20 H25 82.0 . . . no C25 H20 H26 131.3 . . . no C25 H20 H27 37.9 . . . no C25 H20 H32 99.5 . . . no C25 H20 C26 24.6 4_475 4_475 4_475 no C25 H20 C27 44.3 4_475 4_475 4_475 no C25 H20 C28 52.1 4_475 4_475 4_475 no C25 H20 C29 42.4 4_475 4_475 4_475 no C25 H20 C30 132.1 4_475 4_475 4_475 no C25 H20 C30 23.8 4_475 4_475 4_475 no C25 H20 C31 76.3 4_475 4_475 4_475 no C25 H20 C36 91.3 4_475 4_475 4_475 no C25 H20 H13 120.1 4_475 4_475 4_475 no C25 H20 H14 157.8 4_475 4_475 4_475 no C25 H20 H17 68.5 4_475 4_475 4_475 no C25 H20 H18 110.9 4_475 4_475 4_475 no C25 H20 H19 169.6 4_475 4_475 4_475 no C25 H20 H22 83.5 4_475 4_475 4_475 no C25 H20 H23 58.1 4_475 4_475 4_475 no C25 H20 H24 34.7 4_475 4_475 4_475 no C25 H20 H24 86.1 4_475 4_475 4_475 no C25 H20 H25 60.6 4_475 4_475 4_475 no C25 H20 H26 56.7 4_475 4_475 4_475 no C25 H20 H27 114.7 4_475 4_475 4_475 no C25 H20 H32 91.6 4_475 4_475 4_475 no C26 H20 C27 25.8 4_475 4_475 4_475 no C26 H20 C28 47.5 4_475 4_475 4_475 no C26 H20 C29 52.6 4_475 4_475 4_475 no C26 H20 C30 109.6 4_475 4_475 4_475 no C26 H20 C30 43.7 4_475 4_475 4_475 no C26 H20 C31 69.2 4_475 4_475 4_475 no C26 H20 C36 89.4 4_475 4_475 4_475 no C26 H20 H13 144.7 4_475 4_475 4_475 no C26 H20 H14 166.4 4_475 4_475 4_475 no C26 H20 H17 63.5 4_475 4_475 4_475 no C26 H20 H18 120.0 4_475 4_475 4_475 no C26 H20 H19 153.2 4_475 4_475 4_475 no C26 H20 H22 107.8 4_475 4_475 4_475 no C26 H20 H23 82.7 4_475 4_475 4_475 no C26 H20 H24 15.4 4_475 4_475 4_475 no C26 H20 H24 97.9 4_475 4_475 4_475 no C26 H20 H25 38.1 4_475 4_475 4_475 no C26 H20 H26 68.3 4_475 4_475 4_475 no C26 H20 H27 93.4 4_475 4_475 4_475 no C26 H20 H32 96.4 4_475 4_475 4_475 no C27 H20 C28 29.1 4_475 4_475 4_475 no C27 H20 C29 47.7 4_475 4_475 4_475 no C27 H20 C30 87.9 4_475 4_475 4_475 no C27 H20 C30 52.5 4_475 4_475 4_475 no C27 H20 C31 45.7 4_475 4_475 4_475 no C27 H20 C36 67.2 4_475 4_475 4_475 no C27 H20 H13 149.8 4_475 4_475 4_475 no C27 H20 H14 140.7 4_475 4_475 4_475 no C27 H20 H17 84.0 4_475 4_475 4_475 no C27 H20 H18 143.9 4_475 4_475 4_475 no C27 H20 H19 140.1 4_475 4_475 4_475 no C27 H20 H22 124.4 4_475 4_475 4_475 no C27 H20 H23 98.2 4_475 4_475 4_475 no C27 H20 H24 35.2 4_475 4_475 4_475 no C27 H20 H24 123.6 4_475 4_475 4_475 no C27 H20 H25 18.4 4_475 4_475 4_475 no C27 H20 H26 60.9 4_475 4_475 4_475 no C27 H20 H27 70.4 4_475 4_475 4_475 no C27 H20 H32 78.0 4_475 4_475 4_475 no C28 H20 C29 26.6 4_475 4_475 4_475 no C28 H20 C30 88.7 4_475 4_475 4_475 no C28 H20 C30 44.4 4_475 4_475 4_475 no C28 H20 C31 24.2 4_475 4_475 4_475 no C28 H20 C36 42.1 4_475 4_475 4_475 no C28 H20 H13 121.8 4_475 4_475 4_475 no C28 H20 H14 120.0 4_475 4_475 4_475 no C28 H20 H17 110.8 4_475 4_475 4_475 no C28 H20 H18 162.3 4_475 4_475 4_475 no C28 H20 H19 137.4 4_475 4_475 4_475 no C28 H20 H22 109.1 4_475 4_475 4_475 no C28 H20 H23 86.7 4_475 4_475 4_475 no C28 H20 H24 61.2 4_475 4_475 4_475 no C28 H20 H24 137.6 4_475 4_475 4_475 no C28 H20 H25 41.1 4_475 4_475 4_475 no C28 H20 H26 34.8 4_475 4_475 4_475 no C28 H20 H27 71.5 4_475 4_475 4_475 no C28 H20 H32 49.8 4_475 4_475 4_475 no C29 H20 C30 112.0 4_475 4_475 4_475 no C29 H20 C30 23.5 4_475 4_475 4_475 no C29 H20 C31 43.8 4_475 4_475 4_475 no C29 H20 C36 51.2 4_475 4_475 4_475 no C29 H20 H13 102.4 4_475 4_475 4_475 no C29 H20 H14 119.7 4_475 4_475 4_475 no C29 H20 H17 110.9 4_475 4_475 4_475 no C29 H20 H18 138.3 4_475 4_475 4_475 no C29 H20 H19 147.7 4_475 4_475 4_475 no C29 H20 H22 82.7 4_475 4_475 4_475 no C29 H20 H23 60.3 4_475 4_475 4_475 no C29 H20 H24 68.0 4_475 4_475 4_475 no C29 H20 H24 116.8 4_475 4_475 4_475 no C29 H20 H25 64.3 4_475 4_475 4_475 no C29 H20 H26 15.7 4_475 4_475 4_475 no C29 H20 H27 96.2 4_475 4_475 4_475 no C29 H20 H32 49.1 4_475 4_475 4_475 no C30 H20 C30 133.1 . . . no C30 H20 C31 68.2 . . . no C30 H20 C36 66.2 . . . no C30 H20 H13 102.8 . . . no C30 H20 H14 60.9 . . . no C30 H20 H17 111.5 . . . no C30 H20 H18 108.7 . . . no C30 H20 H19 53.0 . . . no C30 H20 H22 141.0 . . . no C30 H20 H23 158.0 . . . no C30 H20 H24 106.6 . . . no C30 H20 H24 131.2 . . . no C30 H20 H25 71.8 . . . no C30 H20 H26 108.1 . . . no C30 H20 H27 17.9 . . . no C30 H20 H32 77.8 . . . no C30 H20 C31 65.9 4_475 4_475 4_475 no C30 H20 C36 74.7 4_475 4_475 4_475 no C30 H20 H13 102.9 4_475 4_475 4_475 no C30 H20 H14 134.5 4_475 4_475 4_475 no C30 H20 H17 90.5 4_475 4_475 4_475 no C30 H20 H18 118.2 4_475 4_475 4_475 no C30 H20 H19 163.1 4_475 4_475 4_475 no C30 H20 H22 72.0 4_475 4_475 4_475 no C30 H20 H23 46.0 4_475 4_475 4_475 no C30 H20 H24 57.0 4_475 4_475 4_475 no C30 H20 H24 94.6 4_475 4_475 4_475 no C30 H20 H25 70.9 4_475 4_475 4_475 no C30 H20 H26 34.8 4_475 4_475 4_475 no C30 H20 H27 115.8 4_475 4_475 4_475 no C30 H20 H32 70.8 4_475 4_475 4_475 no C31 H20 C36 21.7 4_475 4_475 4_475 no C31 H20 H13 112.2 4_475 4_475 4_475 no C31 H20 H14 97.5 4_475 4_475 4_475 no C31 H20 H17 129.3 4_475 4_475 4_475 no C31 H20 H18 170.4 4_475 4_475 4_475 no C31 H20 H19 113.3 4_475 4_475 4_475 no C31 H20 H22 116.8 4_475 4_475 4_475 no C31 H20 H23 101.2 4_475 4_475 4_475 no C31 H20 H24 80.8 4_475 4_475 4_475 no C31 H20 H24 160.5 4_475 4_475 4_475 no C31 H20 H25 48.3 4_475 4_475 4_475 no C31 H20 H26 42.9 4_475 4_475 4_475 no C31 H20 H27 53.1 4_475 4_475 4_475 no C31 H20 H32 35.4 4_475 4_475 4_475 no C36 H20 H13 91.2 4_475 4_475 4_475 no C36 H20 H14 78.0 4_475 4_475 4_475 no C36 H20 H17 151.0 4_475 4_475 4_475 no C36 H20 H18 148.8 4_475 4_475 4_475 no C36 H20 H19 99.0 4_475 4_475 4_475 no C36 H20 H22 103.9 4_475 4_475 4_475 no C36 H20 H23 96.6 4_475 4_475 4_475 no C36 H20 H24 102.0 4_475 4_475 4_475 no C36 H20 H24 155.6 4_475 4_475 4_475 no C36 H20 H25 69.4 4_475 4_475 4_475 no C36 H20 H26 42.5 4_475 4_475 4_475 no C36 H20 H27 56.5 4_475 4_475 4_475 no C36 H20 H32 16.4 4_475 4_475 4_475 no H13 H20 H14 42.1 4_475 4_475 4_475 no H13 H20 H17 116.7 4_475 4_475 4_475 no H13 H20 H18 59.0 4_475 4_475 4_475 no H13 H20 H19 61.1 4_475 4_475 4_475 no H13 H20 H22 38.3 4_475 4_475 4_475 no H13 H20 H23 62.2 4_475 4_475 4_475 no H13 H20 H24 150.5 4_475 4_475 4_475 no H13 H20 H24 69.5 4_475 4_475 4_475 no H13 H20 H25 160.5 4_475 4_475 4_475 no H13 H20 H26 88.9 4_475 4_475 4_475 no H13 H20 H27 116.0 4_475 4_475 4_475 no H13 H20 H32 76.9 4_475 4_475 4_475 no H14 H20 H17 127.8 4_475 4_475 4_475 no H14 H20 H18 73.4 4_475 4_475 4_475 no H14 H20 H19 29.4 4_475 4_475 4_475 no H14 H20 H22 80.3 4_475 4_475 4_475 no H14 H20 H23 103.4 4_475 4_475 4_475 no H14 H20 H24 166.6 4_475 4_475 4_475 no H14 H20 H24 95.7 4_475 4_475 4_475 no H14 H20 H25 130.3 4_475 4_475 4_475 no H14 H20 H26 104.2 4_475 4_475 4_475 no H14 H20 H27 75.6 4_475 4_475 4_475 no H14 H20 H32 72.7 4_475 4_475 4_475 no H17 H20 H18 60.3 . . . no H17 H20 H19 101.4 . . . no H17 H20 H22 94.7 . . . no H17 H20 H23 90.3 . . . no H17 H20 H24 49.6 . . . no H17 H20 H24 47.7 . . . no H17 H20 H25 82.2 . . . no H17 H20 H26 125.1 . . . no H17 H20 H27 111.9 . . . no H17 H20 H32 159.5 . . . no H18 H20 H19 60.0 . . . no H18 H20 H22 59.4 . . . no H18 H20 H23 78.5 . . . no H18 H20 H24 108.7 . . . no H18 H20 H24 24.9 . . . no H18 H20 H25 140.4 . . . no H18 H20 H26 135.4 . . . no H18 H20 H27 125.4 . . . no H18 H20 H32 135.9 . . . no H19 H20 H22 94.9 . . . no H19 H20 H23 121.1 . . . no H19 H20 H24 139.9 . . . no H19 H20 H24 84.9 . . . no H19 H20 H25 122.3 . . . no H19 H20 H26 132.9 . . . no H19 H20 H27 71.0 . . . no H19 H20 H32 98.7 . . . no H22 H20 H23 26.2 2_556 2_556 2_556 no H22 H20 H24 112.4 2_556 2_556 2_556 no H22 H20 H24 51.7 2_556 2_556 2_556 no H22 H20 H25 142.7 2_556 2_556 2_556 no H22 H20 H26 76.1 2_556 2_556 2_556 no H22 H20 H27 151.6 2_556 2_556 2_556 no H22 H20 H32 87.6 2_556 2_556 2_556 no H23 H20 H24 90.0 2_556 2_556 2_556 no H23 H20 H24 61.6 2_556 2_556 2_556 no H23 H20 H25 116.4 2_556 2_556 2_556 no H23 H20 H26 58.3 2_556 2_556 2_556 no H23 H20 H27 153.0 2_556 2_556 2_556 no H23 H20 H32 82.8 2_556 2_556 2_556 no H24 H20 H24 89.6 4_475 4_475 4_475 no H24 H20 H25 40.5 4_475 4_475 4_475 no H24 H20 H26 83.7 4_475 4_475 4_475 no H24 H20 H27 93.1 4_475 4_475 4_475 no H24 H20 H32 110.9 4_475 4_475 4_475 no H24 H20 H25 128.4 3_686 3_686 3_686 no H24 H20 H26 119.5 3_686 3_686 3_686 no H24 H20 H27 145.2 3_686 3_686 3_686 no H24 H20 H32 139.3 3_686 3_686 3_686 no H25 H20 H26 75.6 4_475 4_475 4_475 no H25 H20 H27 55.3 4_475 4_475 4_475 no H25 H20 H32 83.6 4_475 4_475 4_475 no H26 H20 H27 95.3 4_475 4_475 4_475 no H26 H20 H32 36.1 4_475 4_475 4_475 no H27 H20 H32 71.0 . . . no N4 H21 C14 91.1 . . . no N4 H21 C14 149.3 . . . no N4 H21 C15 86.7 . . . no N4 H21 C16 104.8 . . . no N4 H21 C17 123.1 . . . no N4 H21 C21 48.1 . . . no N4 H21 C22 27.5 . . . no N4 H21 C24 60.4 . . . no N4 H21 C30 74.4 . . . no N4 H21 C32 79.7 . . . no N4 H21 C33 103.4 . . . no N4 H21 H12 158.2 . . . no N4 H21 H13 66.8 . . . no N4 H21 H13 118.1 . . . no N4 H21 H14 100.1 . . . no N4 H21 H17 66.3 . . . no N4 H21 H22 91.5 . . . no N4 H21 H23 67.5 . . . no N4 H21 H27 69.5 . . . no N4 H21 H28 67.7 . . . no N4 H21 H29 117.9 . . . no C14 H21 C14 119.5 2_656 2_656 2_656 no C14 H21 C15 17.4 2_656 2_656 2_656 no C14 H21 C16 37.7 2_656 2_656 2_656 no C14 H21 C17 41.8 2_656 2_656 2_656 no C14 H21 C21 108.4 2_656 2_656 2_656 no C14 H21 C22 106.8 2_656 2_656 2_656 no C14 H21 C24 148.6 2_656 2_656 2_656 no C14 H21 C30 121.8 2_656 2_656 2_656 no C14 H21 C32 58.2 2_656 2_656 2_656 no C14 H21 C33 60.0 2_656 2_656 2_656 no C14 H21 H12 110.3 2_656 2_656 2_656 no C14 H21 H13 32.0 2_656 2_656 2_656 no C14 H21 H13 147.2 2_656 2_656 2_656 no C14 H21 H14 57.7 2_656 2_656 2_656 no C14 H21 H17 116.7 2_656 2_656 2_656 no C14 H21 H22 148.4 2_656 2_656 2_656 no C14 H21 H23 147.6 2_656 2_656 2_656 no C14 H21 H27 109.1 2_656 2_656 2_656 no C14 H21 H28 48.2 2_656 2_656 2_656 no C14 H21 H29 52.0 2_656 2_656 2_656 no C14 H21 C15 122.7 3_676 3_676 3_676 no C14 H21 C16 100.9 3_676 3_676 3_676 no C14 H21 C17 84.9 3_676 3_676 3_676 no C14 H21 C21 115.4 3_676 3_676 3_676 no C14 H21 C22 129.0 3_676 3_676 3_676 no C14 H21 C24 89.8 3_676 3_676 3_676 no C14 H21 C30 87.4 3_676 3_676 3_676 no C14 H21 C32 114.4 3_676 3_676 3_676 no C14 H21 C33 92.4 3_676 3_676 3_676 no C14 H21 H12 10.2 3_676 3_676 3_676 no C14 H21 H13 141.3 3_676 3_676 3_676 no C14 H21 H13 33.3 3_676 3_676 3_676 no C14 H21 H14 97.5 3_676 3_676 3_676 no C14 H21 H17 97.5 3_676 3_676 3_676 no C14 H21 H22 63.3 3_676 3_676 3_676 no C14 H21 H23 84.1 3_676 3_676 3_676 no C14 H21 H27 97.2 3_676 3_676 3_676 no C14 H21 H28 131.4 3_676 3_676 3_676 no C14 H21 H29 84.2 3_676 3_676 3_676 no C15 H21 C16 25.9 2_656 2_656 2_656 no C15 H21 C17 38.1 2_656 2_656 2_656 no C15 H21 C21 93.2 2_656 2_656 2_656 no C15 H21 C22 95.8 2_656 2_656 2_656 no C15 H21 C24 135.8 2_656 2_656 2_656 no C15 H21 C30 135.8 2_656 2_656 2_656 no C15 H21 C32 73.8 2_656 2_656 2_656 no C15 H21 C33 77.4 2_656 2_656 2_656 no C15 H21 H12 112.6 2_656 2_656 2_656 no C15 H21 H13 20.4 2_656 2_656 2_656 no C15 H21 H13 140.5 2_656 2_656 2_656 no C15 H21 H14 42.5 2_656 2_656 2_656 no C15 H21 H17 99.6 2_656 2_656 2_656 no C15 H21 H22 131.7 2_656 2_656 2_656 no C15 H21 H23 153.0 2_656 2_656 2_656 no C15 H21 H27 122.7 2_656 2_656 2_656 no C15 H21 H28 61.2 2_656 2_656 2_656 no C15 H21 H29 68.4 2_656 2_656 2_656 no C16 H21 C17 19.2 2_656 2_656 2_656 no C16 H21 C21 91.6 2_656 2_656 2_656 no C16 H21 C22 103.3 2_656 2_656 2_656 no C16 H21 C24 132.1 2_656 2_656 2_656 no C16 H21 C30 159.0 2_656 2_656 2_656 no C16 H21 C32 95.4 2_656 2_656 2_656 no C16 H21 C33 91.2 2_656 2_656 2_656 no C16 H21 H12 90.7 2_656 2_656 2_656 no C16 H21 H13 40.5 2_656 2_656 2_656 no C16 H21 H13 114.6 2_656 2_656 2_656 no C16 H21 H14 21.8 2_656 2_656 2_656 no C16 H21 H17 90.0 2_656 2_656 2_656 no C16 H21 H22 111.7 2_656 2_656 2_656 no C16 H21 H23 167.4 2_656 2_656 2_656 no C16 H21 H27 146.8 2_656 2_656 2_656 no C16 H21 H28 85.6 2_656 2_656 2_656 no C16 H21 H29 76.3 2_656 2_656 2_656 no C17 H21 C21 108.2 2_656 2_656 2_656 no C17 H21 C22 122.2 2_656 2_656 2_656 no C17 H21 C24 143.4 2_656 2_656 2_656 no C17 H21 C30 148.9 2_656 2_656 2_656 no C17 H21 C32 92.4 2_656 2_656 2_656 no C17 H21 C33 81.2 2_656 2_656 2_656 no C17 H21 H12 74.7 2_656 2_656 2_656 no C17 H21 H13 56.8 2_656 2_656 2_656 no C17 H21 H13 105.8 2_656 2_656 2_656 no C17 H21 H14 34.9 2_656 2_656 2_656 no C17 H21 H17 102.7 2_656 2_656 2_656 no C17 H21 H22 113.6 2_656 2_656 2_656 no C17 H21 H23 168.9 2_656 2_656 2_656 no C17 H21 H27 141.4 2_656 2_656 2_656 no C17 H21 H28 88.2 2_656 2_656 2_656 no C17 H21 H29 63.8 2_656 2_656 2_656 no C21 H21 C22 21.8 . . . no C21 H21 C24 43.2 . . . no C21 H21 C30 102.3 . . . no C21 H21 C32 127.2 . . . no C21 H21 C33 150.9 . . . no C21 H21 H12 117.7 . . . no C21 H21 H13 76.6 . . . no C21 H21 H13 84.1 . . . no C21 H21 H14 73.5 . . . no C21 H21 H17 18.7 . . . no C21 H21 H22 53.4 . . . no C21 H21 H23 75.9 . . . no C21 H21 H27 105.5 . . . no C21 H21 H28 112.5 . . . no C21 H21 H29 158.9 . . . no C22 H21 C24 41.8 . . . no C22 H21 C30 85.5 . . . no C22 H21 C32 107.1 . . . no C22 H21 C33 130.7 . . . no C22 H21 H12 134.4 . . . no C22 H21 H13 76.0 . . . no C22 H21 H13 95.7 . . . no C22 H21 H14 89.5 . . . no C22 H21 H17 39.2 . . . no C22 H21 H22 66.2 . . . no C22 H21 H23 65.1 . . . no C22 H21 H27 86.1 . . . no C22 H21 H28 94.8 . . . no C22 H21 H29 145.0 . . . no C24 H21 C30 66.4 . . . no C24 H21 C32 122.4 . . . no C24 H21 C33 135.2 . . . no C24 H21 H12 97.8 . . . no C24 H21 H13 117.2 . . . no C24 H21 H13 57.7 . . . no C24 H21 H14 111.1 . . . no C24 H21 H17 42.2 . . . no C24 H21 H22 35.2 . . . no C24 H21 H23 35.6 . . . no C24 H21 H27 75.1 . . . no C24 H21 H28 121.0 . . . no C24 H21 H29 151.5 . . . no C30 H21 C32 63.7 3_676 3_676 3_676 no C30 H21 C33 69.1 3_676 3_676 3_676 no C30 H21 H12 96.5 3_676 3_676 3_676 no C30 H21 H13 127.6 3_676 3_676 3_676 no C30 H21 H13 82.8 3_676 3_676 3_676 no C30 H21 H14 174.5 3_676 3_676 3_676 no C30 H21 H17 108.1 3_676 3_676 3_676 no C30 H21 H22 89.2 3_676 3_676 3_676 no C30 H21 H23 31.2 3_676 3_676 3_676 no C30 H21 H27 13.0 3_676 3_676 3_676 no C30 H21 H28 74.6 3_676 3_676 3_676 no C30 H21 H29 85.6 3_676 3_676 3_676 no C32 H21 C33 23.8 2_646 2_646 2_646 no C32 H21 H12 114.5 2_646 2_646 2_646 no C32 H21 H13 75.6 2_646 2_646 2_646 no C32 H21 H13 136.9 2_646 2_646 2_646 no C32 H21 H14 115.8 2_646 2_646 2_646 no C32 H21 H17 145.8 2_646 2_646 2_646 no C32 H21 H22 152.9 2_646 2_646 2_646 no C32 H21 H23 93.0 2_646 2_646 2_646 no C32 H21 H27 51.6 2_646 2_646 2_646 no C32 H21 H28 18.0 2_646 2_646 2_646 no C32 H21 H29 39.6 2_646 2_646 2_646 no C33 H21 H12 91.2 2_646 2_646 2_646 no C33 H21 H13 87.0 2_646 2_646 2_646 no C33 H21 H13 120.6 2_646 2_646 2_646 no C33 H21 H14 112.9 2_646 2_646 2_646 no C33 H21 H17 169.6 2_646 2_646 2_646 no C33 H21 H22 148.6 2_646 2_646 2_646 no C33 H21 H23 100.2 2_646 2_646 2_646 no C33 H21 H27 60.2 2_646 2_646 2_646 no C33 H21 H28 39.0 2_646 2_646 2_646 no C33 H21 H29 18.7 2_646 2_646 2_646 no H12 H21 H13 131.1 3_676 3_676 3_676 no H12 H21 H13 40.2 3_676 3_676 3_676 no H12 H21 H14 88.6 3_676 3_676 3_676 no H12 H21 H17 99.1 3_676 3_676 3_676 no H12 H21 H22 68.3 3_676 3_676 3_676 no H12 H21 H23 94.3 3_676 3_676 3_676 no H12 H21 H27 105.4 3_676 3_676 3_676 no H12 H21 H28 129.8 3_676 3_676 3_676 no H12 H21 H29 80.2 3_676 3_676 3_676 no H13 H21 H13 146.7 2_656 2_656 2_656 no H13 H21 H14 48.5 2_656 2_656 2_656 no H13 H21 H17 87.2 2_656 2_656 2_656 no H13 H21 H22 124.4 2_656 2_656 2_656 no H13 H21 H23 134.1 2_656 2_656 2_656 no H13 H21 H27 115.5 2_656 2_656 2_656 no H13 H21 H28 59.0 2_656 2_656 2_656 no H13 H21 H29 83.0 2_656 2_656 2_656 no H13 H21 H14 100.0 3_676 3_676 3_676 no H13 H21 H17 68.0 3_676 3_676 3_676 no H13 H21 H22 30.8 3_676 3_676 3_676 no H13 H21 H23 63.9 3_676 3_676 3_676 no H13 H21 H27 95.6 3_676 3_676 3_676 no H13 H21 H28 154.2 3_676 3_676 3_676 no H13 H21 H29 116.5 3_676 3_676 3_676 no H14 H21 H17 68.9 2_656 2_656 2_656 no H14 H21 H22 90.9 2_656 2_656 2_656 no H14 H21 H23 146.7 2_656 2_656 2_656 no H14 H21 H27 164.1 2_656 2_656 2_656 no H14 H21 H28 103.6 2_656 2_656 2_656 no H14 H21 H29 97.3 2_656 2_656 2_656 no H17 H21 H22 38.2 . . . no H17 H21 H23 77.8 . . . no H17 H21 H27 115.1 . . . no H17 H21 H28 130.9 . . . no H17 H21 H29 166.2 . . . no H22 H21 H23 60.0 . . . no H22 H21 H27 101.3 . . . no H22 H21 H28 156.2 . . . no H22 H21 H29 147.3 . . . no H23 H21 H27 41.8 . . . no H23 H21 H28 99.9 . . . no H23 H21 H29 115.9 . . . no H27 H21 H28 61.7 3_676 3_676 3_676 no H27 H21 H29 78.1 3_676 3_676 3_676 no H28 H21 H29 50.3 2_646 2_646 2_646 no O2 H22 O2 92.9 4_475 4_475 4_475 no O2 H22 N4 104.1 4_475 4_475 4_475 no O2 H22 C14 115.3 4_475 4_475 4_475 no O2 H22 C15 99.0 4_475 4_475 4_475 no O2 H22 C16 102.6 4_475 4_475 4_475 no O2 H22 C19 18.4 4_475 4_475 4_475 no O2 H22 C20 60.0 4_475 4_475 4_475 no O2 H22 C21 57.9 4_475 4_475 4_475 no O2 H22 C22 91.6 4_475 4_475 4_475 no O2 H22 C24 132.4 4_475 4_475 4_475 no O2 H22 H12 121.3 4_475 4_475 4_475 no O2 H22 H13 84.3 4_475 4_475 4_475 no O2 H22 H14 88.2 4_475 4_475 4_475 no O2 H22 H17 32.5 4_475 4_475 4_475 no O2 H22 H18 79.1 4_475 4_475 4_475 no O2 H22 H20 105.2 4_475 4_475 4_475 no O2 H22 H21 141.1 4_475 4_475 4_475 no O2 H22 H23 138.9 4_475 4_475 4_475 no O2 H22 H24 55.2 4_475 4_475 4_475 no O2 H22 H25 40.5 4_475 4_475 4_475 no O2 H22 H28 71.7 4_475 4_475 4_475 no O2 H22 N4 57.1 3_676 3_676 3_676 no O2 H22 C14 123.3 3_676 3_676 3_676 no O2 H22 C15 108.5 3_676 3_676 3_676 no O2 H22 C16 133.3 3_676 3_676 3_676 no O2 H22 C19 90.6 3_676 3_676 3_676 no O2 H22 C20 68.0 3_676 3_676 3_676 no O2 H22 C21 70.0 3_676 3_676 3_676 no O2 H22 C22 59.8 3_676 3_676 3_676 no O2 H22 C24 65.7 3_676 3_676 3_676 no O2 H22 H12 134.1 3_676 3_676 3_676 no O2 H22 H13 101.2 3_676 3_676 3_676 no O2 H22 H14 135.9 3_676 3_676 3_676 no O2 H22 H17 81.9 3_676 3_676 3_676 no O2 H22 H18 49.4 3_676 3_676 3_676 no O2 H22 H20 51.3 3_676 3_676 3_676 no O2 H22 H21 100.3 3_676 3_676 3_676 no O2 H22 H23 46.6 3_676 3_676 3_676 no O2 H22 H24 39.5 3_676 3_676 3_676 no O2 H22 H25 133.2 3_676 3_676 3_676 no O2 H22 H28 153.4 3_676 3_676 3_676 no N4 H22 C14 140.2 . . . no N4 H22 C15 153.0 . . . no N4 H22 C16 76.4 . . . no N4 H22 C19 117.8 . . . no N4 H22 C20 44.5 . . . no N4 H22 C21 46.8 . . . no N4 H22 C22 12.9 . . . no N4 H22 C24 28.3 . . . no N4 H22 H12 128.8 . . . no N4 H22 H13 156.5 . . . no N4 H22 H14 79.9 . . . no N4 H22 H17 72.5 . . . no N4 H22 H18 106.5 . . . no N4 H22 H20 102.4 . . . no N4 H22 H21 56.5 . . . no N4 H22 H23 52.7 . . . no N4 H22 H24 81.7 . . . no N4 H22 H25 124.6 . . . no N4 H22 H28 146.6 . . . no C14 H22 C15 25.0 3_676 3_676 3_676 no C14 H22 C16 89.2 3_676 3_676 3_676 no C14 H22 C19 101.9 3_676 3_676 3_676 no C14 H22 C20 168.7 3_676 3_676 3_676 no C14 H22 C21 166.5 3_676 3_676 3_676 no C14 H22 C22 151.7 3_676 3_676 3_676 no C14 H22 C24 111.9 3_676 3_676 3_676 no C14 H22 H12 17.5 3_676 3_676 3_676 no C14 H22 H13 41.4 3_676 3_676 3_676 no C14 H22 H14 95.3 3_676 3_676 3_676 no C14 H22 H17 145.0 3_676 3_676 3_676 no C14 H22 H18 87.1 3_676 3_676 3_676 no C14 H22 H20 73.5 3_676 3_676 3_676 no C14 H22 H21 87.5 3_676 3_676 3_676 no C14 H22 H23 96.6 3_676 3_676 3_676 no C14 H22 H24 125.4 3_676 3_676 3_676 no C14 H22 H25 85.6 3_676 3_676 3_676 no C14 H22 H28 51.8 3_676 3_676 3_676 no C15 H22 C16 112.0 3_676 3_676 3_676 no C15 H22 C19 82.4 3_676 3_676 3_676 no C15 H22 C20 157.6 3_676 3_676 3_676 no C15 H22 C21 156.1 3_676 3_676 3_676 no C15 H22 C22 164.8 3_676 3_676 3_676 no C15 H22 C24 127.5 3_676 3_676 3_676 no C15 H22 H12 42.2 3_676 3_676 3_676 no C15 H22 H13 16.9 3_676 3_676 3_676 no C15 H22 H14 114.9 3_676 3_676 3_676 no C15 H22 H17 131.5 3_676 3_676 3_676 no C15 H22 H18 64.3 3_676 3_676 3_676 no C15 H22 H20 57.5 3_676 3_676 3_676 no C15 H22 H21 110.9 3_676 3_676 3_676 no C15 H22 H23 100.4 3_676 3_676 3_676 no C15 H22 H24 100.7 3_676 3_676 3_676 no C15 H22 H25 82.3 3_676 3_676 3_676 no C15 H22 H28 55.3 3_676 3_676 3_676 no C16 H22 C19 116.6 2_656 2_656 2_656 no C16 H22 C20 82.3 2_656 2_656 2_656 no C16 H22 C21 81.6 2_656 2_656 2_656 no C16 H22 C22 75.8 2_656 2_656 2_656 no C16 H22 C24 71.5 2_656 2_656 2_656 no C16 H22 H12 72.1 2_656 2_656 2_656 no C16 H22 H13 123.8 2_656 2_656 2_656 no C16 H22 H14 14.4 2_656 2_656 2_656 no C16 H22 H17 88.2 2_656 2_656 2_656 no C16 H22 H18 176.3 2_656 2_656 2_656 no C16 H22 H20 151.5 2_656 2_656 2_656 no C16 H22 H21 43.6 2_656 2_656 2_656 no C16 H22 H23 103.0 2_656 2_656 2_656 no C16 H22 H24 143.5 2_656 2_656 2_656 no C16 H22 H25 75.3 2_656 2_656 2_656 no C16 H22 H28 72.5 2_656 2_656 2_656 no C19 H22 C20 75.6 4_475 4_475 4_475 no C19 H22 C21 73.8 4_475 4_475 4_475 no C19 H22 C22 106.2 4_475 4_475 4_475 no C19 H22 C24 145.5 4_475 4_475 4_475 no C19 H22 H12 112.2 4_475 4_475 4_475 no C19 H22 H13 66.8 4_475 4_475 4_475 no C19 H22 H14 102.4 4_475 4_475 4_475 no C19 H22 H17 49.5 4_475 4_475 4_475 no C19 H22 H18 64.4 4_475 4_475 4_475 no C19 H22 H20 89.5 4_475 4_475 4_475 no C19 H22 H21 158.6 4_475 4_475 4_475 no C19 H22 H23 136.1 4_475 4_475 4_475 no C19 H22 H24 51.2 4_475 4_475 4_475 no C19 H22 H25 44.6 4_475 4_475 4_475 no C19 H22 H28 67.8 4_475 4_475 4_475 no C20 H22 C21 2.6 . . . no C20 H22 C22 31.7 . . . no C20 H22 C24 72.5 . . . no C20 H22 H12 154.0 . . . no C20 H22 H13 140.9 . . . no C20 H22 H14 74.7 . . . no C20 H22 H17 28.0 . . . no C20 H22 H18 101.4 . . . no C20 H22 H20 117.2 . . . no C20 H22 H21 91.4 . . . no C20 H22 H23 92.6 . . . no C20 H22 H24 61.8 . . . no C20 H22 H25 85.1 . . . no C20 H22 H28 118.0 . . . no C21 H22 C22 34.0 . . . no C21 H22 C24 74.6 . . . no C21 H22 H12 152.9 . . . no C21 H22 H13 139.6 . . . no C21 H22 H14 73.6 . . . no C21 H22 H17 25.7 . . . no C21 H22 H18 102.1 . . . no C21 H22 H20 118.8 . . . no C21 H22 H21 92.6 . . . no C21 H22 H23 95.1 . . . no C21 H22 H24 62.2 . . . no C21 H22 H25 82.5 . . . no C21 H22 H28 115.4 . . . no C22 H22 C24 40.8 . . . no C22 H22 H12 137.8 . . . no C22 H22 H13 160.5 . . . no C22 H22 H14 76.0 . . . no C22 H22 H17 59.7 . . . no C22 H22 H18 107.6 . . . no C22 H22 H20 109.2 . . . no C22 H22 H21 65.0 . . . no C22 H22 H23 64.6 . . . no C22 H22 H24 76.5 . . . no C22 H22 H25 112.7 . . . no C22 H22 H28 139.4 . . . no C24 H22 H12 102.2 . . . no C24 H22 H13 139.4 . . . no C24 H22 H14 81.3 . . . no C24 H22 H17 100.3 . . . no C24 H22 H18 109.8 . . . no C24 H22 H20 93.7 . . . no C24 H22 H21 35.3 . . . no C24 H22 H23 35.6 . . . no C24 H22 H24 101.2 . . . no C24 H22 H25 141.9 . . . no C24 H22 H28 140.4 . . . no H12 H22 H13 58.0 3_676 3_676 3_676 no H12 H22 H14 79.3 3_676 3_676 3_676 no H12 H22 H17 143.2 3_676 3_676 3_676 no H12 H22 H18 104.2 3_676 3_676 3_676 no H12 H22 H20 88.2 3_676 3_676 3_676 no H12 H22 H21 72.9 3_676 3_676 3_676 no H12 H22 H23 96.9 3_676 3_676 3_676 no H12 H22 H24 142.8 3_676 3_676 3_676 no H12 H22 H25 84.6 3_676 3_676 3_676 no H12 H22 H28 50.6 3_676 3_676 3_676 no H13 H22 H14 122.8 3_676 3_676 3_676 no H13 H22 H17 116.3 3_676 3_676 3_676 no H13 H22 H18 52.9 3_676 3_676 3_676 no H13 H22 H20 54.1 3_676 3_676 3_676 no H13 H22 H21 127.7 3_676 3_676 3_676 no H13 H22 H23 106.9 3_676 3_676 3_676 no H13 H22 H24 85.6 3_676 3_676 3_676 no H13 H22 H25 75.9 3_676 3_676 3_676 no H13 H22 H28 56.8 3_676 3_676 3_676 no H14 H22 H17 75.7 2_656 2_656 2_656 no H14 H22 H18 166.8 2_656 2_656 2_656 no H14 H22 H20 165.2 2_656 2_656 2_656 no H14 H22 H21 57.1 2_656 2_656 2_656 no H14 H22 H23 115.1 2_656 2_656 2_656 no H14 H22 H24 132.8 2_656 2_656 2_656 no H14 H22 H25 62.9 2_656 2_656 2_656 no H14 H22 H28 67.0 2_656 2_656 2_656 no H17 H22 H18 94.9 . . . no H17 H22 H20 119.0 . . . no H17 H22 H21 113.5 . . . no H17 H22 H23 118.0 . . . no H17 H22 H24 57.3 . . . no H17 H22 H25 60.0 . . . no H17 H22 H28 94.4 . . . no H18 H22 H20 26.3 2_546 2_546 2_546 no H18 H22 H21 136.0 2_546 2_546 2_546 no H18 H22 H23 77.4 2_546 2_546 2_546 no H18 H22 H24 40.0 2_546 2_546 2_546 no H18 H22 H25 104.5 2_546 2_546 2_546 no H18 H22 H28 105.2 2_546 2_546 2_546 no H20 H22 H21 111.7 2_546 2_546 2_546 no H20 H22 H23 58.3 2_546 2_546 2_546 no H20 H22 H24 61.8 2_546 2_546 2_546 no H20 H22 H25 124.2 2_546 2_546 2_546 no H20 H22 H28 110.8 2_546 2_546 2_546 no H21 H22 H23 60.0 . . . no H21 H22 H24 136.3 . . . no H21 H22 H25 118.5 . . . no H21 H22 H28 105.3 . . . no H23 H22 H24 85.7 . . . no H23 H22 H25 177.2 . . . no H23 H22 H28 147.4 . . . no H24 H22 H25 94.4 4_475 4_475 4_475 no H24 H22 H28 117.6 4_475 4_475 4_475 no H25 H22 H28 34.4 3_686 3_686 3_686 no O2 H23 N3 39.1 3_676 3_676 3_676 no O2 H23 N4 76.3 3_676 3_676 3_676 no O2 H23 C14 132.9 3_676 3_676 3_676 no O2 H23 C15 112.4 3_676 3_676 3_676 no O2 H23 C19 69.3 3_676 3_676 3_676 no O2 H23 C19 20.1 3_676 3_676 3_676 no O2 H23 C21 76.3 3_676 3_676 3_676 no O2 H23 C22 80.8 3_676 3_676 3_676 no O2 H23 C23 60.5 3_676 3_676 3_676 no O2 H23 C24 115.6 3_676 3_676 3_676 no O2 H23 C25 51.1 3_676 3_676 3_676 no O2 H23 C29 89.1 3_676 3_676 3_676 no O2 H23 C30 75.1 3_676 3_676 3_676 no O2 H23 C33 141.8 3_676 3_676 3_676 no O2 H23 H12 144.8 3_676 3_676 3_676 no O2 H23 H13 102.0 3_676 3_676 3_676 no O2 H23 H17 80.6 3_676 3_676 3_676 no O2 H23 H18 55.9 3_676 3_676 3_676 no O2 H23 H20 64.2 3_676 3_676 3_676 no O2 H23 H21 146.5 3_676 3_676 3_676 no O2 H23 H22 107.0 3_676 3_676 3_676 no O2 H23 H24 41.4 3_676 3_676 3_676 no O2 H23 H25 87.6 3_676 3_676 3_676 no O2 H23 H26 107.5 3_676 3_676 3_676 no O2 H23 H27 88.5 3_676 3_676 3_676 no O2 H23 H28 120.5 3_676 3_676 3_676 no O2 H23 H29 156.8 3_676 3_676 3_676 no N3 H23 N4 72.5 3_676 3_676 3_676 no N3 H23 C14 145.5 3_676 3_676 3_676 no N3 H23 C15 133.8 3_676 3_676 3_676 no N3 H23 C19 69.5 3_676 3_676 3_676 no N3 H23 C19 23.1 3_676 3_676 3_676 no N3 H23 C21 101.4 3_676 3_676 3_676 no N3 H23 C22 94.4 3_676 3_676 3_676 no N3 H23 C23 82.6 3_676 3_676 3_676 no N3 H23 C24 136.8 3_676 3_676 3_676 no N3 H23 C25 23.5 3_676 3_676 3_676 no N3 H23 C29 65.0 3_676 3_676 3_676 no N3 H23 C30 43.7 3_676 3_676 3_676 no N3 H23 C33 103.0 3_676 3_676 3_676 no N3 H23 H12 158.1 3_676 3_676 3_676 no N3 H23 H13 131.6 3_676 3_676 3_676 no N3 H23 H17 113.1 3_676 3_676 3_676 no N3 H23 H18 86.0 3_676 3_676 3_676 no N3 H23 H20 77.0 3_676 3_676 3_676 no N3 H23 H21 139.8 3_676 3_676 3_676 no N3 H23 H22 145.3 3_676 3_676 3_676 no N3 H23 H24 80.5 3_676 3_676 3_676 no N3 H23 H25 59.8 3_676 3_676 3_676 no N3 H23 H26 81.7 3_676 3_676 3_676 no N3 H23 H27 50.2 3_676 3_676 3_676 no N3 H23 H28 89.0 3_676 3_676 3_676 no N3 H23 H29 118.7 3_676 3_676 3_676 no N4 H23 C14 141.7 . . . no N4 H23 C15 148.6 . . . no N4 H23 C19 7.7 . . . no N4 H23 C19 64.4 . . . no N4 H23 C21 48.0 . . . no N4 H23 C22 29.5 . . . no N4 H23 C23 133.9 . . . no N4 H23 C24 66.2 . . . no N4 H23 C25 94.8 . . . no N4 H23 C29 127.0 . . . no N4 H23 C30 104.8 . . . no N4 H23 C33 89.1 . . . no N4 H23 H12 127.2 . . . no N4 H23 H13 137.5 . . . no N4 H23 H17 66.1 . . . no N4 H23 H18 122.6 . . . no N4 H23 H20 140.5 . . . no N4 H23 H21 74.7 . . . no N4 H23 H22 95.4 . . . no N4 H23 H24 85.6 . . . no N4 H23 H25 38.7 . . . no N4 H23 H26 131.8 . . . no N4 H23 H27 89.0 . . . no N4 H23 H28 57.6 . . . no N4 H23 H29 91.2 . . . no C14 H23 C15 20.6 3_676 3_676 3_676 no C14 H23 C19 145.1 3_676 3_676 3_676 no C14 H23 C19 150.7 3_676 3_676 3_676 no C14 H23 C21 107.8 3_676 3_676 3_676 no C14 H23 C22 119.0 3_676 3_676 3_676 no C14 H23 C23 73.3 3_676 3_676 3_676 no C14 H23 C24 77.3 3_676 3_676 3_676 no C14 H23 C25 122.4 3_676 3_676 3_676 no C14 H23 C29 83.5 3_676 3_676 3_676 no C14 H23 C30 106.7 3_676 3_676 3_676 no C14 H23 C33 78.7 3_676 3_676 3_676 no C14 H23 H12 15.0 3_676 3_676 3_676 no C14 H23 H13 33.5 3_676 3_676 3_676 no C14 H23 H17 91.8 3_676 3_676 3_676 no C14 H23 H18 77.1 3_676 3_676 3_676 no C14 H23 H20 73.4 3_676 3_676 3_676 no C14 H23 H21 68.8 3_676 3_676 3_676 no C14 H23 H22 56.4 3_676 3_676 3_676 no C14 H23 H24 102.2 3_676 3_676 3_676 no C14 H23 H25 138.8 3_676 3_676 3_676 no C14 H23 H26 70.1 3_676 3_676 3_676 no C14 H23 H27 112.3 3_676 3_676 3_676 no C14 H23 H28 106.1 3_676 3_676 3_676 no C14 H23 H29 68.0 3_676 3_676 3_676 no C15 H23 C19 147.2 3_676 3_676 3_676 no C15 H23 C19 131.2 3_676 3_676 3_676 no C15 H23 C21 103.1 3_676 3_676 3_676 no C15 H23 C22 119.6 3_676 3_676 3_676 no C15 H23 C23 54.0 3_676 3_676 3_676 no C15 H23 C24 83.4 3_676 3_676 3_676 no C15 H23 C25 114.4 3_676 3_676 3_676 no C15 H23 C29 84.1 3_676 3_676 3_676 no C15 H23 C30 106.6 3_676 3_676 3_676 no C15 H23 C33 98.5 3_676 3_676 3_676 no C15 H23 H12 33.4 3_676 3_676 3_676 no C15 H23 H13 15.4 3_676 3_676 3_676 no C15 H23 H17 85.1 3_676 3_676 3_676 no C15 H23 H18 56.6 3_676 3_676 3_676 no C15 H23 H20 57.0 3_676 3_676 3_676 no C15 H23 H21 85.3 3_676 3_676 3_676 no C15 H23 H22 53.2 3_676 3_676 3_676 no C15 H23 H24 83.4 3_676 3_676 3_676 no C15 H23 H25 159.3 3_676 3_676 3_676 no C15 H23 H26 76.1 3_676 3_676 3_676 no C15 H23 H27 120.4 3_676 3_676 3_676 no C15 H23 H28 126.7 3_676 3_676 3_676 no C15 H23 H29 88.5 3_676 3_676 3_676 no C19 H23 C19 58.8 . . . no C19 H23 C21 44.4 . . . no C19 H23 C22 27.9 . . . no C19 H23 C23 126.3 . . . no C19 H23 C24 68.0 . . . no C19 H23 C25 92.5 . . . no C19 H23 C29 128.3 . . . no C19 H23 C30 105.4 . . . no C19 H23 C33 96.6 . . . no C19 H23 H12 131.4 . . . no C19 H23 H13 134.2 . . . no C19 H23 H17 62.5 . . . no C19 H23 H18 115.0 . . . no C19 H23 H20 133.4 . . . no C19 H23 H21 80.5 . . . no C19 H23 H22 94.3 . . . no C19 H23 H24 78.3 . . . no C19 H23 H25 43.7 . . . no C19 H23 H26 136.0 . . . no C19 H23 H27 92.0 . . . no C19 H23 H28 65.0 . . . no C19 H23 H29 98.8 . . . no C19 H23 C21 80.7 3_676 3_676 3_676 no C19 H23 C22 78.2 3_676 3_676 3_676 no C19 H23 C23 77.5 3_676 3_676 3_676 no C19 H23 C24 119.3 3_676 3_676 3_676 no C19 H23 C25 42.7 3_676 3_676 3_676 no C19 H23 C29 84.9 3_676 3_676 3_676 no C19 H23 C30 65.6 3_676 3_676 3_676 no C19 H23 C33 122.5 3_676 3_676 3_676 no C19 H23 H12 164.5 3_676 3_676 3_676 no C19 H23 H13 121.9 3_676 3_676 3_676 no C19 H23 H17 90.5 3_676 3_676 3_676 no C19 H23 H18 75.2 3_676 3_676 3_676 no C19 H23 H20 77.8 3_676 3_676 3_676 no C19 H23 H21 139.1 3_676 3_676 3_676 no C19 H23 H22 122.4 3_676 3_676 3_676 no C19 H23 H24 59.5 3_676 3_676 3_676 no C19 H23 H25 68.1 3_676 3_676 3_676 no C19 H23 H26 102.7 3_676 3_676 3_676 no C19 H23 H27 72.9 3_676 3_676 3_676 no C19 H23 H28 100.9 3_676 3_676 3_676 no C19 H23 H29 136.8 3_676 3_676 3_676 no C21 H23 C22 19.8 . . . no C21 H23 C23 103.1 . . . no C21 H23 C24 39.6 . . . no C21 H23 C25 123.4 . . . no C21 H23 C29 165.3 . . . no C21 H23 C30 144.8 . . . no C21 H23 C33 119.0 . . . no C21 H23 H12 99.8 . . . no C21 H23 H13 89.9 . . . no C21 H23 H17 18.2 . . . no C21 H23 H18 88.1 . . . no C21 H23 H20 117.4 . . . no C21 H23 H21 72.0 . . . no C21 H23 H22 51.7 . . . no C21 H23 H24 53.6 . . . no C21 H23 H25 86.4 . . . no C21 H23 H26 176.1 . . . no C21 H23 H27 136.4 . . . no C21 H23 H28 95.0 . . . no C21 H23 H29 109.8 . . . no C22 H23 C23 120.9 . . . no C22 H23 C24 42.4 . . . no C22 H23 C25 117.9 . . . no C22 H23 C29 156.2 . . . no C22 H23 C30 133.2 . . . no C22 H23 C33 103.5 . . . no C22 H23 H12 107.5 . . . no C22 H23 H13 108.0 . . . no C22 H23 H17 37.2 . . . no C22 H23 H18 106.1 . . . no C22 H23 H20 134.3 . . . no C22 H23 H21 65.8 . . . no C22 H23 H22 66.5 . . . no C22 H23 H24 69.5 . . . no C22 H23 H25 67.1 . . . no C22 H23 H26 158.7 . . . no C22 H23 H27 118.4 . . . no C22 H23 H28 76.4 . . . no C22 H23 H29 98.0 . . . no C23 H23 C24 117.7 2_546 2_546 2_546 no C23 H23 C25 71.1 2_546 2_546 2_546 no C23 H23 C29 70.5 2_546 2_546 2_546 no C23 H23 C30 80.1 2_546 2_546 2_546 no C23 H23 C33 134.9 2_546 2_546 2_546 no C23 H23 H12 87.3 2_546 2_546 2_546 no C23 H23 H13 49.0 2_546 2_546 2_546 no C23 H23 H17 90.4 2_546 2_546 2_546 no C23 H23 H18 15.0 2_546 2_546 2_546 no C23 H23 H20 14.7 2_546 2_546 2_546 no C23 H23 H21 137.5 2_546 2_546 2_546 no C23 H23 H22 83.4 2_546 2_546 2_546 no C23 H23 H24 51.7 2_546 2_546 2_546 no C23 H23 H25 142.3 2_546 2_546 2_546 no C23 H23 H26 79.6 2_546 2_546 2_546 no C23 H23 H27 104.2 2_546 2_546 2_546 no C23 H23 H28 161.2 2_546 2_546 2_546 no C23 H23 H29 134.9 2_546 2_546 2_546 no C24 H23 C25 160.3 . . . no C24 H23 C29 155.1 . . . no C24 H23 C30 161.8 . . . no C24 H23 C33 88.8 . . . no C24 H23 H12 65.0 . . . no C24 H23 H13 77.4 . . . no C24 H23 H17 37.2 . . . no C24 H23 H18 105.5 . . . no C24 H23 H20 130.7 . . . no C24 H23 H21 35.4 . . . no C24 H23 H22 35.3 . . . no C24 H23 H24 84.2 . . . no C24 H23 H25 93.0 . . . no C24 H23 H26 136.6 . . . no C24 H23 H27 137.8 . . . no C24 H23 H28 79.7 . . . no C24 H23 H29 75.3 . . . no C25 H23 C29 42.4 3_676 3_676 3_676 no C25 H23 C30 24.1 3_676 3_676 3_676 no C25 H23 C33 96.4 3_676 3_676 3_676 no C25 H23 H12 134.6 3_676 3_676 3_676 no C25 H23 H13 117.5 3_676 3_676 3_676 no C25 H23 H17 131.5 3_676 3_676 3_676 no C25 H23 H18 79.7 3_676 3_676 3_676 no C25 H23 H20 61.2 3_676 3_676 3_676 no C25 H23 H21 147.6 3_676 3_676 3_676 no C25 H23 H22 152.4 3_676 3_676 3_676 no C25 H23 H24 89.3 3_676 3_676 3_676 no C25 H23 H25 73.3 3_676 3_676 3_676 no C25 H23 H26 60.1 3_676 3_676 3_676 no C25 H23 H27 41.0 3_676 3_676 3_676 no C25 H23 H28 94.8 3_676 3_676 3_676 no C25 H23 H29 112.0 3_676 3_676 3_676 no C29 H23 C30 23.2 3_676 3_676 3_676 no C29 H23 C33 71.8 3_676 3_676 3_676 no C29 H23 H12 93.2 3_676 3_676 3_676 no C29 H23 H13 95.2 3_676 3_676 3_676 no C29 H23 H17 161.0 3_676 3_676 3_676 no C29 H23 H18 85.2 3_676 3_676 3_676 no C29 H23 H20 55.8 3_676 3_676 3_676 no C29 H23 H21 121.9 3_676 3_676 3_676 no C29 H23 H22 137.4 3_676 3_676 3_676 no C29 H23 H24 115.7 3_676 3_676 3_676 no C29 H23 H25 91.1 3_676 3_676 3_676 no C29 H23 H26 18.5 3_676 3_676 3_676 no C29 H23 H27 39.2 3_676 3_676 3_676 no C29 H23 H28 90.7 3_676 3_676 3_676 no C29 H23 H29 82.9 3_676 3_676 3_676 no C30 H23 C33 74.9 3_676 3_676 3_676 no C30 H23 H12 115.4 3_676 3_676 3_676 no C30 H23 H13 115.9 3_676 3_676 3_676 no C30 H23 H17 155.6 3_676 3_676 3_676 no C30 H23 H18 92.6 3_676 3_676 3_676 no C30 H23 H20 66.5 3_676 3_676 3_676 no C30 H23 H21 128.6 3_676 3_676 3_676 no C30 H23 H22 159.4 3_676 3_676 3_676 no C30 H23 H24 111.6 3_676 3_676 3_676 no C30 H23 H25 72.3 3_676 3_676 3_676 no C30 H23 H26 38.1 3_676 3_676 3_676 no C30 H23 H27 24.2 3_676 3_676 3_676 no C30 H23 H28 82.2 3_676 3_676 3_676 no C30 H23 H29 89.6 3_676 3_676 3_676 no C33 H23 H12 70.9 2_646 2_646 2_646 no C33 H23 H13 112.2 2_646 2_646 2_646 no C33 H23 H17 125.5 2_646 2_646 2_646 no C33 H23 H18 148.2 2_646 2_646 2_646 no C33 H23 H20 122.2 2_646 2_646 2_646 no C33 H23 H21 53.8 2_646 2_646 2_646 no C33 H23 H22 109.4 2_646 2_646 2_646 no C33 H23 H24 172.5 2_646 2_646 2_646 no C33 H23 H25 61.0 2_646 2_646 2_646 no C33 H23 H26 57.7 2_646 2_646 2_646 no C33 H23 H27 55.7 2_646 2_646 2_646 no C33 H23 H28 31.7 2_646 2_646 2_646 no C33 H23 H29 16.0 2_646 2_646 2_646 no H12 H23 H13 42.8 3_676 3_676 3_676 no H12 H23 H17 86.3 3_676 3_676 3_676 no H12 H23 H18 89.3 3_676 3_676 3_676 no H12 H23 H20 88.4 3_676 3_676 3_676 no H12 H23 H21 53.8 3_676 3_676 3_676 no H12 H23 H22 51.3 3_676 3_676 3_676 no H12 H23 H24 108.2 3_676 3_676 3_676 no H12 H23 H25 127.4 3_676 3_676 3_676 no H12 H23 H26 77.4 3_676 3_676 3_676 no H12 H23 H27 114.7 3_676 3_676 3_676 no H12 H23 H28 94.6 3_676 3_676 3_676 no H12 H23 H29 57.8 3_676 3_676 3_676 no H13 H23 H17 71.7 3_676 3_676 3_676 no H13 H23 H18 47.1 3_676 3_676 3_676 no H13 H23 H20 56.5 3_676 3_676 3_676 no H13 H23 H21 88.5 3_676 3_676 3_676 no H13 H23 H22 43.6 3_676 3_676 3_676 no H13 H23 H24 68.9 3_676 3_676 3_676 no H13 H23 H25 168.6 3_676 3_676 3_676 no H13 H23 H26 89.8 3_676 3_676 3_676 no H13 H23 H27 133.5 3_676 3_676 3_676 no H13 H23 H28 137.2 3_676 3_676 3_676 no H13 H23 H29 100.5 3_676 3_676 3_676 no H17 H23 H18 75.7 . . . no H17 H23 H20 105.2 . . . no H17 H23 H21 72.6 . . . no H17 H23 H22 35.6 . . . no H17 H23 H24 47.3 . . . no H17 H23 H25 104.3 . . . no H17 H23 H26 161.2 . . . no H17 H23 H27 154.5 . . . no H17 H23 H28 108.4 . . . no H17 H23 H29 112.5 . . . no H18 H23 H20 29.6 2_546 2_546 2_546 no H18 H23 H21 131.9 2_546 2_546 2_546 no H18 H23 H22 73.2 2_546 2_546 2_546 no H18 H23 H24 37.7 2_546 2_546 2_546 no H18 H23 H25 143.3 2_546 2_546 2_546 no H18 H23 H26 94.5 2_546 2_546 2_546 no H18 H23 H27 116.7 2_546 2_546 2_546 no H18 H23 H28 174.5 2_546 2_546 2_546 no H18 H23 H29 144.1 2_546 2_546 2_546 no H20 H23 H21 142.0 2_546 2_546 2_546 no H20 H23 H22 95.5 2_546 2_546 2_546 no H20 H23 H24 64.8 2_546 2_546 2_546 no H20 H23 H25 134.5 2_546 2_546 2_546 no H20 H23 H26 65.5 2_546 2_546 2_546 no H20 H23 H27 90.4 2_546 2_546 2_546 no H20 H23 H28 146.5 2_546 2_546 2_546 no H20 H23 H29 125.8 2_546 2_546 2_546 no H21 H23 H22 60.0 . . . no H21 H23 H24 119.5 . . . no H21 H23 H25 80.2 . . . no H21 H23 H26 104.1 . . . no H21 H23 H27 107.2 . . . no H21 H23 H28 53.5 . . . no H21 H23 H29 39.8 . . . no H22 H23 H24 66.0 . . . no H22 H23 H25 127.9 . . . no H22 H23 H26 126.4 . . . no H22 H23 H27 164.4 . . . no H22 H23 H28 112.3 . . . no H22 H23 H29 93.4 . . . no H24 H23 H25 116.6 4_475 4_475 4_475 no H24 H23 H26 129.7 4_475 4_475 4_475 no H24 H23 H27 129.4 4_475 4_475 4_475 no H24 H23 H28 143.2 4_475 4_475 4_475 no H24 H23 H29 158.7 4_475 4_475 4_475 no H25 H23 H26 93.2 2_646 2_646 2_646 no H25 H23 H27 51.9 2_646 2_646 2_646 no H25 H23 H28 33.0 2_646 2_646 2_646 no H25 H23 H29 70.9 2_646 2_646 2_646 no H26 H23 H27 44.3 3_676 3_676 3_676 no H26 H23 H28 82.6 3_676 3_676 3_676 no H26 H23 H29 66.4 3_676 3_676 3_676 no H27 H23 H28 58.1 3_676 3_676 3_676 no H27 H23 H29 71.5 3_676 3_676 3_676 no H28 H23 H29 38.3 2_646 2_646 2_646 no O2 H24 O2 142.0 . . . no O2 H24 N3 42.9 . . . no O2 H24 C19 21.6 . . . no O2 H24 C19 139.5 . . . no O2 H24 C20 63.5 . . . no O2 H24 C20 65.0 . . . no O2 H24 C20 130.0 . . . no O2 H24 C21 59.8 . . . no O2 H24 C21 148.5 . . . no O2 H24 C22 79.0 . . . no O2 H24 C23 83.9 . . . no O2 H24 C23 113.9 . . . no O2 H24 C24 80.0 . . . no O2 H24 C25 53.7 . . . no O2 H24 C26 76.4 . . . no O2 H24 C27 98.8 . . . no O2 H24 C28 88.7 . . . no O2 H24 C29 73.6 . . . no O2 H24 C30 60.1 . . . no O2 H24 H14 115.8 . . . no O2 H24 H17 40.8 . . . no O2 H24 H17 163.6 . . . no O2 H24 H18 106.7 . . . no O2 H24 H19 91.9 . . . no O2 H24 H20 56.6 . . . no O2 H24 H20 118.6 . . . no O2 H24 H22 68.2 . . . no O2 H24 H23 95.8 . . . no O2 H24 H25 117.1 . . . no O2 H24 N3 165.9 2_656 2_656 2_656 no O2 H24 C19 151.3 2_656 2_656 2_656 no O2 H24 C19 10.7 2_656 2_656 2_656 no O2 H24 C20 145.2 2_656 2_656 2_656 no O2 H24 C20 84.5 2_656 2_656 2_656 no O2 H24 C20 71.7 2_656 2_656 2_656 no O2 H24 C21 83.6 2_656 2_656 2_656 no O2 H24 C21 62.3 2_656 2_656 2_656 no O2 H24 C22 63.1 2_656 2_656 2_656 no O2 H24 C23 131.6 2_656 2_656 2_656 no O2 H24 C23 73.9 2_656 2_656 2_656 no O2 H24 C24 64.5 2_656 2_656 2_656 no O2 H24 C25 157.5 2_656 2_656 2_656 no O2 H24 C26 122.6 2_656 2_656 2_656 no O2 H24 C27 90.8 2_656 2_656 2_656 no O2 H24 C28 104.5 2_656 2_656 2_656 no O2 H24 C29 125.3 2_656 2_656 2_656 no O2 H24 C30 145.1 2_656 2_656 2_656 no O2 H24 H14 100.5 2_656 2_656 2_656 no O2 H24 H17 101.5 2_656 2_656 2_656 no O2 H24 H17 48.4 2_656 2_656 2_656 no O2 H24 H18 78.7 2_656 2_656 2_656 no O2 H24 H19 125.9 2_656 2_656 2_656 no O2 H24 H20 108.1 2_656 2_656 2_656 no O2 H24 H20 60.4 2_656 2_656 2_656 no O2 H24 H22 79.1 2_656 2_656 2_656 no O2 H24 H23 51.0 2_656 2_656 2_656 no O2 H24 H25 64.8 2_656 2_656 2_656 no N3 H24 C19 26.1 . . . no N3 H24 C19 176.4 . . . no N3 H24 C20 22.4 . . . no N3 H24 C20 105.8 . . . no N3 H24 C20 96.0 . . . no N3 H24 C21 102.7 . . . no N3 H24 C21 108.3 . . . no N3 H24 C22 119.9 . . . no N3 H24 C23 41.0 . . . no N3 H24 C23 92.0 . . . no N3 H24 C24 112.2 . . . no N3 H24 C25 33.6 . . . no N3 H24 C26 69.4 . . . no N3 H24 C27 101.6 . . . no N3 H24 C28 87.9 . . . no N3 H24 C29 66.9 . . . no N3 H24 C30 46.8 . . . no N3 H24 H14 81.0 . . . no N3 H24 H17 83.1 . . . no N3 H24 H17 123.4 . . . no N3 H24 H18 87.2 . . . no N3 H24 H19 50.6 . . . no N3 H24 H20 85.2 . . . no N3 H24 H20 105.5 . . . no N3 H24 H22 96.3 . . . no N3 H24 H23 122.7 . . . no N3 H24 H25 127.9 . . . no C19 H24 C19 154.9 . . . no C19 H24 C20 43.4 . . . no C19 H24 C20 86.3 . . . no C19 H24 C20 109.0 . . . no C19 H24 C21 78.4 . . . no C19 H24 C21 126.9 . . . no C19 H24 C22 93.9 . . . no C19 H24 C23 65.8 . . . no C19 H24 C23 95.9 . . . no C19 H24 C24 87.5 . . . no C19 H24 C25 50.5 . . . no C19 H24 C26 82.5 . . . no C19 H24 C27 111.3 . . . no C19 H24 C28 98.8 . . . no C19 H24 C29 79.5 . . . no C19 H24 C30 61.3 . . . no C19 H24 H14 106.6 . . . no C19 H24 H17 58.2 . . . no C19 H24 H17 142.2 . . . no C19 H24 H18 89.2 . . . no C19 H24 H19 76.6 . . . no C19 H24 H20 76.4 . . . no C19 H24 H20 104.3 . . . no C19 H24 H22 72.4 . . . no C19 H24 H23 100.4 . . . no C19 H24 H25 134.4 . . . no C19 H24 C20 154.2 2_656 2_656 2_656 no C19 H24 C20 77.3 2_656 2_656 2_656 no C19 H24 C20 80.5 2_656 2_656 2_656 no C19 H24 C21 79.7 2_656 2_656 2_656 no C19 H24 C21 68.6 2_656 2_656 2_656 no C19 H24 C22 61.6 2_656 2_656 2_656 no C19 H24 C23 136.6 2_656 2_656 2_656 no C19 H24 C23 84.4 2_656 2_656 2_656 no C19 H24 C24 67.8 2_656 2_656 2_656 no C19 H24 C25 148.8 2_656 2_656 2_656 no C19 H24 C26 113.1 2_656 2_656 2_656 no C19 H24 C27 81.0 2_656 2_656 2_656 no C19 H24 C28 94.7 2_656 2_656 2_656 no C19 H24 C29 115.7 2_656 2_656 2_656 no C19 H24 C30 135.8 2_656 2_656 2_656 no C19 H24 H14 98.5 2_656 2_656 2_656 no C19 H24 H17 99.0 2_656 2_656 2_656 no C19 H24 H17 53.7 2_656 2_656 2_656 no C19 H24 H18 89.3 2_656 2_656 2_656 no C19 H24 H19 127.8 2_656 2_656 2_656 no C19 H24 H20 98.4 2_656 2_656 2_656 no C19 H24 H20 71.0 2_656 2_656 2_656 no C19 H24 H22 83.4 2_656 2_656 2_656 no C19 H24 H23 56.4 2_656 2_656 2_656 no C19 H24 H25 54.8 2_656 2_656 2_656 no C20 H24 C20 127.9 . . . no C20 H24 C20 73.8 . . . no C20 H24 C21 121.8 . . . no C20 H24 C21 86.3 . . . no C20 H24 C22 133.5 . . . no C20 H24 C23 23.8 . . . no C20 H24 C23 72.6 . . . no C20 H24 C24 117.6 . . . no C20 H24 C25 46.8 . . . no C20 H24 C26 79.9 . . . no C20 H24 C27 110.6 . . . no C20 H24 C28 97.8 . . . no C20 H24 C29 78.0 . . . no C20 H24 C30 59.3 . . . no C20 H24 H14 71.3 . . . no C20 H24 H17 101.4 . . . no C20 H24 H17 101.6 . . . no C20 H24 H18 69.1 . . . no C20 H24 H19 37.8 . . . no C20 H24 H20 106.6 . . . no C20 H24 H20 87.6 . . . no C20 H24 H22 101.5 . . . no C20 H24 H23 121.5 . . . no C20 H24 H25 134.5 . . . no C20 H24 C20 153.5 4_575 4_575 4_575 no C20 H24 C21 20.5 4_575 4_575 4_575 no C20 H24 C21 145.8 4_575 4_575 4_575 no C20 H24 C22 37.4 4_575 4_575 4_575 no C20 H24 C23 142.7 4_575 4_575 4_575 no C20 H24 C23 138.4 4_575 4_575 4_575 no C20 H24 C24 59.1 4_575 4_575 4_575 no C20 H24 C25 94.9 4_575 4_575 4_575 no C20 H24 C26 81.1 4_575 4_575 4_575 no C20 H24 C27 69.9 4_575 4_575 4_575 no C20 H24 C28 73.4 4_575 4_575 4_575 no C20 H24 C29 80.7 4_575 4_575 4_575 no C20 H24 C30 88.4 4_575 4_575 4_575 no C20 H24 H14 127.5 4_575 4_575 4_575 no C20 H24 H17 34.6 4_575 4_575 4_575 no C20 H24 H17 130.4 4_575 4_575 4_575 no C20 H24 H18 135.3 4_575 4_575 4_575 no C20 H24 H19 139.7 4_575 4_575 4_575 no C20 H24 H20 32.6 4_575 4_575 4_575 no C20 H24 H20 124.6 4_575 4_575 4_575 no C20 H24 H22 65.6 4_575 4_575 4_575 no C20 H24 H23 71.0 4_575 4_575 4_575 no C20 H24 H25 66.6 4_575 4_575 4_575 no C20 H24 C21 139.6 3_686 3_686 3_686 no C20 H24 C21 21.1 3_686 3_686 3_686 no C20 H24 C22 117.9 3_686 3_686 3_686 no C20 H24 C23 63.4 3_686 3_686 3_686 no C20 H24 C23 23.1 3_686 3_686 3_686 no C20 H24 C24 99.0 3_686 3_686 3_686 no C20 H24 C25 111.5 3_686 3_686 3_686 no C20 H24 C26 121.4 3_686 3_686 3_686 no C20 H24 C27 120.5 3_686 3_686 3_686 no C20 H24 C28 123.1 3_686 3_686 3_686 no C20 H24 C29 122.5 3_686 3_686 3_686 no C20 H24 C30 117.7 3_686 3_686 3_686 no C20 H24 H14 69.9 3_686 3_686 3_686 no C20 H24 H17 138.8 3_686 3_686 3_686 no C20 H24 H17 33.9 3_686 3_686 3_686 no C20 H24 H18 29.6 3_686 3_686 3_686 no C20 H24 H19 66.4 3_686 3_686 3_686 no C20 H24 H20 169.5 3_686 3_686 3_686 no C20 H24 H20 32.1 3_686 3_686 3_686 no C20 H24 H22 97.8 3_686 3_686 3_686 no C20 H24 H23 84.7 3_686 3_686 3_686 no C20 H24 H25 111.1 3_686 3_686 3_686 no C21 H24 C21 144.0 4_575 4_575 4_575 no C21 H24 C22 23.3 4_575 4_575 4_575 no C21 H24 C23 143.7 4_575 4_575 4_575 no C21 H24 C23 119.7 4_575 4_575 4_575 no C21 H24 C24 40.8 4_575 4_575 4_575 no C21 H24 C25 103.6 4_575 4_575 4_575 no C21 H24 C26 98.8 4_575 4_575 4_575 no C21 H24 C27 90.4 4_575 4_575 4_575 no C21 H24 C28 93.3 4_575 4_575 4_575 no C21 H24 C29 97.8 4_575 4_575 4_575 no C21 H24 C30 100.9 4_575 4_575 4_575 no C21 H24 H14 147.9 4_575 4_575 4_575 no C21 H24 H17 20.4 4_575 4_575 4_575 no C21 H24 H17 131.9 4_575 4_575 4_575 no C21 H24 H18 115.7 4_575 4_575 4_575 no C21 H24 H19 149.6 4_575 4_575 4_575 no C21 H24 H20 49.4 4_575 4_575 4_575 no C21 H24 H20 107.8 4_575 4_575 4_575 no C21 H24 H22 45.2 4_575 4_575 4_575 no C21 H24 H23 55.0 4_575 4_575 4_575 no C21 H24 H25 84.8 4_575 4_575 4_575 no C21 H24 C22 120.9 3_686 3_686 3_686 no C21 H24 C23 69.3 3_686 3_686 3_686 no C21 H24 C23 42.8 3_686 3_686 3_686 no C21 H24 C24 108.6 3_686 3_686 3_686 no C21 H24 C25 112.3 3_686 3_686 3_686 no C21 H24 C26 108.8 3_686 3_686 3_686 no C21 H24 C27 100.5 3_686 3_686 3_686 no C21 H24 C28 105.4 3_686 3_686 3_686 no C21 H24 C29 110.7 3_686 3_686 3_686 no C21 H24 C30 113.5 3_686 3_686 3_686 no C21 H24 H14 57.3 3_686 3_686 3_686 no C21 H24 H17 154.0 3_686 3_686 3_686 no C21 H24 H17 15.5 3_686 3_686 3_686 no C21 H24 H18 49.8 3_686 3_686 3_686 no C21 H24 H19 66.4 3_686 3_686 3_686 no C21 H24 H20 149.5 3_686 3_686 3_686 no C21 H24 H20 46.6 3_686 3_686 3_686 no C21 H24 H22 112.4 3_686 3_686 3_686 no C21 H24 H23 92.2 3_686 3_686 3_686 no C21 H24 H25 90.2 3_686 3_686 3_686 no C22 H24 C23 157.1 4_575 4_575 4_575 no C22 H24 C23 101.3 4_575 4_575 4_575 no C22 H24 C24 23.5 4_575 4_575 4_575 no C22 H24 C25 126.7 4_575 4_575 4_575 no C22 H24 C26 118.3 4_575 4_575 4_575 no C22 H24 C27 100.9 4_575 4_575 4_575 no C22 H24 C28 108.2 4_575 4_575 4_575 no C22 H24 C29 118.0 4_575 4_575 4_575 no C22 H24 C30 123.9 4_575 4_575 4_575 no C22 H24 H14 154.5 4_575 4_575 4_575 no C22 H24 H17 38.4 4_575 4_575 4_575 no C22 H24 H17 110.1 4_575 4_575 4_575 no C22 H24 H18 99.0 4_575 4_575 4_575 no C22 H24 H19 170.6 4_575 4_575 4_575 no C22 H24 H20 69.8 4_575 4_575 4_575 no C22 H24 H20 87.2 4_575 4_575 4_575 no C22 H24 H22 35.8 4_575 4_575 4_575 no C22 H24 H23 33.7 4_575 4_575 4_575 no C22 H24 H25 86.0 4_575 4_575 4_575 no C23 H24 C23 71.9 . . . no C23 H24 C24 137.7 . . . no C23 H24 C25 48.4 . . . no C23 H24 C26 71.5 . . . no C23 H24 C27 96.7 . . . no C23 H24 C28 86.4 . . . no C23 H24 C29 70.7 . . . no C23 H24 C30 57.1 . . . no C23 H24 H14 48.3 . . . no C23 H24 H17 123.9 . . . no C23 H24 H17 83.3 . . . no C23 H24 H18 71.4 . . . no C23 H24 H19 15.2 . . . no C23 H24 H20 112.7 . . . no C23 H24 H20 87.6 . . . no C23 H24 H22 122.8 . . . no C23 H24 H23 135.6 . . . no C23 H24 H25 115.6 . . . no C23 H24 C24 79.5 3_686 3_686 3_686 no C23 H24 C25 118.2 3_686 3_686 3_686 no C23 H24 C26 140.4 3_686 3_686 3_686 no C23 H24 C27 143.3 3_686 3_686 3_686 no C23 H24 C28 145.9 3_686 3_686 3_686 no C23 H24 C29 140.6 3_686 3_686 3_686 no C23 H24 C30 128.8 3_686 3_686 3_686 no C23 H24 H14 91.7 3_686 3_686 3_686 no C23 H24 H17 115.7 3_686 3_686 3_686 no C23 H24 H17 52.0 3_686 3_686 3_686 no C23 H24 H18 7.2 3_686 3_686 3_686 no C23 H24 H19 80.2 3_686 3_686 3_686 no C23 H24 H20 167.3 3_686 3_686 3_686 no C23 H24 H20 15.8 3_686 3_686 3_686 no C23 H24 H22 75.5 3_686 3_686 3_686 no C23 H24 H23 67.8 3_686 3_686 3_686 no C23 H24 H25 129.0 3_686 3_686 3_686 no C24 H24 C25 133.7 4_575 4_575 4_575 no C24 H24 C26 139.5 4_575 4_575 4_575 no C24 H24 C27 124.2 4_575 4_575 4_575 no C24 H24 C28 131.6 4_575 4_575 4_575 no C24 H24 C29 138.5 4_575 4_575 4_575 no C24 H24 C30 137.3 4_575 4_575 4_575 no C24 H24 H14 164.1 4_575 4_575 4_575 no C24 H24 H17 45.9 4_575 4_575 4_575 no C24 H24 H17 102.9 4_575 4_575 4_575 no C24 H24 H18 76.3 4_575 4_575 4_575 no C24 H24 H19 152.7 4_575 4_575 4_575 no C24 H24 H20 90.1 4_575 4_575 4_575 no C24 H24 H20 67.0 4_575 4_575 4_575 no C24 H24 H22 16.4 4_575 4_575 4_575 no C24 H24 H23 16.7 4_575 4_575 4_575 no C24 H24 H25 106.5 4_575 4_575 4_575 no C25 H24 C26 35.9 . . . no C25 H24 C27 68.1 . . . no C25 H24 C28 54.4 . . . no C25 H24 C29 33.3 . . . no C25 H24 C30 13.3 . . . no C25 H24 H14 62.2 . . . no C25 H24 H17 90.2 . . . no C25 H24 H17 122.0 . . . no C25 H24 H18 115.6 . . . no C25 H24 H19 46.4 . . . no C25 H24 H20 64.5 . . . no C25 H24 H20 133.8 . . . no C25 H24 H22 121.2 . . . no C25 H24 H23 149.4 . . . no C25 H24 H25 94.3 . . . no C26 H24 C27 32.3 . . . no C26 H24 C28 18.6 . . . no C26 H24 C29 2.9 . . . no C26 H24 C30 22.7 . . . no C26 H24 H14 52.1 . . . no C26 H24 H17 97.0 . . . no C26 H24 H17 109.0 . . . no C26 H24 H18 142.1 . . . no C26 H24 H19 60.9 . . . no C26 H24 H20 49.4 . . . no C26 H24 H20 153.4 . . . no C26 H24 H22 138.9 . . . no C26 H24 H23 151.6 . . . no C26 H24 H25 58.5 . . . no C27 H24 C28 13.7 . . . no C27 H24 C29 34.8 . . . no C27 H24 C30 54.9 . . . no C27 H24 H14 57.9 . . . no C27 H24 H17 99.7 . . . no C27 H24 H17 92.8 . . . no C27 H24 H18 150.1 . . . no C27 H24 H19 82.6 . . . no C27 H24 H20 49.2 . . . no C27 H24 H20 142.7 . . . no C27 H24 H22 135.1 . . . no C27 H24 H23 127.0 . . . no C27 H24 H25 26.2 . . . no C28 H24 C29 21.1 . . . no C28 H24 C30 41.2 . . . no C28 H24 H14 54.6 . . . no C28 H24 H17 98.1 . . . no C28 H24 H17 100.7 . . . no C28 H24 H18 150.9 . . . no C28 H24 H19 73.6 . . . no C28 H24 H20 46.5 . . . no C28 H24 H20 151.3 . . . no C28 H24 H22 138.3 . . . no C28 H24 H23 138.0 . . . no C28 H24 H25 39.9 . . . no C29 H24 C30 20.1 . . . no C29 H24 H14 53.8 . . . no C29 H24 H17 95.1 . . . no C29 H24 H17 111.5 . . . no C29 H24 H18 141.8 . . . no C29 H24 H19 60.6 . . . no C29 H24 H20 48.6 . . . no C29 H24 H20 154.4 . . . no C29 H24 H22 136.8 . . . no C29 H24 H23 151.6 . . . no C29 H24 H25 61.0 . . . no C30 H24 H14 58.2 . . . no C30 H24 H17 91.5 . . . no C30 H24 H17 119.7 . . . no C30 H24 H18 127.2 . . . no C30 H24 H19 51.3 . . . no C30 H24 H20 56.2 . . . no C30 H24 H20 144.6 . . . no C30 H24 H22 128.2 . . . no C30 H24 H23 153.9 . . . no C30 H24 H25 81.1 . . . no H14 H24 H17 148.7 4_475 4_475 4_475 no H14 H24 H17 61.5 4_475 4_475 4_475 no H14 H24 H18 96.3 4_475 4_475 4_475 no H14 H24 H19 33.5 4_475 4_475 4_475 no H14 H24 H20 100.1 4_475 4_475 4_475 no H14 H24 H20 101.7 4_475 4_475 4_475 no H14 H24 H22 166.9 4_475 4_475 4_475 no H14 H24 H23 147.6 4_475 4_475 4_475 no H14 H24 H25 68.9 4_475 4_475 4_475 no H17 H24 H17 147.8 4_575 4_575 4_575 no H17 H24 H18 109.7 4_575 4_575 4_575 no H17 H24 H19 132.6 4_575 4_575 4_575 no H17 H24 H20 51.7 4_575 4_575 4_575 no H17 H24 H20 108.5 4_575 4_575 4_575 no H17 H24 H22 42.0 4_575 4_575 4_575 no H17 H24 H23 62.5 4_575 4_575 4_575 no H17 H24 H25 101.1 4_575 4_575 4_575 no H17 H24 H18 59.3 3_686 3_686 3_686 no H17 H24 H19 78.2 3_686 3_686 3_686 no H17 H24 H20 138.7 3_686 3_686 3_686 no H17 H24 H20 50.7 3_686 3_686 3_686 no H17 H24 H22 110.9 3_686 3_686 3_686 no H17 H24 H23 86.2 3_686 3_686 3_686 no H17 H24 H25 77.9 3_686 3_686 3_686 no H18 H24 H19 81.3 3_686 3_686 3_686 no H18 H24 H20 160.7 3_686 3_686 3_686 no H18 H24 H20 18.5 3_686 3_686 3_686 no H18 H24 H22 70.7 3_686 3_686 3_686 no H18 H24 H23 66.2 3_686 3_686 3_686 no H18 H24 H25 136.0 3_686 3_686 3_686 no H19 H24 H20 107.2 . . . no H19 H24 H20 95.2 . . . no H19 H24 H22 138.0 . . . no H19 H24 H23 147.4 . . . no H19 H24 H25 100.4 . . . no H20 H24 H20 157.0 4_575 4_575 4_575 no H20 H24 H22 92.4 4_575 4_575 4_575 no H20 H24 H23 103.4 4_575 4_575 4_575 no H20 H24 H25 60.8 4_575 4_575 4_575 no H20 H24 H22 66.5 3_686 3_686 3_686 no H20 H24 H23 53.6 3_686 3_686 3_686 no H20 H24 H25 121.3 3_686 3_686 3_686 no H22 H24 H23 28.3 4_575 4_575 4_575 no H22 H24 H25 121.5 4_575 4_575 4_575 no H23 H24 H25 104.0 4_575 4_575 4_575 no O2 H25 N3 84.6 2_656 2_656 2_656 no O2 H25 N4 51.8 2_656 2_656 2_656 no O2 H25 C19 24.8 2_656 2_656 2_656 no O2 H25 C20 85.8 2_656 2_656 2_656 no O2 H25 C21 68.7 2_656 2_656 2_656 no O2 H25 C22 63.1 2_656 2_656 2_656 no O2 H25 C23 106.1 2_656 2_656 2_656 no O2 H25 C25 96.3 2_656 2_656 2_656 no O2 H25 C26 83.3 2_656 2_656 2_656 no O2 H25 C27 117.9 2_656 2_656 2_656 no O2 H25 C28 150.8 2_656 2_656 2_656 no O2 H25 C29 136.9 2_656 2_656 2_656 no O2 H25 C30 117.0 2_656 2_656 2_656 no O2 H25 C31 174.9 2_656 2_656 2_656 no O2 H25 C32 146.4 2_656 2_656 2_656 no O2 H25 H14 99.7 2_656 2_656 2_656 no O2 H25 H17 41.1 2_656 2_656 2_656 no O2 H25 H20 116.0 2_656 2_656 2_656 no O2 H25 H22 68.2 2_656 2_656 2_656 no O2 H25 H23 91.1 2_656 2_656 2_656 no O2 H25 H24 57.4 2_656 2_656 2_656 no O2 H25 H27 118.8 2_656 2_656 2_656 no O2 H25 H28 125.9 2_656 2_656 2_656 no N3 H25 N4 70.9 4_575 4_575 4_575 no N3 H25 C19 78.7 4_575 4_575 4_575 no N3 H25 C20 21.1 4_575 4_575 4_575 no N3 H25 C21 36.4 4_575 4_575 4_575 no N3 H25 C22 70.8 4_575 4_575 4_575 no N3 H25 C23 36.7 4_575 4_575 4_575 no N3 H25 C25 101.2 4_575 4_575 4_575 no N3 H25 C26 98.5 4_575 4_575 4_575 no N3 H25 C27 103.3 4_575 4_575 4_575 no N3 H25 C28 104.1 4_575 4_575 4_575 no N3 H25 C29 104.7 4_575 4_575 4_575 no N3 H25 C30 103.4 4_575 4_575 4_575 no N3 H25 C31 99.0 4_575 4_575 4_575 no N3 H25 C32 105.9 4_575 4_575 4_575 no N3 H25 H14 158.1 4_575 4_575 4_575 no N3 H25 H17 124.9 4_575 4_575 4_575 no N3 H25 H20 49.8 4_575 4_575 4_575 no N3 H25 H22 146.3 4_575 4_575 4_575 no N3 H25 H23 55.7 4_575 4_575 4_575 no N3 H25 H24 91.5 4_575 4_575 4_575 no N3 H25 H27 46.3 4_575 4_575 4_575 no N3 H25 H28 120.0 4_575 4_575 4_575 no N4 H25 C19 27.2 2_656 2_656 2_656 no N4 H25 C20 88.2 2_656 2_656 2_656 no N4 H25 C21 87.0 2_656 2_656 2_656 no N4 H25 C22 11.3 2_656 2_656 2_656 no N4 H25 C23 107.6 2_656 2_656 2_656 no N4 H25 C25 147.0 2_656 2_656 2_656 no N4 H25 C26 134.0 2_656 2_656 2_656 no N4 H25 C27 167.7 2_656 2_656 2_656 no N4 H25 C28 157.4 2_656 2_656 2_656 no N4 H25 C29 170.8 2_656 2_656 2_656 no N4 H25 C30 167.0 2_656 2_656 2_656 no N4 H25 C31 125.9 2_656 2_656 2_656 no N4 H25 C32 100.8 2_656 2_656 2_656 no N4 H25 H14 128.3 2_656 2_656 2_656 no N4 H25 H17 78.3 2_656 2_656 2_656 no N4 H25 H20 120.7 2_656 2_656 2_656 no N4 H25 H22 76.6 2_656 2_656 2_656 no N4 H25 H23 41.5 2_656 2_656 2_656 no N4 H25 H24 107.9 2_656 2_656 2_656 no N4 H25 H27 75.5 2_656 2_656 2_656 no N4 H25 H28 89.1 2_656 2_656 2_656 no C19 H25 C20 88.5 2_656 2_656 2_656 no C19 H25 C21 78.0 2_656 2_656 2_656 no C19 H25 C22 38.3 2_656 2_656 2_656 no C19 H25 C23 110.7 2_656 2_656 2_656 no C19 H25 C25 121.0 2_656 2_656 2_656 no C19 H25 C26 108.0 2_656 2_656 2_656 no C19 H25 C27 142.6 2_656 2_656 2_656 no C19 H25 C28 175.2 2_656 2_656 2_656 no C19 H25 C29 161.6 2_656 2_656 2_656 no C19 H25 C30 141.7 2_656 2_656 2_656 no C19 H25 C31 152.4 2_656 2_656 2_656 no C19 H25 C32 124.7 2_656 2_656 2_656 no C19 H25 H14 113.7 2_656 2_656 2_656 no C19 H25 H17 55.7 2_656 2_656 2_656 no C19 H25 H20 123.6 2_656 2_656 2_656 no C19 H25 H22 68.3 2_656 2_656 2_656 no C19 H25 H23 67.8 2_656 2_656 2_656 no C19 H25 H24 81.9 2_656 2_656 2_656 no C19 H25 H27 99.4 2_656 2_656 2_656 no C19 H25 H28 108.0 2_656 2_656 2_656 no C20 H25 C21 21.0 4_575 4_575 4_575 no C20 H25 C22 90.2 4_575 4_575 4_575 no C20 H25 C23 22.1 4_575 4_575 4_575 no C20 H25 C25 80.1 4_575 4_575 4_575 no C20 H25 C26 77.6 4_575 4_575 4_575 no C20 H25 C27 84.0 4_575 4_575 4_575 no C20 H25 C28 92.9 4_575 4_575 4_575 no C20 H25 C29 89.4 4_575 4_575 4_575 no C20 H25 C30 84.0 4_575 4_575 4_575 no C20 H25 C31 98.9 4_575 4_575 4_575 no C20 H25 C32 115.5 4_575 4_575 4_575 no C20 H25 H14 137.2 4_575 4_575 4_575 no C20 H25 H17 120.1 4_575 4_575 4_575 no C20 H25 H20 35.2 4_575 4_575 4_575 no C20 H25 H22 153.9 4_575 4_575 4_575 no C20 H25 H23 76.7 4_575 4_575 4_575 no C20 H25 H24 74.3 4_575 4_575 4_575 no C20 H25 H27 61.2 4_575 4_575 4_575 no C20 H25 H28 134.6 4_575 4_575 4_575 no C21 H25 C22 92.9 4_575 4_575 4_575 no C21 H25 C23 37.5 4_575 4_575 4_575 no C21 H25 C25 71.1 4_575 4_575 4_575 no C21 H25 C26 64.7 4_575 4_575 4_575 no C21 H25 C27 82.3 4_575 4_575 4_575 no C21 H25 C28 101.9 4_575 4_575 4_575 no C21 H25 C29 93.9 4_575 4_575 4_575 no C21 H25 C30 82.0 4_575 4_575 4_575 no C21 H25 C31 116.3 4_575 4_575 4_575 no C21 H25 C32 136.3 4_575 4_575 4_575 no C21 H25 H14 125.6 4_575 4_575 4_575 no C21 H25 H17 99.4 4_575 4_575 4_575 no C21 H25 H20 47.6 4_575 4_575 4_575 no C21 H25 H22 134.9 4_575 4_575 4_575 no C21 H25 H23 89.7 4_575 4_575 4_575 no C21 H25 H24 55.2 4_575 4_575 4_575 no C21 H25 H27 81.2 4_575 4_575 4_575 no C21 H25 H28 155.4 4_575 4_575 4_575 no C22 H25 C23 107.1 2_656 2_656 2_656 no C22 H25 C25 158.0 2_656 2_656 2_656 no C22 H25 C26 145.1 2_656 2_656 2_656 no C22 H25 C27 174.0 2_656 2_656 2_656 no C22 H25 C28 146.1 2_656 2_656 2_656 no C22 H25 C29 159.9 2_656 2_656 2_656 no C22 H25 C30 174.2 2_656 2_656 2_656 no C22 H25 C31 114.6 2_656 2_656 2_656 no C22 H25 C32 89.9 2_656 2_656 2_656 no C22 H25 H14 130.2 2_656 2_656 2_656 no C22 H25 H17 86.9 2_656 2_656 2_656 no C22 H25 H20 119.2 2_656 2_656 2_656 no C22 H25 H22 79.1 2_656 2_656 2_656 no C22 H25 H23 31.9 2_656 2_656 2_656 no C22 H25 H24 119.1 2_656 2_656 2_656 no C22 H25 H27 66.9 2_656 2_656 2_656 no C22 H25 H28 79.8 2_656 2_656 2_656 no C23 H25 C25 69.6 4_575 4_575 4_575 no C23 H25 C26 72.0 4_575 4_575 4_575 no C23 H25 C27 66.9 4_575 4_575 4_575 no C23 H25 C28 70.9 4_575 4_575 4_575 no C23 H25 C29 68.6 4_575 4_575 4_575 no C23 H25 C30 67.2 4_575 4_575 4_575 no C23 H25 C31 78.9 4_575 4_575 4_575 no C23 H25 C32 100.5 4_575 4_575 4_575 no C23 H25 H14 122.7 4_575 4_575 4_575 no C23 H25 H17 133.4 4_575 4_575 4_575 no C23 H25 H20 13.5 4_575 4_575 4_575 no C23 H25 H22 169.0 4_575 4_575 4_575 no C23 H25 H23 85.5 4_575 4_575 4_575 no C23 H25 H24 78.9 4_575 4_575 4_575 no C23 H25 H27 58.7 4_575 4_575 4_575 no C23 H25 H28 122.4 4_575 4_575 4_575 no C25 H25 C26 13.0 . . . no C25 H25 C27 21.6 . . . no C25 H25 C28 54.9 . . . no C25 H25 C29 40.8 . . . no C25 H25 C30 20.8 . . . no C25 H25 C31 86.6 . . . no C25 H25 C32 112.2 . . . no C25 H25 H14 57.2 . . . no C25 H25 H17 81.1 . . . no C25 H25 H20 61.0 . . . no C25 H25 H22 101.2 . . . no C25 H25 H23 155.1 . . . no C25 H25 H24 39.2 . . . no C25 H25 H27 123.0 . . . no C25 H25 H28 120.9 . . . no C26 H25 C27 34.6 . . . no C26 H25 C28 68.0 . . . no C26 H25 C29 53.8 . . . no C26 H25 C30 33.8 . . . no C26 H25 C31 99.6 . . . no C26 H25 C32 124.9 . . . no C26 H25 H14 61.2 . . . no C26 H25 H17 72.1 . . . no C26 H25 H20 66.0 . . . no C26 H25 H22 97.7 . . . no C26 H25 H23 154.1 . . . no C26 H25 H24 26.2 . . . no C26 H25 H27 129.4 . . . no C26 H25 H28 131.3 . . . no C27 H25 C28 33.3 . . . no C27 H25 C29 19.2 . . . no C27 H25 C30 0.9 . . . no C27 H25 C31 65.0 . . . no C27 H25 C32 91.2 . . . no C27 H25 H14 55.7 . . . no C27 H25 H17 97.3 . . . no C27 H25 H20 54.9 . . . no C27 H25 H22 106.8 . . . no C27 H25 H23 143.9 . . . no C27 H25 H24 60.8 . . . no C27 H25 H27 108.7 . . . no C27 H25 H28 103.1 . . . no C28 H25 C29 14.1 . . . no C28 H25 C30 34.2 . . . no C28 H25 C31 31.7 . . . no C28 H25 C32 58.5 . . . no C28 H25 H14 62.4 . . . no C28 H25 H17 119.9 . . . no C28 H25 H20 57.6 . . . no C28 H25 H22 109.3 . . . no C28 H25 H23 117.0 . . . no C28 H25 H24 94.1 . . . no C28 H25 H27 85.2 . . . no C28 H25 H28 74.1 . . . no C29 H25 C30 20.0 . . . no C29 H25 C31 45.8 . . . no C29 H25 C32 72.3 . . . no C29 H25 H14 57.9 . . . no C29 H25 H17 110.5 . . . no C29 H25 H20 55.1 . . . no C29 H25 H22 108.7 . . . no C29 H25 H23 129.3 . . . no C29 H25 H24 80.0 . . . no C29 H25 H27 95.5 . . . no C29 H25 H28 86.2 . . . no C30 H25 C31 65.8 . . . no C30 H25 C32 92.0 . . . no C30 H25 H14 55.5 . . . no C30 H25 H17 96.6 . . . no C30 H25 H20 55.2 . . . no C30 H25 H22 106.5 . . . no C30 H25 H23 144.6 . . . no C30 H25 H24 60.0 . . . no C30 H25 H27 109.4 . . . no C30 H25 H28 103.7 . . . no C31 H25 C32 29.0 . . . no C31 H25 H14 78.3 . . . no C31 H25 H17 135.9 . . . no C31 H25 H20 69.1 . . . no C31 H25 H22 107.2 . . . no C31 H25 H23 88.0 . . . no C31 H25 H24 125.8 . . . no C31 H25 H27 62.5 . . . no C31 H25 H28 49.1 . . . no C32 H25 H14 82.4 . . . no C32 H25 H17 124.3 . . . no C32 H25 H20 94.0 . . . no C32 H25 H22 88.4 . . . no C32 H25 H23 70.7 . . . no C32 H25 H24 150.2 . . . no C32 H25 H27 60.1 . . . no C32 H25 H28 22.2 . . . no H14 H25 H17 59.4 4_475 4_475 4_475 no H14 H25 H20 110.4 4_475 4_475 4_475 no H14 H25 H22 51.8 4_475 4_475 4_475 no H14 H25 H23 144.7 4_475 4_475 4_475 no H14 H25 H24 73.5 4_475 4_475 4_475 no H14 H25 H27 140.2 4_475 4_475 4_475 no H14 H25 H28 74.8 4_475 4_475 4_475 no H17 H25 H20 134.8 3_686 3_686 3_686 no H17 H25 H22 36.5 3_686 3_686 3_686 no H17 H25 H23 118.7 3_686 3_686 3_686 no H17 H25 H24 56.2 3_686 3_686 3_686 no H17 H25 H27 153.7 3_686 3_686 3_686 no H17 H25 H28 103.6 3_686 3_686 3_686 no H20 H25 H22 161.5 4_575 4_575 4_575 no H20 H25 H23 94.4 4_575 4_575 4_575 no H20 H25 H24 78.7 4_575 4_575 4_575 no H20 H25 H27 63.4 4_575 4_575 4_575 no H20 H25 H28 116.2 4_575 4_575 4_575 no H22 H25 H23 103.7 3_686 3_686 3_686 no H22 H25 H24 90.1 3_686 3_686 3_686 no H22 H25 H27 132.2 3_686 3_686 3_686 no H22 H25 H28 67.2 3_686 3_686 3_686 no H23 H25 H24 138.1 2_656 2_656 2_656 no H23 H25 H27 35.2 2_656 2_656 2_656 no H23 H25 H28 71.7 2_656 2_656 2_656 no H24 H25 H27 135.3 . . . no H24 H25 H28 148.1 . . . no H27 H25 H28 74.3 4_575 4_575 4_575 no C6 H26 C17 64.7 3_675 3_675 3_675 no C6 H26 C25 145.5 3_675 3_675 3_675 no C6 H26 C26 131.9 3_675 3_675 3_675 no C6 H26 C27 115.6 3_675 3_675 3_675 no C6 H26 C28 103.8 3_675 3_675 3_675 no C6 H26 C29 132.9 3_675 3_675 3_675 no C6 H26 C30 150.6 3_675 3_675 3_675 no C6 H26 C31 75.0 3_675 3_675 3_675 no C6 H26 C32 70.9 3_675 3_675 3_675 no C6 H26 C33 95.3 3_675 3_675 3_675 no C6 H26 C34 73.5 3_675 3_675 3_675 no C6 H26 C35 54.8 3_675 3_675 3_675 no C6 H26 C35 67.8 3_675 3_675 3_675 no C6 H26 C36 64.1 3_675 3_675 3_675 no C6 H26 C36 84.8 3_675 3_675 3_675 no C6 H26 H6 11.7 3_675 3_675 3_675 no C6 H26 H7 16.1 3_675 3_675 3_675 no C6 H26 H15 56.1 3_675 3_675 3_675 no C6 H26 H20 133.5 3_675 3_675 3_675 no C6 H26 H23 156.4 3_675 3_675 3_675 no C6 H26 H27 145.2 3_675 3_675 3_675 no C6 H26 H30 60.2 3_675 3_675 3_675 no C6 H26 H31 51.5 3_675 3_675 3_675 no C6 H26 H32 72.3 3_675 3_675 3_675 no C17 H26 C25 82.7 4_475 4_475 4_475 no C17 H26 C26 79.6 4_475 4_475 4_475 no C17 H26 C27 77.7 4_475 4_475 4_475 no C17 H26 C28 76.9 4_475 4_475 4_475 no C17 H26 C29 79.0 4_475 4_475 4_475 no C17 H26 C30 85.9 4_475 4_475 4_475 no C17 H26 C31 80.1 4_475 4_475 4_475 no C17 H26 C32 70.7 4_475 4_475 4_475 no C17 H26 C33 99.7 4_475 4_475 4_475 no C17 H26 C34 85.1 4_475 4_475 4_475 no C17 H26 C35 96.6 4_475 4_475 4_475 no C17 H26 C35 60.9 4_475 4_475 4_475 no C17 H26 C36 99.7 4_475 4_475 4_475 no C17 H26 C36 56.3 4_475 4_475 4_475 no C17 H26 H6 75.5 4_475 4_475 4_475 no C17 H26 H7 49.0 4_475 4_475 4_475 no C17 H26 H15 12.8 4_475 4_475 4_475 no C17 H26 H20 124.3 4_475 4_475 4_475 no C17 H26 H23 132.2 4_475 4_475 4_475 no C17 H26 H27 92.0 4_475 4_475 4_475 no C17 H26 H30 91.3 4_475 4_475 4_475 no C17 H26 H31 50.4 4_475 4_475 4_475 no C17 H26 H32 121.0 4_475 4_475 4_475 no C25 H26 C26 21.2 . . . no C25 H26 C27 41.5 . . . no C25 H26 C28 55.1 . . . no C25 H26 C29 19.0 . . . no C25 H26 C30 13.2 . . . no C25 H26 C31 88.9 . . . no C25 H26 C32 88.3 . . . no C25 H26 C33 101.5 . . . no C25 H26 C34 116.8 . . . no C25 H26 C35 122.7 . . . no C25 H26 C35 107.2 . . . no C25 H26 C36 113.7 . . . no C25 H26 C36 86.5 . . . no C25 H26 H6 157.1 . . . no C25 H26 H7 129.6 . . . no C25 H26 H15 89.8 . . . no C25 H26 H20 57.0 . . . no C25 H26 H23 57.4 . . . no C25 H26 H27 39.7 . . . no C25 H26 H30 135.7 . . . no C25 H26 H31 115.5 . . . no C25 H26 H32 120.0 . . . no C26 H26 C27 20.3 . . . no C26 H26 C28 33.9 . . . no C26 H26 C29 2.4 . . . no C26 H26 C30 34.4 . . . no C26 H26 C31 67.7 . . . no C26 H26 C32 67.4 . . . no C26 H26 C33 122.7 . . . no C26 H26 C34 136.5 . . . no C26 H26 C35 102.0 . . . no C26 H26 C35 121.7 . . . no C26 H26 C36 93.3 . . . no C26 H26 C36 101.8 . . . no C26 H26 H6 142.4 . . . no C26 H26 H7 118.2 . . . no C26 H26 H15 82.4 . . . no C26 H26 H20 48.6 . . . no C26 H26 H23 71.6 . . . no C26 H26 H27 60.9 . . . no C26 H26 H30 155.6 . . . no C26 H26 H31 124.1 . . . no C26 H26 H32 103.4 . . . no C27 H26 C28 13.5 . . . no C27 H26 C29 22.5 . . . no C27 H26 C30 54.7 . . . no C27 H26 C31 47.4 . . . no C27 H26 C32 47.4 . . . no C27 H26 C33 143.0 . . . no C27 H26 C34 153.5 . . . no C27 H26 C35 82.1 . . . no C27 H26 C35 132.6 . . . no C27 H26 C36 73.9 . . . no C27 H26 C36 115.5 . . . no C27 H26 H6 124.6 . . . no C27 H26 H7 104.6 . . . no C27 H26 H15 76.1 . . . no C27 H26 H20 46.6 . . . no C27 H26 H23 86.5 . . . no C27 H26 H27 81.2 . . . no C27 H26 H30 168.8 . . . no C27 H26 H31 127.7 . . . no C27 H26 H32 87.0 . . . no C28 H26 C29 36.0 . . . no C28 H26 C30 68.2 . . . no C28 H26 C31 33.9 . . . no C28 H26 C32 34.1 . . . no C28 H26 C33 156.5 . . . no C28 H26 C34 160.9 . . . no C28 H26 C35 68.9 . . . no C28 H26 C35 136.7 . . . no C28 H26 C36 61.2 . . . no C28 H26 C36 123.3 . . . no C28 H26 H6 111.9 . . . no C28 H26 H7 94.7 . . . no C28 H26 H15 72.3 . . . no C28 H26 H20 49.3 . . . no C28 H26 H23 97.0 . . . no C28 H26 H27 94.8 . . . no C28 H26 H30 163.5 . . . no C28 H26 H31 126.8 . . . no C28 H26 H32 76.3 . . . no C29 H26 C30 32.2 . . . no C29 H26 C31 69.9 . . . no C29 H26 C32 69.4 . . . no C29 H26 C33 120.5 . . . no C29 H26 C34 134.1 . . . no C29 H26 C35 104.3 . . . no C29 H26 C35 119.7 . . . no C29 H26 C36 95.7 . . . no C29 H26 C36 99.7 . . . no C29 H26 H6 143.7 . . . no C29 H26 H7 118.9 . . . no C29 H26 H15 82.4 . . . no C29 H26 H20 50.0 . . . no C29 H26 H23 70.6 . . . no C29 H26 H27 58.8 . . . no C29 H26 H30 153.3 . . . no C29 H26 H31 122.6 . . . no C29 H26 H32 105.7 . . . no C30 H26 C31 102.1 . . . no C30 H26 C32 101.4 . . . no C30 H26 C33 88.4 . . . no C30 H26 C34 104.5 . . . no C30 H26 C35 135.2 . . . no C30 H26 C35 98.0 . . . no C30 H26 C36 125.9 . . . no C30 H26 C36 77.6 . . . no C30 H26 H6 160.6 . . . no C30 H26 H7 134.8 . . . no C30 H26 H15 95.1 . . . no C30 H26 H20 63.7 . . . no C30 H26 H23 49.4 . . . no C30 H26 H27 26.5 . . . no C30 H26 H30 123.1 . . . no C30 H26 H31 109.2 . . . no C30 H26 H32 128.8 . . . no C31 H26 C32 9.3 . . . no C31 H26 C33 169.5 . . . no C31 H26 C34 148.4 . . . no C31 H26 C35 36.0 . . . no C31 H26 C35 134.4 . . . no C31 H26 C36 30.0 . . . no C31 H26 C36 136.3 . . . no C31 H26 H6 80.5 . . . no C31 H26 H7 71.3 . . . no C31 H26 H15 69.5 . . . no C31 H26 H20 64.0 . . . no C31 H26 H23 120.1 . . . no C31 H26 H27 128.6 . . . no C31 H26 H30 133.3 . . . no C31 H26 H31 116.9 . . . no C31 H26 H32 50.3 . . . no C32 H26 C33 165.5 . . . no C32 H26 C34 142.9 . . . no C32 H26 C35 40.4 . . . no C32 H26 C35 125.9 . . . no C32 H26 C36 36.3 . . . no C32 H26 C36 127.0 . . . no C32 H26 H6 78.0 . . . no C32 H26 H7 65.1 . . . no C32 H26 H15 60.1 . . . no C32 H26 H20 71.3 . . . no C32 H26 H23 126.7 . . . no C32 H26 H27 127.6 . . . no C32 H26 H30 130.9 . . . no C32 H26 H31 108.9 . . . no C32 H26 H32 57.9 . . . no C33 H26 C34 22.6 4_475 4_475 4_475 no C33 H26 C35 134.4 4_475 4_475 4_475 no C33 H26 C35 41.0 4_475 4_475 4_475 no C33 H26 C36 141.5 4_475 4_475 4_475 no C33 H26 C36 44.4 4_475 4_475 4_475 no C33 H26 H6 89.2 4_475 4_475 4_475 no C33 H26 H7 100.4 4_475 4_475 4_475 no C33 H26 H15 108.7 4_475 4_475 4_475 no C33 H26 H20 123.1 4_475 4_475 4_475 no C33 H26 H23 67.8 4_475 4_475 4_475 no C33 H26 H27 61.9 4_475 4_475 4_475 no C33 H26 H30 36.2 4_475 4_475 4_475 no C33 H26 H31 57.3 4_475 4_475 4_475 no C33 H26 H32 123.3 4_475 4_475 4_475 no C34 H26 C35 120.2 4_475 4_475 4_475 no C34 H26 C35 24.4 4_475 4_475 4_475 no C34 H26 C36 129.5 4_475 4_475 4_475 no C34 H26 C36 38.3 4_475 4_475 4_475 no C34 H26 H6 68.8 4_475 4_475 4_475 no C34 H26 H7 77.9 4_475 4_475 4_475 no C34 H26 H15 91.4 4_475 4_475 4_475 no C34 H26 H20 144.8 4_475 4_475 4_475 no C34 H26 H23 90.4 4_475 4_475 4_475 no C34 H26 H27 79.3 4_475 4_475 4_475 no C34 H26 H30 19.2 4_475 4_475 4_475 no C34 H26 H31 37.0 4_475 4_475 4_475 no C34 H26 H32 119.3 4_475 4_475 4_475 no C35 H26 C35 122.3 . . . no C35 H26 C36 9.8 . . . no C35 H26 C36 139.2 . . . no C35 H26 H6 54.4 . . . no C35 H26 H7 61.0 . . . no C35 H26 H15 83.8 . . . no C35 H26 H20 78.8 . . . no C35 H26 H23 125.7 . . . no C35 H26 H27 159.2 . . . no C35 H26 H30 101.5 . . . no C35 H26 H31 106.3 . . . no C35 H26 H32 24.4 . . . no C35 H26 C36 131.8 4_475 4_475 4_475 no C35 H26 C36 20.7 4_475 4_475 4_475 no C35 H26 H6 68.2 4_475 4_475 4_475 no C35 H26 H7 65.5 4_475 4_475 4_475 no C35 H26 H15 68.2 4_475 4_475 4_475 no C35 H26 H20 158.7 4_475 4_475 4_475 no C35 H26 H23 104.1 4_475 4_475 4_475 no C35 H26 H27 78.4 4_475 4_475 4_475 no C35 H26 H30 36.8 4_475 4_475 4_475 no C35 H26 H31 17.9 4_475 4_475 4_475 no C35 H26 H32 132.8 4_475 4_475 4_475 no C36 H26 C36 147.7 . . . no C36 H26 H6 64.2 . . . no C36 H26 H7 69.1 . . . no C36 H26 H15 87.1 . . . no C36 H26 H20 69.4 . . . no C36 H26 H23 118.8 . . . no C36 H26 H27 149.4 . . . no C36 H26 H30 110.6 . . . no C36 H26 H31 115.4 . . . no C36 H26 H32 22.5 . . . no C36 H26 H6 87.3 4_475 4_475 4_475 no C36 H26 H7 78.6 4_475 4_475 4_475 no C36 H26 H15 67.1 4_475 4_475 4_475 no C36 H26 H20 140.6 4_475 4_475 4_475 no C36 H26 H23 93.2 4_475 4_475 4_475 no C36 H26 H27 60.4 4_475 4_475 4_475 no C36 H26 H30 55.1 4_475 4_475 4_475 no C36 H26 H31 33.4 4_475 4_475 4_475 no C36 H26 H32 153.5 4_475 4_475 4_475 no H6 H26 H7 27.6 3_675 3_675 3_675 no H6 H26 H15 67.6 3_675 3_675 3_675 no H6 H26 H20 132.2 3_675 3_675 3_675 no H6 H26 H23 145.0 3_675 3_675 3_675 no H6 H26 H27 146.4 3_675 3_675 3_675 no H6 H26 H30 53.0 3_675 3_675 3_675 no H6 H26 H31 54.2 3_675 3_675 3_675 no H6 H26 H32 67.6 3_675 3_675 3_675 no H7 H26 H15 40.0 3_675 3_675 3_675 no H7 H26 H20 135.0 3_675 3_675 3_675 no H7 H26 H23 168.1 3_675 3_675 3_675 no H7 H26 H27 135.9 3_675 3_675 3_675 no H7 H26 H30 68.8 3_675 3_675 3_675 no H7 H26 H31 47.7 3_675 3_675 3_675 no H7 H26 H32 82.3 3_675 3_675 3_675 no H15 H26 H20 121.6 4_475 4_475 4_475 no H15 H26 H23 143.5 4_475 4_475 4_475 no H15 H26 H27 104.1 4_475 4_475 4_475 no H15 H26 H30 93.7 4_475 4_475 4_475 no H15 H26 H31 54.7 4_475 4_475 4_475 no H15 H26 H32 108.2 4_475 4_475 4_475 no H20 H26 H23 56.2 4_575 4_575 4_575 no H20 H26 H27 80.6 4_575 4_575 4_575 no H20 H26 H30 144.3 4_575 4_575 4_575 no H20 H26 H31 172.4 4_575 4_575 4_575 no H20 H26 H32 65.2 4_575 4_575 4_575 no H23 H26 H27 40.8 3_676 3_676 3_676 no H23 H26 H30 99.5 3_676 3_676 3_676 no H23 H26 H31 122.0 3_676 3_676 3_676 no H23 H26 H32 102.5 3_676 3_676 3_676 no H27 H26 H30 97.2 . . . no H27 H26 H31 93.8 . . . no H27 H26 H32 141.7 . . . no H30 H26 H31 41.1 4_475 4_475 4_475 no H30 H26 H32 100.7 4_475 4_475 4_475 no H31 H26 H32 121.7 4_475 4_475 4_475 no O2 H27 N3 38.9 . . . no O2 H27 N4 57.7 . . . no O2 H27 C19 19.7 . . . no O2 H27 C20 59.6 . . . no O2 H27 C22 52.7 . . . no O2 H27 C23 82.3 . . . no O2 H27 C24 61.4 . . . no O2 H27 C25 47.7 . . . no O2 H27 C26 54.9 . . . no O2 H27 C27 68.7 . . . no O2 H27 C27 100.4 . . . no O2 H27 C28 84.9 . . . no O2 H27 C28 122.4 . . . no O2 H27 C29 94.7 . . . no O2 H27 C30 68.1 . . . no O2 H27 C31 143.7 . . . no O2 H27 C32 135.6 . . . no O2 H27 C33 139.6 . . . no O2 H27 C34 156.3 . . . no O2 H27 C35 175.4 . . . no O2 H27 C36 162.0 . . . no O2 H27 H19 85.2 . . . no O2 H27 H20 95.6 . . . no O2 H27 H21 80.4 . . . no O2 H27 H23 52.6 . . . no O2 H27 H25 90.2 . . . no O2 H27 H26 114.5 . . . no O2 H27 H28 116.4 . . . no O2 H27 H29 125.3 . . . no O2 H27 H32 150.7 . . . no N3 H27 N4 73.7 . . . no N3 H27 C19 22.2 . . . no N3 H27 C20 22.3 . . . no N3 H27 C22 81.0 . . . no N3 H27 C23 43.4 . . . no N3 H27 C24 97.2 . . . no N3 H27 C25 30.9 . . . no N3 H27 C26 44.8 . . . no N3 H27 C27 65.1 . . . no N3 H27 C27 80.3 . . . no N3 H27 C28 86.4 . . . no N3 H27 C28 96.0 . . . no N3 H27 C29 98.6 . . . no N3 H27 C30 63.9 . . . no N3 H27 C31 118.8 . . . no N3 H27 C32 133.0 . . . no N3 H27 C33 157.5 . . . no N3 H27 C34 164.6 . . . no N3 H27 C35 143.8 . . . no N3 H27 C36 124.9 . . . no N3 H27 H19 48.5 . . . no N3 H27 H20 57.7 . . . no N3 H27 H21 114.4 . . . no N3 H27 H23 90.7 . . . no N3 H27 H25 79.7 . . . no N3 H27 H26 125.4 . . . no N3 H27 H28 119.5 . . . no N3 H27 H29 154.6 . . . no N3 H27 H32 112.0 . . . no N4 H27 C19 56.5 3_676 3_676 3_676 no N4 H27 C20 77.3 3_676 3_676 3_676 no N4 H27 C22 20.5 3_676 3_676 3_676 no N4 H27 C23 98.2 3_676 3_676 3_676 no N4 H27 C24 42.6 3_676 3_676 3_676 no N4 H27 C25 100.1 3_676 3_676 3_676 no N4 H27 C26 110.9 3_676 3_676 3_676 no N4 H27 C27 126.3 3_676 3_676 3_676 no N4 H27 C27 60.7 3_676 3_676 3_676 no N4 H27 C28 139.8 3_676 3_676 3_676 no N4 H27 C28 80.7 3_676 3_676 3_676 no N4 H27 C29 145.0 3_676 3_676 3_676 no N4 H27 C30 125.7 3_676 3_676 3_676 no N4 H27 C31 92.1 3_676 3_676 3_676 no N4 H27 C32 77.9 3_676 3_676 3_676 no N4 H27 C33 89.1 3_676 3_676 3_676 no N4 H27 C34 111.8 3_676 3_676 3_676 no N4 H27 C35 125.1 3_676 3_676 3_676 no N4 H27 C36 116.2 3_676 3_676 3_676 no N4 H27 H19 113.6 3_676 3_676 3_676 no N4 H27 H20 95.6 3_676 3_676 3_676 no N4 H27 H21 48.5 3_676 3_676 3_676 no N4 H27 H23 49.9 3_676 3_676 3_676 no N4 H27 H25 44.3 3_676 3_676 3_676 no N4 H27 H26 142.8 3_676 3_676 3_676 no N4 H27 H28 58.7 3_676 3_676 3_676 no N4 H27 H29 80.9 3_676 3_676 3_676 no N4 H27 H32 121.4 3_676 3_676 3_676 no C19 H27 C20 40.6 . . . no C19 H27 C22 59.9 . . . no C19 H27 C23 64.5 . . . no C19 H27 C24 74.9 . . . no C19 H27 C25 43.5 . . . no C19 H27 C26 55.2 . . . no C19 H27 C27 73.6 . . . no C19 H27 C27 84.3 . . . no C19 H27 C28 93.4 . . . no C19 H27 C28 104.8 . . . no C19 H27 C29 104.9 . . . no C19 H27 C30 72.6 . . . no C19 H27 C31 127.7 . . . no C19 H27 C32 129.7 . . . no C19 H27 C33 145.7 . . . no C19 H27 C34 168.3 . . . no C19 H27 C35 164.2 . . . no C19 H27 C36 142.3 . . . no C19 H27 H19 70.7 . . . no C19 H27 H20 76.4 . . . no C19 H27 H21 92.4 . . . no C19 H27 H23 68.9 . . . no C19 H27 H25 77.3 . . . no C19 H27 H26 129.1 . . . no C19 H27 H28 111.6 . . . no C19 H27 H29 135.5 . . . no C19 H27 H32 131.6 . . . no C20 H27 C22 91.1 . . . no C20 H27 C23 24.8 . . . no C20 H27 C24 111.7 . . . no C20 H27 C25 45.0 . . . no C20 H27 C26 58.0 . . . no C20 H27 C27 77.1 . . . no C20 H27 C27 62.3 . . . no C20 H27 C28 97.2 . . . no C20 H27 C28 74.8 . . . no C20 H27 C29 108.6 . . . no C20 H27 C30 75.9 . . . no C20 H27 C31 97.0 . . . no C20 H27 C32 114.9 . . . no C20 H27 C33 140.4 . . . no C20 H27 C34 142.7 . . . no C20 H27 C35 123.8 . . . no C20 H27 C36 103.2 . . . no C20 H27 H19 36.7 . . . no C20 H27 H20 36.0 . . . no C20 H27 H21 124.9 . . . no C20 H27 H23 108.5 . . . no C20 H27 H25 66.4 . . . no C20 H27 H26 133.5 . . . no C20 H27 H28 106.4 . . . no C20 H27 H29 147.4 . . . no C20 H27 H32 91.1 . . . no C22 H27 C23 114.6 3_676 3_676 3_676 no C22 H27 C24 22.9 3_676 3_676 3_676 no C22 H27 C25 100.2 3_676 3_676 3_676 no C22 H27 C26 107.2 3_676 3_676 3_676 no C22 H27 C27 116.7 3_676 3_676 3_676 no C22 H27 C27 80.4 3_676 3_676 3_676 no C22 H27 C28 123.7 3_676 3_676 3_676 no C22 H27 C28 98.9 3_676 3_676 3_676 no C22 H27 C29 126.1 3_676 3_676 3_676 no C22 H27 C30 116.5 3_676 3_676 3_676 no C22 H27 C31 105.6 3_676 3_676 3_676 no C22 H27 C32 85.3 3_676 3_676 3_676 no C22 H27 C33 87.9 3_676 3_676 3_676 no C22 H27 C34 109.2 3_676 3_676 3_676 no C22 H27 C35 128.2 3_676 3_676 3_676 no C22 H27 C36 128.0 3_676 3_676 3_676 no C22 H27 H19 127.5 3_676 3_676 3_676 no C22 H27 H20 115.0 3_676 3_676 3_676 no C22 H27 H21 34.2 3_676 3_676 3_676 no C22 H27 H23 29.5 3_676 3_676 3_676 no C22 H27 H25 63.8 3_676 3_676 3_676 no C22 H27 H26 123.1 3_676 3_676 3_676 no C22 H27 H28 67.6 3_676 3_676 3_676 no C22 H27 H29 75.7 3_676 3_676 3_676 no C22 H27 H32 137.2 3_676 3_676 3_676 no C23 H27 C24 136.2 . . . no C23 H27 C25 51.9 . . . no C23 H27 C26 60.7 . . . no C23 H27 C27 74.6 . . . no C23 H27 C27 62.2 . . . no C23 H27 C28 89.9 . . . no C23 H27 C28 65.0 . . . no C23 H27 C29 98.5 . . . no C23 H27 C30 73.5 . . . no C23 H27 C31 83.0 . . . no C23 H27 C32 107.1 . . . no C23 H27 C33 128.7 . . . no C23 H27 C34 121.3 . . . no C23 H27 C35 100.5 . . . no C23 H27 C36 82.1 . . . no C23 H27 H19 17.3 . . . no C23 H27 H20 17.8 . . . no C23 H27 H21 146.6 . . . no C23 H27 H23 133.1 . . . no C23 H27 H25 73.2 . . . no C23 H27 H26 117.6 . . . no C23 H27 H28 106.9 . . . no C23 H27 H29 142.4 . . . no C23 H27 H32 68.7 . . . no C24 H27 C25 107.0 3_676 3_676 3_676 no C24 H27 C26 108.7 3_676 3_676 3_676 no C24 H27 C27 109.9 3_676 3_676 3_676 no C24 H27 C27 99.1 3_676 3_676 3_676 no C24 H27 C28 108.9 3_676 3_676 3_676 no C24 H27 C28 113.3 3_676 3_676 3_676 no C24 H27 C29 107.5 3_676 3_676 3_676 no C24 H27 C30 110.3 3_676 3_676 3_676 no C24 H27 C31 111.4 3_676 3_676 3_676 no C24 H27 C32 86.0 3_676 3_676 3_676 no C24 H27 C33 78.7 3_676 3_676 3_676 no C24 H27 C34 96.1 3_676 3_676 3_676 no C24 H27 C35 117.5 3_676 3_676 3_676 no C24 H27 C36 127.6 3_676 3_676 3_676 no C24 H27 H19 145.7 3_676 3_676 3_676 no C24 H27 H20 138.0 3_676 3_676 3_676 no C24 H27 H21 19.2 3_676 3_676 3_676 no C24 H27 H23 13.3 3_676 3_676 3_676 no C24 H27 H25 82.7 3_676 3_676 3_676 no C24 H27 H26 100.3 3_676 3_676 3_676 no C24 H27 H28 72.7 3_676 3_676 3_676 no C24 H27 H29 64.0 3_676 3_676 3_676 no C24 H27 H32 141.1 3_676 3_676 3_676 no C25 H27 C26 13.9 . . . no C25 H27 C27 34.3 . . . no C25 H27 C27 107.2 . . . no C25 H27 C28 55.5 . . . no C25 H27 C28 116.4 . . . no C25 H27 C29 67.7 . . . no C25 H27 C30 33.0 . . . no C25 H27 C31 134.3 . . . no C25 H27 C32 158.7 . . . no C25 H27 C33 170.7 . . . no C25 H27 C34 148.1 . . . no C25 H27 C35 131.7 . . . no C25 H27 C36 125.2 . . . no C25 H27 H19 44.5 . . . no C25 H27 H20 69.7 . . . no C25 H27 H21 126.2 . . . no C25 H27 H23 95.5 . . . no C25 H27 H25 109.8 . . . no C25 H27 H26 94.6 . . . no C25 H27 H28 150.2 . . . no C25 H27 H29 165.6 . . . no C25 H27 H32 111.2 . . . no C26 H27 C27 20.3 . . . no C26 H27 C27 119.8 . . . no C26 H27 C28 41.6 . . . no C26 H27 C28 125.4 . . . no C26 H27 C29 53.8 . . . no C26 H27 C30 19.1 . . . no C26 H27 C31 138.6 . . . no C26 H27 C32 165.1 . . . no C26 H27 C33 157.4 . . . no C26 H27 C34 136.1 . . . no C26 H27 C35 123.3 . . . no C26 H27 C36 122.9 . . . no C26 H27 H19 49.3 . . . no C26 H27 H20 78.1 . . . no C26 H27 H21 126.7 . . . no C26 H27 H23 95.9 . . . no C26 H27 H25 123.6 . . . no C26 H27 H26 80.7 . . . no C26 H27 H28 164.1 . . . no C26 H27 H29 154.3 . . . no C26 H27 H32 110.1 . . . no C27 H27 C27 136.7 . . . no C27 H27 C28 21.2 . . . no C27 H27 C28 134.6 . . . no C27 H27 C29 33.5 . . . no C27 H27 C30 1.3 . . . no C27 H27 C31 137.3 . . . no C27 H27 C32 155.6 . . . no C27 H27 C33 137.2 . . . no C27 H27 C34 117.1 . . . no C27 H27 C35 108.4 . . . no C27 H27 C36 115.2 . . . no C27 H27 H19 59.7 . . . no C27 H27 H20 90.4 . . . no C27 H27 H21 123.9 . . . no C27 H27 H23 96.7 . . . no C27 H27 H25 143.5 . . . no C27 H27 H26 60.3 . . . no C27 H27 H28 174.7 . . . no C27 H27 H29 135.4 . . . no C27 H27 H32 105.5 . . . no C27 H27 C28 150.2 4_475 4_475 4_475 no C27 H27 C28 22.6 4_475 4_475 4_475 no C27 H27 C29 153.2 4_475 4_475 4_475 no C27 H27 C30 135.5 4_475 4_475 4_475 no C27 H27 C31 43.6 4_475 4_475 4_475 no C27 H27 C32 53.0 4_475 4_475 4_475 no C27 H27 C33 78.6 4_475 4_475 4_475 no C27 H27 C34 89.9 4_475 4_475 4_475 no C27 H27 C35 84.1 4_475 4_475 4_475 no C27 H27 C36 64.2 4_475 4_475 4_475 no C27 H27 H19 78.1 4_475 4_475 4_475 no C27 H27 H20 47.7 4_475 4_475 4_475 no C27 H27 H21 93.2 4_475 4_475 4_475 no C27 H27 H23 109.6 4_475 4_475 4_475 no C27 H27 H25 16.7 4_475 4_475 4_475 no C27 H27 H26 144.9 4_475 4_475 4_475 no C27 H27 H28 45.5 4_475 4_475 4_475 no C27 H27 H29 85.9 4_475 4_475 4_475 no C27 H27 H32 63.2 4_475 4_475 4_475 no C28 H27 C28 137.0 . . . no C28 H27 C29 12.3 . . . no C28 H27 C30 22.5 . . . no C28 H27 C31 128.1 . . . no C28 H27 C32 136.9 . . . no C28 H27 C33 116.0 . . . no C28 H27 C34 96.7 . . . no C28 H27 C35 91.4 . . . no C28 H27 C36 103.9 . . . no C28 H27 H19 73.2 . . . no C28 H27 H20 102.8 . . . no C28 H27 H21 116.6 . . . no C28 H27 H23 97.0 . . . no C28 H27 H25 162.9 . . . no C28 H27 H26 39.1 . . . no C28 H27 H28 154.0 . . . no C28 H27 H29 115.0 . . . no C28 H27 H32 98.4 . . . no C28 H27 C29 134.2 4_475 4_475 4_475 no C28 H27 C30 133.8 4_475 4_475 4_475 no C28 H27 C31 23.3 4_475 4_475 4_475 no C28 H27 C32 42.3 4_475 4_475 4_475 no C28 H27 C33 66.4 4_475 4_475 4_475 no C28 H27 C34 71.5 4_475 4_475 4_475 no C28 H27 C35 62.2 4_475 4_475 4_475 no C28 H27 C36 41.6 4_475 4_475 4_475 no C28 H27 H19 76.7 4_475 4_475 4_475 no C28 H27 H20 47.3 4_475 4_475 4_475 no C28 H27 H21 101.5 4_475 4_475 4_475 no C28 H27 H23 125.8 4_475 4_475 4_475 no C28 H27 H25 36.9 4_475 4_475 4_475 no C28 H27 H26 122.4 4_475 4_475 4_475 no C28 H27 H28 44.7 4_475 4_475 4_475 no C28 H27 H29 78.0 4_475 4_475 4_475 no C28 H27 H32 41.2 4_475 4_475 4_475 no C29 H27 C30 34.7 . . . no C29 H27 C31 120.3 . . . no C29 H27 C32 125.2 . . . no C29 H27 C33 103.7 . . . no C29 H27 C34 84.8 . . . no C29 H27 C35 81.3 . . . no C29 H27 C36 96.4 . . . no C29 H27 H19 81.3 . . . no C29 H27 H20 109.1 . . . no C29 H27 H21 111.1 . . . no C29 H27 H23 97.2 . . . no C29 H27 H25 169.8 . . . no C29 H27 H26 26.8 . . . no C29 H27 H28 141.7 . . . no C29 H27 H29 103.2 . . . no C29 H27 H32 93.3 . . . no C30 H27 C31 137.2 . . . no C30 H27 C32 156.3 . . . no C30 H27 C33 138.4 . . . no C30 H27 C34 118.2 . . . no C30 H27 C35 109.1 . . . no C30 H27 C36 115.5 . . . no C30 H27 H19 58.7 . . . no C30 H27 H20 89.4 . . . no C30 H27 H21 124.5 . . . no C30 H27 H23 97.0 . . . no C30 H27 H25 142.2 . . . no C30 H27 H26 61.6 . . . no C30 H27 H28 175.5 . . . no C30 H27 H29 136.7 . . . no C30 H27 H32 105.5 . . . no C31 H27 C32 26.6 4_475 4_475 4_475 no C31 H27 C33 45.9 4_475 4_475 4_475 no C31 H27 C34 48.2 4_475 4_475 4_475 no C31 H27 C35 40.8 4_475 4_475 4_475 no C31 H27 C36 24.1 4_475 4_475 4_475 no C31 H27 H19 90.3 4_475 4_475 4_475 no C31 H27 H20 65.4 4_475 4_475 4_475 no C31 H27 H21 94.5 4_475 4_475 4_475 no C31 H27 H23 124.6 4_475 4_475 4_475 no C31 H27 H25 53.7 4_475 4_475 4_475 no C31 H27 H26 101.7 4_475 4_475 4_475 no C31 H27 H28 39.2 4_475 4_475 4_475 no C31 H27 H29 59.6 4_475 4_475 4_475 no C31 H27 H32 31.8 4_475 4_475 4_475 no C32 H27 C33 25.6 4_475 4_475 4_475 no C32 H27 C34 40.6 4_475 4_475 4_475 no C32 H27 C35 47.3 4_475 4_475 4_475 no C32 H27 C36 43.2 4_475 4_475 4_475 no C32 H27 H19 116.6 4_475 4_475 4_475 no C32 H27 H20 89.3 4_475 4_475 4_475 no C32 H27 H21 68.2 4_475 4_475 4_475 no C32 H27 H23 98.9 4_475 4_475 4_475 no C32 H27 H25 54.1 4_475 4_475 4_475 no C32 H27 H26 99.6 4_475 4_475 4_475 no C32 H27 H28 19.2 4_475 4_475 4_475 no C32 H27 H29 35.7 4_475 4_475 4_475 no C32 H27 H32 55.4 4_475 4_475 4_475 no C33 H27 C34 22.6 4_475 4_475 4_475 no C33 H27 C35 40.5 4_475 4_475 4_475 no C33 H27 C36 50.2 4_475 4_475 4_475 no C33 H27 H19 132.6 4_475 4_475 4_475 no C33 H27 H20 111.3 4_475 4_475 4_475 no C33 H27 H21 59.5 4_475 4_475 4_475 no C33 H27 H23 89.1 4_475 4_475 4_475 no C33 H27 H25 77.9 4_475 4_475 4_475 no C33 H27 H26 76.9 4_475 4_475 4_475 no C33 H27 H28 38.1 4_475 4_475 4_475 no C33 H27 H29 15.3 4_475 4_475 4_475 no C33 H27 H32 64.4 4_475 4_475 4_475 no C34 H27 C35 21.6 4_475 4_475 4_475 no C34 H27 C36 39.7 4_475 4_475 4_475 no C34 H27 H19 118.0 4_475 4_475 4_475 no C34 H27 H20 107.0 4_475 4_475 4_475 no C34 H27 H21 77.7 4_475 4_475 4_475 no C34 H27 H23 103.9 4_475 4_475 4_475 no C34 H27 H25 94.4 4_475 4_475 4_475 no C34 H27 H26 59.2 4_475 4_475 4_475 no C34 H27 H28 57.7 4_475 4_475 4_475 no C34 H27 H29 33.6 4_475 4_475 4_475 no C34 H27 H32 52.6 4_475 4_475 4_475 no C35 H27 C36 22.3 4_475 4_475 4_475 no C35 H27 H19 96.4 4_475 4_475 4_475 no C35 H27 H20 87.9 4_475 4_475 4_475 no C35 H27 H21 98.8 4_475 4_475 4_475 no C35 H27 H23 125.4 4_475 4_475 4_475 no C35 H27 H25 94.1 4_475 4_475 4_475 no C35 H27 H26 61.0 4_475 4_475 4_475 no C35 H27 H28 66.4 4_475 4_475 4_475 no C35 H27 H29 54.0 4_475 4_475 4_475 no C35 H27 H32 32.7 4_475 4_475 4_475 no C36 H27 H19 82.5 4_475 4_475 4_475 no C36 H27 H20 67.3 4_475 4_475 4_475 no C36 H27 H21 108.5 4_475 4_475 4_475 no C36 H27 H23 139.1 4_475 4_475 4_475 no C36 H27 H25 76.7 4_475 4_475 4_475 no C36 H27 H26 80.8 4_475 4_475 4_475 no C36 H27 H28 60.4 4_475 4_475 4_475 no C36 H27 H29 65.5 4_475 4_475 4_475 no C36 H27 H32 14.2 4_475 4_475 4_475 no H19 H27 H20 30.7 . . . no H19 H27 H21 161.6 . . . no H19 H27 H23 137.7 . . . no H19 H27 H25 90.2 . . . no H19 H27 H26 100.8 . . . no H19 H27 H28 120.9 . . . no H19 H27 H29 147.9 . . . no H19 H27 H32 68.3 . . . no H20 H27 H21 139.7 . . . no H20 H27 H23 140.8 . . . no H20 H27 H25 61.3 . . . no H20 H27 H26 121.6 . . . no H20 H27 H28 90.4 . . . no H20 H27 H29 124.7 . . . no H20 H27 H32 55.2 . . . no H21 H27 H23 31.0 3_676 3_676 3_676 no H21 H27 H25 78.5 3_676 3_676 3_676 no H21 H27 H26 95.6 3_676 3_676 3_676 no H21 H27 H28 57.5 3_676 3_676 3_676 no H21 H27 H29 44.9 3_676 3_676 3_676 no H21 H27 H32 122.4 3_676 3_676 3_676 no H23 H27 H25 92.9 3_676 3_676 3_676 no H23 H27 H26 94.9 3_676 3_676 3_676 no H23 H27 H28 86.0 3_676 3_676 3_676 no H23 H27 H29 73.9 3_676 3_676 3_676 no H23 H27 H32 153.2 3_676 3_676 3_676 no H25 H27 H26 153.5 4_475 4_475 4_475 no H25 H27 H28 40.4 4_475 4_475 4_475 no H25 H27 H29 81.1 4_475 4_475 4_475 no H25 H27 H32 78.2 4_475 4_475 4_475 no H26 H27 H28 115.0 . . . no H26 H27 H29 76.9 . . . no H26 H27 H32 83.6 . . . no H28 H27 H29 41.0 4_475 4_475 4_475 no H28 H27 H32 70.8 4_475 4_475 4_475 no H29 H27 H32 79.7 4_475 4_475 4_475 no N4 H28 C13 113.3 2_656 2_656 2_656 no N4 H28 C14 101.2 2_656 2_656 2_656 no N4 H28 C15 76.6 2_656 2_656 2_656 no N4 H28 C22 18.5 2_656 2_656 2_656 no N4 H28 C24 38.9 2_656 2_656 2_656 no N4 H28 C26 71.0 2_656 2_656 2_656 no N4 H28 C27 72.2 2_656 2_656 2_656 no N4 H28 C28 100.4 2_656 2_656 2_656 no N4 H28 C29 108.3 2_656 2_656 2_656 no N4 H28 C31 117.7 2_656 2_656 2_656 no N4 H28 C32 125.6 2_656 2_656 2_656 no N4 H28 C33 118.4 2_656 2_656 2_656 no N4 H28 C34 123.3 2_656 2_656 2_656 no N4 H28 C35 124.7 2_656 2_656 2_656 no N4 H28 C36 121.1 2_656 2_656 2_656 no N4 H28 H9 150.2 2_656 2_656 2_656 no N4 H28 H12 107.4 2_656 2_656 2_656 no N4 H28 H13 60.4 2_656 2_656 2_656 no N4 H28 H14 104.5 2_656 2_656 2_656 no N4 H28 H15 142.1 2_656 2_656 2_656 no N4 H28 H21 50.6 2_656 2_656 2_656 no N4 H28 H22 71.8 2_656 2_656 2_656 no N4 H28 H23 42.5 2_656 2_656 2_656 no N4 H28 H25 48.9 2_656 2_656 2_656 no N4 H28 H27 63.2 2_656 2_656 2_656 no N4 H28 H29 107.0 2_656 2_656 2_656 no C13 H28 C14 18.2 1_565 1_565 1_565 no C13 H28 C15 37.2 1_565 1_565 1_565 no C13 H28 C22 99.6 1_565 1_565 1_565 no C13 H28 C24 93.1 1_565 1_565 1_565 no C13 H28 C26 146.6 1_565 1_565 1_565 no C13 H28 C27 155.1 1_565 1_565 1_565 no C13 H28 C28 144.0 1_565 1_565 1_565 no C13 H28 C29 134.8 1_565 1_565 1_565 no C13 H28 C31 126.3 1_565 1_565 1_565 no C13 H28 C32 100.1 1_565 1_565 1_565 no C13 H28 C33 71.4 1_565 1_565 1_565 no C13 H28 C34 83.0 1_565 1_565 1_565 no C13 H28 C35 100.1 1_565 1_565 1_565 no C13 H28 C36 117.0 1_565 1_565 1_565 no C13 H28 H9 42.7 1_565 1_565 1_565 no C13 H28 H12 33.2 1_565 1_565 1_565 no C13 H28 H13 56.0 1_565 1_565 1_565 no C13 H28 H14 98.6 1_565 1_565 1_565 no C13 H28 H15 85.5 1_565 1_565 1_565 no C13 H28 H21 79.8 1_565 1_565 1_565 no C13 H28 H22 75.1 1_565 1_565 1_565 no C13 H28 H23 105.9 1_565 1_565 1_565 no C13 H28 H25 152.2 1_565 1_565 1_565 no C13 H28 H27 131.3 1_565 1_565 1_565 no C13 H28 H29 53.0 1_565 1_565 1_565 no C14 H28 C15 25.7 1_565 1_565 1_565 no C14 H28 C22 91.3 1_565 1_565 1_565 no C14 H28 C24 91.5 1_565 1_565 1_565 no C14 H28 C26 131.3 1_565 1_565 1_565 no C14 H28 C27 140.5 1_565 1_565 1_565 no C14 H28 C28 145.3 1_565 1_565 1_565 no C14 H28 C29 136.4 1_565 1_565 1_565 no C14 H28 C31 141.0 1_565 1_565 1_565 no C14 H28 C32 118.2 1_565 1_565 1_565 no C14 H28 C33 89.0 1_565 1_565 1_565 no C14 H28 C34 101.2 1_565 1_565 1_565 no C14 H28 C35 118.3 1_565 1_565 1_565 no C14 H28 C36 134.0 1_565 1_565 1_565 no C14 H28 H9 50.6 1_565 1_565 1_565 no C14 H28 H12 20.9 1_565 1_565 1_565 no C14 H28 H13 41.0 1_565 1_565 1_565 no C14 H28 H14 89.0 1_565 1_565 1_565 no C14 H28 H15 87.3 1_565 1_565 1_565 no C14 H28 H21 80.3 1_565 1_565 1_565 no C14 H28 H22 57.3 1_565 1_565 1_565 no C14 H28 H23 106.7 1_565 1_565 1_565 no C14 H28 H25 134.0 1_565 1_565 1_565 no C14 H28 H27 139.6 1_565 1_565 1_565 no C14 H28 H29 68.5 1_565 1_565 1_565 no C15 H28 C22 65.6 1_565 1_565 1_565 no C15 H28 C24 67.5 1_565 1_565 1_565 no C15 H28 C26 127.2 1_565 1_565 1_565 no C15 H28 C27 135.2 1_565 1_565 1_565 no C15 H28 C28 160.4 1_565 1_565 1_565 no C15 H28 C29 155.6 1_565 1_565 1_565 no C15 H28 C31 162.5 1_565 1_565 1_565 no C15 H28 C32 129.6 1_565 1_565 1_565 no C15 H28 C33 94.1 1_565 1_565 1_565 no C15 H28 C34 108.7 1_565 1_565 1_565 no C15 H28 C35 129.2 1_565 1_565 1_565 no C15 H28 C36 149.9 1_565 1_565 1_565 no C15 H28 H9 76.1 1_565 1_565 1_565 no C15 H28 H12 41.5 1_565 1_565 1_565 no C15 H28 H13 20.0 1_565 1_565 1_565 no C15 H28 H14 102.4 1_565 1_565 1_565 no C15 H28 H15 111.4 1_565 1_565 1_565 no C15 H28 H21 58.2 1_565 1_565 1_565 no C15 H28 H22 55.3 1_565 1_565 1_565 no C15 H28 H23 83.5 1_565 1_565 1_565 no C15 H28 H25 117.9 1_565 1_565 1_565 no C15 H28 H27 119.0 1_565 1_565 1_565 no C15 H28 H29 69.2 1_565 1_565 1_565 no C22 H28 C24 22.2 2_656 2_656 2_656 no C22 H28 C26 89.3 2_656 2_656 2_656 no C22 H28 C27 89.8 2_656 2_656 2_656 no C22 H28 C28 115.9 2_656 2_656 2_656 no C22 H28 C29 124.6 2_656 2_656 2_656 no C22 H28 C31 124.9 2_656 2_656 2_656 no C22 H28 C32 119.9 2_656 2_656 2_656 no C22 H28 C33 103.0 2_656 2_656 2_656 no C22 H28 C34 111.0 2_656 2_656 2_656 no C22 H28 C35 118.8 2_656 2_656 2_656 no C22 H28 C36 123.2 2_656 2_656 2_656 no C22 H28 H9 141.6 2_656 2_656 2_656 no C22 H28 H12 103.2 2_656 2_656 2_656 no C22 H28 H13 54.0 2_656 2_656 2_656 no C22 H28 H14 120.4 2_656 2_656 2_656 no C22 H28 H15 158.5 2_656 2_656 2_656 no C22 H28 H21 32.4 2_656 2_656 2_656 no C22 H28 H22 78.5 2_656 2_656 2_656 no C22 H28 H23 31.3 2_656 2_656 2_656 no C22 H28 H25 66.6 2_656 2_656 2_656 no C22 H28 H27 62.0 2_656 2_656 2_656 no C22 H28 H29 88.9 2_656 2_656 2_656 no C24 H28 C26 105.6 2_656 2_656 2_656 no C24 H28 C27 103.5 2_656 2_656 2_656 no C24 H28 C28 122.0 2_656 2_656 2_656 no C24 H28 C29 131.3 2_656 2_656 2_656 no C24 H28 C31 116.4 2_656 2_656 2_656 no C24 H28 C32 100.9 2_656 2_656 2_656 no C24 H28 C33 80.8 2_656 2_656 2_656 no C24 H28 C34 89.3 2_656 2_656 2_656 no C24 H28 C35 99.7 2_656 2_656 2_656 no C24 H28 C36 109.6 2_656 2_656 2_656 no C24 H28 H9 134.6 2_656 2_656 2_656 no C24 H28 H12 109.0 2_656 2_656 2_656 no C24 H28 H13 63.5 2_656 2_656 2_656 no C24 H28 H14 142.6 2_656 2_656 2_656 no C24 H28 H15 178.6 2_656 2_656 2_656 no C24 H28 H21 14.0 2_656 2_656 2_656 no C24 H28 H22 97.2 2_656 2_656 2_656 no C24 H28 H23 16.2 2_656 2_656 2_656 no C24 H28 H25 81.9 2_656 2_656 2_656 no C24 H28 H27 52.2 2_656 2_656 2_656 no C24 H28 H29 68.4 2_656 2_656 2_656 no C26 H28 C27 9.2 . . . no C26 H28 C28 36.8 . . . no C26 H28 C29 41.0 . . . no C26 H28 C31 69.4 . . . no C26 H28 C32 103.1 . . . no C26 H28 C33 137.9 . . . no C26 H28 C34 123.7 . . . no C26 H28 C35 103.5 . . . no C26 H28 C36 82.8 . . . no C26 H28 H9 118.0 . . . no C26 H28 H12 113.5 . . . no C26 H28 H13 108.1 . . . no C26 H28 H14 50.4 . . . no C26 H28 H15 75.8 . . . no C26 H28 H21 119.4 . . . no C26 H28 H22 75.3 . . . no C26 H28 H23 98.4 . . . no C26 H28 H25 23.7 . . . no C26 H28 H27 81.2 . . . no C26 H28 H29 160.2 . . . no C27 H28 C28 30.9 . . . no C27 H28 C29 36.9 . . . no C27 H28 C31 62.0 . . . no C27 H28 C32 94.9 . . . no C27 H28 C33 129.0 . . . no C27 H28 C34 115.2 . . . no C27 H28 C35 95.3 . . . no C27 H28 C36 74.9 . . . no C27 H28 H9 121.5 . . . no C27 H28 H12 122.2 . . . no C27 H28 H13 115.5 . . . no C27 H28 H14 57.1 . . . no C27 H28 H15 77.9 . . . no C27 H28 H21 117.5 . . . no C27 H28 H22 84.4 . . . no C27 H28 H23 94.2 . . . no C27 H28 H25 23.3 . . . no C27 H28 H27 73.4 . . . no C27 H28 H29 151.1 . . . no C28 H28 C29 9.4 . . . no C28 H28 C31 33.5 . . . no C28 H28 C32 68.0 . . . no C28 H28 C33 104.2 . . . no C28 H28 C34 89.3 . . . no C28 H28 C35 68.6 . . . no C28 H28 C36 47.5 . . . no C28 H28 H9 101.2 . . . no C28 H28 H12 125.1 . . . no C28 H28 H13 144.1 . . . no C28 H28 H14 59.2 . . . no C28 H28 H15 59.3 . . . no C28 H28 H21 134.2 . . . no C28 H28 H22 105.2 . . . no C28 H28 H23 107.6 . . . no C28 H28 H25 52.7 . . . no C28 H28 H27 74.9 . . . no C28 H28 H29 129.3 . . . no C29 H28 C31 34.0 . . . no C29 H28 C32 67.9 . . . no C29 H28 C33 103.7 . . . no C29 H28 C34 88.9 . . . no C29 H28 C35 68.6 . . . no C29 H28 C36 47.9 . . . no C29 H28 H9 92.1 . . . no C29 H28 H12 116.7 . . . no C29 H28 H13 144.0 . . . no C29 H28 H14 53.2 . . . no C29 H28 H15 50.0 . . . no C29 H28 H21 143.3 . . . no C29 H28 H22 102.6 . . . no C29 H28 H23 116.7 . . . no C29 H28 H25 59.8 . . . no C29 H28 H27 83.2 . . . no C29 H28 H29 128.5 . . . no C31 H28 C32 34.5 . . . no C31 H28 C33 70.7 . . . no C31 H28 C34 55.7 . . . no C31 H28 C35 35.1 . . . no C31 H28 C36 14.1 . . . no C31 H28 H9 91.4 . . . no C31 H28 H12 131.9 . . . no C31 H28 H13 177.4 . . . no C31 H28 H14 84.4 . . . no C31 H28 H15 64.4 . . . no C31 H28 H21 121.6 . . . no C31 H28 H22 136.3 . . . no C31 H28 H23 100.4 . . . no C31 H28 H25 79.5 . . . no C31 H28 H27 64.8 . . . no C31 H28 H29 95.8 . . . no C32 H28 C33 36.2 . . . no C32 H28 C34 21.2 . . . no C32 H28 C35 1.1 . . . no C32 H28 C36 20.5 . . . no C32 H28 H9 81.8 . . . no C32 H28 H12 123.0 . . . no C32 H28 H13 147.8 . . . no C32 H28 H14 111.7 . . . no C32 H28 H15 79.1 . . . no C32 H28 H21 98.8 . . . no C32 H28 H22 161.6 . . . no C32 H28 H23 88.7 . . . no C32 H28 H25 107.7 . . . no C32 H28 H27 62.4 . . . no C32 H28 H29 61.3 . . . no C33 H28 C34 14.9 . . . no C33 H28 C35 35.5 . . . no C33 H28 C36 56.7 . . . no C33 H28 H9 75.4 . . . no C33 H28 H12 102.7 . . . no C33 H28 H13 111.6 . . . no C33 H28 H14 136.6 . . . no C33 H28 H15 98.4 . . . no C33 H28 H21 72.5 . . . no C33 H28 H22 146.3 . . . no C33 H28 H23 76.2 . . . no C33 H28 H25 133.7 . . . no C33 H28 H27 70.2 . . . no C33 H28 H29 25.1 . . . no C34 H28 C35 20.6 . . . no C34 H28 C36 41.7 . . . no C34 H28 H9 77.3 . . . no C34 H28 H12 111.7 . . . no C34 H28 H13 126.6 . . . no C34 H28 H14 127.3 . . . no C34 H28 H15 90.2 . . . no C34 H28 H21 83.4 . . . no C34 H28 H22 157.5 . . . no C34 H28 H23 81.2 . . . no C34 H28 H25 124.0 . . . no C34 H28 H27 66.0 . . . no C34 H28 H29 40.0 . . . no C35 H28 C36 21.1 . . . no C35 H28 H9 82.5 . . . no C35 H28 H12 123.5 . . . no C35 H28 H13 147.1 . . . no C35 H28 H14 112.8 . . . no C35 H28 H15 80.2 . . . no C35 H28 H21 97.6 . . . no C35 H28 H22 162.7 . . . no C35 H28 H23 87.6 . . . no C35 H28 H25 107.7 . . . no C35 H28 H27 61.6 . . . no C35 H28 H29 60.6 . . . no C36 H28 H9 88.6 . . . no C36 H28 H12 131.5 . . . no C36 H28 H13 168.1 . . . no C36 H28 H14 96.4 . . . no C36 H28 H15 70.8 . . . no C36 H28 H21 111.9 . . . no C36 H28 H22 149.1 . . . no C36 H28 H23 94.6 . . . no C36 H28 H25 90.2 . . . no C36 H28 H27 61.2 . . . no C36 H28 H29 81.8 . . . no H9 H28 H12 42.9 1_565 1_565 1_565 no H9 H28 H13 90.3 1_565 1_565 1_565 no H9 H28 H14 70.2 1_565 1_565 1_565 no H9 H28 H15 44.0 1_565 1_565 1_565 no H9 H28 H21 120.7 1_565 1_565 1_565 no H9 H28 H22 82.9 1_565 1_565 1_565 no H9 H28 H23 143.5 1_565 1_565 1_565 no H9 H28 H25 141.0 1_565 1_565 1_565 no H9 H28 H27 143.0 1_565 1_565 1_565 no H9 H28 H29 74.0 1_565 1_565 1_565 no H12 H28 H13 49.2 1_565 1_565 1_565 no H12 H28 H14 68.3 1_565 1_565 1_565 no H12 H28 H15 70.0 1_565 1_565 1_565 no H12 H28 H21 99.4 1_565 1_565 1_565 no H12 H28 H22 45.8 1_565 1_565 1_565 no H12 H28 H23 125.0 1_565 1_565 1_565 no H12 H28 H25 123.5 1_565 1_565 1_565 no H12 H28 H27 160.0 1_565 1_565 1_565 no H12 H28 H29 86.1 1_565 1_565 1_565 no H13 H28 H14 94.4 1_565 1_565 1_565 no H13 H28 H15 115.8 1_565 1_565 1_565 no H13 H28 H21 59.0 1_565 1_565 1_565 no H13 H28 H22 42.1 1_565 1_565 1_565 no H13 H28 H23 79.4 1_565 1_565 1_565 no H13 H28 H25 98.0 1_565 1_565 1_565 no H13 H28 H27 114.7 1_565 1_565 1_565 no H13 H28 H29 86.5 1_565 1_565 1_565 no H14 H28 H15 38.2 4_475 4_475 4_475 no H14 H28 H21 149.1 4_475 4_475 4_475 no H14 H28 H22 52.8 4_475 4_475 4_475 no H14 H28 H23 144.8 4_475 4_475 4_475 no H14 H28 H25 71.3 4_475 4_475 4_475 no H14 H28 H27 129.9 4_475 4_475 4_475 no H14 H28 H29 144.1 4_475 4_475 4_475 no H15 H28 H21 164.6 4_475 4_475 4_475 no H15 H28 H22 82.8 4_475 4_475 4_475 no H15 H28 H23 164.7 4_475 4_475 4_475 no H15 H28 H25 99.5 4_475 4_475 4_475 no H15 H28 H27 128.7 4_475 4_475 4_475 no H15 H28 H29 110.4 4_475 4_475 4_475 no H21 H28 H22 97.8 2_656 2_656 2_656 no H21 H28 H23 26.6 2_656 2_656 2_656 no H21 H28 H25 95.7 2_656 2_656 2_656 no H21 H28 H27 60.8 2_656 2_656 2_656 no H21 H28 H29 56.5 2_656 2_656 2_656 no H22 H28 H23 109.7 3_686 3_686 3_686 no H22 H28 H25 78.4 3_686 3_686 3_686 no H22 H28 H27 133.9 3_686 3_686 3_686 no H22 H28 H29 123.5 3_686 3_686 3_686 no H23 H28 H25 75.3 2_656 2_656 2_656 no H23 H28 H27 36.0 2_656 2_656 2_656 no H23 H28 H29 70.6 2_656 2_656 2_656 no H25 H28 H27 65.2 . . . no H25 H28 H29 144.2 . . . no H27 H28 H29 80.5 4_575 4_575 4_575 no C8 H29 C9 90.7 4_575 4_575 4_575 no C8 H29 C9 20.6 4_575 4_575 4_575 no C8 H29 C10 75.5 4_575 4_575 4_575 no C8 H29 C13 75.7 4_575 4_575 4_575 no C8 H29 C14 99.9 4_575 4_575 4_575 no C8 H29 C15 101.0 4_575 4_575 4_575 no C8 H29 C16 83.3 4_575 4_575 4_575 no C8 H29 C17 61.9 4_575 4_575 4_575 no C8 H29 C18 56.0 4_575 4_575 4_575 no C8 H29 C24 112.2 4_575 4_575 4_575 no C8 H29 C31 152.2 4_575 4_575 4_575 no C8 H29 C32 162.3 4_575 4_575 4_575 no C8 H29 C33 134.8 4_575 4_575 4_575 no C8 H29 C34 101.5 4_575 4_575 4_575 no C8 H29 C35 113.3 4_575 4_575 4_575 no C8 H29 C36 133.3 4_575 4_575 4_575 no C8 H29 H2 44.8 4_575 4_575 4_575 no C8 H29 H9 105.9 4_575 4_575 4_575 no C8 H29 H9 32.4 4_575 4_575 4_575 no C8 H29 H12 112.6 4_575 4_575 4_575 no C8 H29 H12 64.9 4_575 4_575 4_575 no C8 H29 H13 114.6 4_575 4_575 4_575 no C8 H29 H21 109.0 4_575 4_575 4_575 no C8 H29 H23 118.2 4_575 4_575 4_575 no C8 H29 H27 137.7 4_575 4_575 4_575 no C8 H29 H28 162.7 4_575 4_575 4_575 no C8 H29 H30 76.6 4_575 4_575 4_575 no C9 H29 C9 110.5 1_565 1_565 1_565 no C9 H29 C10 20.8 1_565 1_565 1_565 no C9 H29 C13 39.7 1_565 1_565 1_565 no C9 H29 C14 48.2 1_565 1_565 1_565 no C9 H29 C15 72.9 1_565 1_565 1_565 no C9 H29 C16 87.2 1_565 1_565 1_565 no C9 H29 C17 80.5 1_565 1_565 1_565 no C9 H29 C18 60.5 1_565 1_565 1_565 no C9 H29 C24 137.3 1_565 1_565 1_565 no C9 H29 C31 81.3 1_565 1_565 1_565 no C9 H29 C32 78.9 1_565 1_565 1_565 no C9 H29 C33 85.2 1_565 1_565 1_565 no C9 H29 C34 92.9 1_565 1_565 1_565 no C9 H29 C35 91.2 1_565 1_565 1_565 no C9 H29 C36 86.6 1_565 1_565 1_565 no C9 H29 H2 56.8 1_565 1_565 1_565 no C9 H29 H9 15.2 1_565 1_565 1_565 no C9 H29 H9 114.2 1_565 1_565 1_565 no C9 H29 H12 42.6 1_565 1_565 1_565 no C9 H29 H12 147.3 1_565 1_565 1_565 no C9 H29 H13 79.9 1_565 1_565 1_565 no C9 H29 H21 131.9 1_565 1_565 1_565 no C9 H29 H23 145.2 1_565 1_565 1_565 no C9 H29 H27 129.5 1_565 1_565 1_565 no C9 H29 H28 76.3 1_565 1_565 1_565 no C9 H29 H30 98.3 1_565 1_565 1_565 no C9 H29 C10 93.6 4_575 4_575 4_575 no C9 H29 C13 88.7 4_575 4_575 4_575 no C9 H29 C14 108.6 4_575 4_575 4_575 no C9 H29 C15 100.9 4_575 4_575 4_575 no C9 H29 C16 79.3 4_575 4_575 4_575 no C9 H29 C17 62.4 4_575 4_575 4_575 no C9 H29 C18 65.5 4_575 4_575 4_575 no C9 H29 C24 92.9 4_575 4_575 4_575 no C9 H29 C31 156.5 4_575 4_575 4_575 no C9 H29 C32 167.3 4_575 4_575 4_575 no C9 H29 C33 138.6 4_575 4_575 4_575 no C9 H29 C34 105.1 4_575 4_575 4_575 no C9 H29 C35 116.6 4_575 4_575 4_575 no C9 H29 C36 136.6 4_575 4_575 4_575 no C9 H29 H2 64.2 4_575 4_575 4_575 no C9 H29 H9 125.7 4_575 4_575 4_575 no C9 H29 H9 16.4 4_575 4_575 4_575 no C9 H29 H12 123.8 4_575 4_575 4_575 no C9 H29 H12 44.5 4_575 4_575 4_575 no C9 H29 H13 111.4 4_575 4_575 4_575 no C9 H29 H21 90.8 4_575 4_575 4_575 no C9 H29 H23 97.7 4_575 4_575 4_575 no C9 H29 H27 119.4 4_575 4_575 4_575 no C9 H29 H28 162.2 4_575 4_575 4_575 no C9 H29 H30 79.9 4_575 4_575 4_575 no C10 H29 C13 22.0 1_565 1_565 1_565 no C10 H29 C14 41.0 1_565 1_565 1_565 no C10 H29 C15 63.2 1_565 1_565 1_565 no C10 H29 C16 71.7 1_565 1_565 1_565 no C10 H29 C17 60.9 1_565 1_565 1_565 no C10 H29 C18 39.9 1_565 1_565 1_565 no C10 H29 C24 130.8 1_565 1_565 1_565 no C10 H29 C31 101.3 1_565 1_565 1_565 no C10 H29 C32 97.3 1_565 1_565 1_565 no C10 H29 C33 106.0 1_565 1_565 1_565 no C10 H29 C34 109.5 1_565 1_565 1_565 no C10 H29 C35 110.0 1_565 1_565 1_565 no C10 H29 C36 107.3 1_565 1_565 1_565 no C10 H29 H2 53.6 1_565 1_565 1_565 no C10 H29 H9 33.6 1_565 1_565 1_565 no C10 H29 H9 94.5 1_565 1_565 1_565 no C10 H29 H12 43.5 1_565 1_565 1_565 no C10 H29 H12 126.5 1_565 1_565 1_565 no C10 H29 H13 74.3 1_565 1_565 1_565 no C10 H29 H21 123.4 1_565 1_565 1_565 no C10 H29 H23 145.1 1_565 1_565 1_565 no C10 H29 H27 146.7 1_565 1_565 1_565 no C10 H29 H28 88.9 1_565 1_565 1_565 no C10 H29 H30 107.8 1_565 1_565 1_565 no C13 H29 C14 26.3 1_565 1_565 1_565 no C13 H29 C15 43.4 1_565 1_565 1_565 no C13 H29 C16 49.6 1_565 1_565 1_565 no C13 H29 C17 41.0 1_565 1_565 1_565 no C13 H29 C18 24.4 1_565 1_565 1_565 no C13 H29 C24 109.8 1_565 1_565 1_565 no C13 H29 C31 111.7 1_565 1_565 1_565 no C13 H29 C32 103.8 1_565 1_565 1_565 no C13 H29 C33 121.9 1_565 1_565 1_565 no C13 H29 C34 131.4 1_565 1_565 1_565 no C13 H29 C35 130.8 1_565 1_565 1_565 no C13 H29 C36 123.7 1_565 1_565 1_565 no C13 H29 H2 69.5 1_565 1_565 1_565 no C13 H29 H9 47.6 1_565 1_565 1_565 no C13 H29 H9 83.8 1_565 1_565 1_565 no C13 H29 H12 36.9 1_565 1_565 1_565 no C13 H29 H12 109.8 1_565 1_565 1_565 no C13 H29 H13 56.6 1_565 1_565 1_565 no C13 H29 H21 102.1 1_565 1_565 1_565 no C13 H29 H23 125.2 1_565 1_565 1_565 no C13 H29 H27 142.6 1_565 1_565 1_565 no C13 H29 H28 87.0 1_565 1_565 1_565 no C13 H29 H30 127.9 1_565 1_565 1_565 no C14 H29 C15 24.7 1_565 1_565 1_565 no C14 H29 C16 42.7 1_565 1_565 1_565 no C14 H29 C17 48.5 1_565 1_565 1_565 no C14 H29 C18 44.2 1_565 1_565 1_565 no C14 H29 C24 91.2 1_565 1_565 1_565 no C14 H29 C31 94.4 1_565 1_565 1_565 no C14 H29 C32 83.9 1_565 1_565 1_565 no C14 H29 C33 110.0 1_565 1_565 1_565 no C14 H29 C34 135.4 1_565 1_565 1_565 no C14 H29 C35 128.0 1_565 1_565 1_565 no C14 H29 C36 112.1 1_565 1_565 1_565 no C14 H29 H2 94.0 1_565 1_565 1_565 no C14 H29 H9 46.8 1_565 1_565 1_565 no C14 H29 H9 98.7 1_565 1_565 1_565 no C14 H29 H12 15.9 1_565 1_565 1_565 no C14 H29 H12 112.1 1_565 1_565 1_565 no C14 H29 H13 33.5 1_565 1_565 1_565 no C14 H29 H21 84.6 1_565 1_565 1_565 no C14 H29 H23 104.2 1_565 1_565 1_565 no C14 H29 H27 116.2 1_565 1_565 1_565 no C14 H29 H28 62.9 1_565 1_565 1_565 no C14 H29 H30 146.5 1_565 1_565 1_565 no C15 H29 C16 22.8 1_565 1_565 1_565 no C15 H29 C17 39.5 1_565 1_565 1_565 no C15 H29 C18 48.7 1_565 1_565 1_565 no C15 H29 C24 67.7 1_565 1_565 1_565 no C15 H29 C31 102.0 1_565 1_565 1_565 no C15 H29 C32 89.8 1_565 1_565 1_565 no C15 H29 C33 120.4 1_565 1_565 1_565 no C15 H29 C34 153.5 1_565 1_565 1_565 no C15 H29 C35 142.4 1_565 1_565 1_565 no C15 H29 C36 122.4 1_565 1_565 1_565 no C15 H29 H2 112.4 1_565 1_565 1_565 no C15 H29 H9 70.7 1_565 1_565 1_565 no C15 H29 H9 86.7 1_565 1_565 1_565 no C15 H29 H12 35.5 1_565 1_565 1_565 no C15 H29 H12 89.9 1_565 1_565 1_565 no C15 H29 H13 15.0 1_565 1_565 1_565 no C15 H29 H21 60.6 1_565 1_565 1_565 no C15 H29 H23 82.2 1_565 1_565 1_565 no C15 H29 H27 103.2 1_565 1_565 1_565 no C15 H29 H28 64.6 1_565 1_565 1_565 no C15 H29 H30 171.0 1_565 1_565 1_565 no C16 H29 C17 22.7 1_565 1_565 1_565 no C16 H29 C18 41.6 1_565 1_565 1_565 no C16 H29 C24 61.8 1_565 1_565 1_565 no C16 H29 C31 122.5 1_565 1_565 1_565 no C16 H29 C32 110.3 1_565 1_565 1_565 no C16 H29 C33 141.2 1_565 1_565 1_565 no C16 H29 C34 175.3 1_565 1_565 1_565 no C16 H29 C35 163.4 1_565 1_565 1_565 no C16 H29 C36 143.0 1_565 1_565 1_565 no C16 H29 H2 108.6 1_565 1_565 1_565 no C16 H29 H9 89.2 1_565 1_565 1_565 no C16 H29 H9 64.3 1_565 1_565 1_565 no C16 H29 H12 56.7 1_565 1_565 1_565 no C16 H29 H12 69.4 1_565 1_565 1_565 no C16 H29 H13 32.3 1_565 1_565 1_565 no C16 H29 H21 53.9 1_565 1_565 1_565 no C16 H29 H23 78.1 1_565 1_565 1_565 no C16 H29 H27 108.1 1_565 1_565 1_565 no C16 H29 H28 84.8 1_565 1_565 1_565 no C16 H29 H30 159.1 1_565 1_565 1_565 no C17 H29 C18 22.9 1_565 1_565 1_565 no C17 H29 C24 79.7 1_565 1_565 1_565 no C17 H29 C31 141.0 1_565 1_565 1_565 no C17 H29 C32 129.0 1_565 1_565 1_565 no C17 H29 C33 158.4 1_565 1_565 1_565 no C17 H29 C34 161.8 1_565 1_565 1_565 no C17 H29 C35 170.1 1_565 1_565 1_565 no C17 H29 C36 160.5 1_565 1_565 1_565 no C17 H29 H2 87.0 1_565 1_565 1_565 no C17 H29 H9 88.1 1_565 1_565 1_565 no C17 H29 H9 50.3 1_565 1_565 1_565 no C17 H29 H12 64.5 1_565 1_565 1_565 no C17 H29 H12 69.1 1_565 1_565 1_565 no C17 H29 H13 52.7 1_565 1_565 1_565 no C17 H29 H21 72.0 1_565 1_565 1_565 no C17 H29 H23 95.7 1_565 1_565 1_565 no C17 H29 H27 128.7 1_565 1_565 1_565 no C17 H29 H28 104.1 1_565 1_565 1_565 no C17 H29 H30 138.4 1_565 1_565 1_565 no C18 H29 C24 102.2 1_565 1_565 1_565 no C18 H29 C31 135.9 1_565 1_565 1_565 no C18 H29 C32 127.2 1_565 1_565 1_565 no C18 H29 C33 145.5 1_565 1_565 1_565 no C18 H29 C34 141.7 1_565 1_565 1_565 no C18 H29 C35 147.3 1_565 1_565 1_565 no C18 H29 C36 147.0 1_565 1_565 1_565 no C18 H29 H2 67.3 1_565 1_565 1_565 no C18 H29 H9 71.0 1_565 1_565 1_565 no C18 H29 H9 59.4 1_565 1_565 1_565 no C18 H29 H12 58.5 1_565 1_565 1_565 no C18 H29 H12 87.2 1_565 1_565 1_565 no C18 H29 H13 63.7 1_565 1_565 1_565 no C18 H29 H21 94.3 1_565 1_565 1_565 no C18 H29 H23 118.3 1_565 1_565 1_565 no C18 H29 H27 149.7 1_565 1_565 1_565 no C18 H29 H28 107.0 1_565 1_565 1_565 no C18 H29 H30 125.3 1_565 1_565 1_565 no C24 H29 C31 91.0 2_656 2_656 2_656 no C24 H29 C32 84.9 2_656 2_656 2_656 no C24 H29 C33 100.5 2_656 2_656 2_656 no C24 H29 C34 115.6 2_656 2_656 2_656 no C24 H29 C35 110.1 2_656 2_656 2_656 no C24 H29 C36 100.6 2_656 2_656 2_656 no C24 H29 H2 157.0 2_656 2_656 2_656 no C24 H29 H9 127.5 2_656 2_656 2_656 no C24 H29 H9 79.9 2_656 2_656 2_656 no C24 H29 H12 94.7 2_656 2_656 2_656 no C24 H29 H12 49.3 2_656 2_656 2_656 no C24 H29 H13 58.0 2_656 2_656 2_656 no C24 H29 H21 7.9 2_656 2_656 2_656 no C24 H29 H23 16.3 2_656 2_656 2_656 no C24 H29 H27 49.6 2_656 2_656 2_656 no C24 H29 H28 72.4 2_656 2_656 2_656 no C24 H29 H30 121.3 2_656 2_656 2_656 no C31 H29 C32 12.3 . . . no C31 H29 C33 18.6 . . . no C31 H29 C34 52.9 . . . no C31 H29 C35 41.0 . . . no C31 H29 C36 20.5 . . . no C31 H29 H2 110.9 . . . no C31 H29 H9 67.7 . . . no C31 H29 H9 164.2 . . . no C31 H29 H12 78.8 . . . no C31 H29 H12 130.3 . . . no C31 H29 H13 90.3 . . . no C31 H29 H21 95.9 . . . no C31 H29 H23 80.4 . . . no C31 H29 H27 49.5 . . . no C31 H29 H28 37.8 . . . no C31 H29 H30 78.4 . . . no C32 H29 C33 30.9 . . . no C32 H29 C34 65.2 . . . no C32 H29 C35 53.3 . . . no C32 H29 C36 32.8 . . . no C32 H29 H2 117.9 . . . no C32 H29 H9 64.2 . . . no C32 H29 H9 164.6 . . . no C32 H29 H12 68.8 . . . no C32 H29 H12 129.8 . . . no C32 H29 H13 78.0 . . . no C32 H29 H21 88.6 . . . no C32 H29 H23 76.9 . . . no C32 H29 H27 50.6 . . . no C32 H29 H28 25.5 . . . no C32 H29 H30 90.6 . . . no C33 H29 C34 34.2 . . . no C33 H29 C35 22.4 . . . no C33 H29 C36 2.1 . . . no C33 H29 H2 98.7 . . . no C33 H29 H9 74.5 . . . no C33 H29 H9 151.3 . . . no C33 H29 H12 94.1 . . . no C33 H29 H12 127.3 . . . no C33 H29 H13 108.9 . . . no C33 H29 H21 106.9 . . . no C33 H29 H23 86.8 . . . no C33 H29 H27 52.4 . . . no C33 H29 H28 56.4 . . . no C33 H29 H30 59.7 . . . no C34 H29 C35 11.9 . . . no C34 H29 C36 32.4 . . . no C34 H29 H2 75.2 . . . no C34 H29 H9 89.6 . . . no C34 H29 H9 119.8 . . . no C34 H29 H12 120.8 . . . no C34 H29 H12 112.4 . . . no C34 H29 H13 143.1 . . . no C34 H29 H21 123.5 . . . no C34 H29 H23 99.3 . . . no C34 H29 H27 68.3 . . . no C34 H29 H28 90.6 . . . no C34 H29 H30 25.5 . . . no C35 H29 C36 20.5 . . . no C35 H29 H2 84.0 . . . no C35 H29 H9 85.0 . . . no C35 H29 H9 130.7 . . . no C35 H29 H12 112.5 . . . no C35 H29 H12 117.8 . . . no C35 H29 H13 131.2 . . . no C35 H29 H21 117.8 . . . no C35 H29 H23 94.2 . . . no C35 H29 H27 60.9 . . . no C35 H29 H28 78.8 . . . no C35 H29 H30 37.4 . . . no C36 H29 H2 98.2 . . . no C36 H29 H9 76.2 . . . no C36 H29 H9 149.1 . . . no C36 H29 H12 96.2 . . . no C36 H29 H12 125.8 . . . no C36 H29 H13 110.8 . . . no C36 H29 H21 107.2 . . . no C36 H29 H23 86.5 . . . no C36 H29 H27 52.1 . . . no C36 H29 H28 58.3 . . . no C36 H29 H30 57.8 . . . no H2 H29 H9 70.1 4_575 4_575 4_575 no H2 H29 H9 77.2 4_575 4_575 4_575 no H2 H29 H12 96.4 4_575 4_575 4_575 no H2 H29 H12 108.3 4_575 4_575 4_575 no H2 H29 H13 126.1 4_575 4_575 4_575 no H2 H29 H21 153.2 4_575 4_575 4_575 no H2 H29 H23 158.0 4_575 4_575 4_575 no H2 H29 H27 143.0 4_575 4_575 4_575 no H2 H29 H28 129.5 4_575 4_575 4_575 no H2 H29 H30 59.7 4_575 4_575 4_575 no H9 H29 H9 128.1 1_565 1_565 1_565 no H9 H29 H12 36.1 1_565 1_565 1_565 no H9 H29 H12 157.1 1_565 1_565 1_565 no H9 H29 H13 74.0 1_565 1_565 1_565 no H9 H29 H21 123.9 1_565 1_565 1_565 no H9 H29 H23 131.7 1_565 1_565 1_565 no H9 H29 H27 114.6 1_565 1_565 1_565 no H9 H29 H28 61.4 1_565 1_565 1_565 no H9 H29 H30 101.4 1_565 1_565 1_565 no H9 H29 H12 114.6 4_575 4_575 4_575 no H9 H29 H12 35.3 4_575 4_575 4_575 no H9 H29 H13 95.8 4_575 4_575 4_575 no H9 H29 H21 76.6 4_575 4_575 4_575 no H9 H29 H23 87.7 4_575 4_575 4_575 no H9 H29 H27 115.9 4_575 4_575 4_575 no H9 H29 H28 145.8 4_575 4_575 4_575 no H9 H29 H30 95.2 4_575 4_575 4_575 no H12 H29 H12 125.4 1_565 1_565 1_565 no H12 H29 H13 38.1 1_565 1_565 1_565 no H12 H29 H21 89.5 1_565 1_565 1_565 no H12 H29 H23 104.5 1_565 1_565 1_565 no H12 H29 H27 107.2 1_565 1_565 1_565 no H12 H29 H28 50.1 1_565 1_565 1_565 no H12 H29 H30 137.3 1_565 1_565 1_565 no H12 H29 H13 90.5 4_575 4_575 4_575 no H12 H29 H21 49.1 4_575 4_575 4_575 no H12 H29 H23 53.4 4_575 4_575 4_575 no H12 H29 H27 80.9 4_575 4_575 4_575 no H12 H29 H28 121.7 4_575 4_575 4_575 no H12 H29 H30 96.7 4_575 4_575 4_575 no H13 H29 H21 52.0 1_565 1_565 1_565 no H13 H29 H23 70.8 1_565 1_565 1_565 no H13 H29 H27 88.5 1_565 1_565 1_565 no H13 H29 H28 52.5 1_565 1_565 1_565 no H13 H29 H30 168.6 1_565 1_565 1_565 no H21 H29 H23 24.2 2_656 2_656 2_656 no H21 H29 H27 57.0 2_656 2_656 2_656 no H21 H29 H28 73.2 2_656 2_656 2_656 no H21 H29 H30 128.4 2_656 2_656 2_656 no H23 H29 H27 34.6 2_656 2_656 2_656 no H23 H29 H28 71.0 2_656 2_656 2_656 no H23 H29 H30 106.6 2_656 2_656 2_656 no H27 H29 H28 58.4 4_575 4_575 4_575 no H27 H29 H30 83.9 4_575 4_575 4_575 no H28 H29 H30 116.1 . . . no N2 H30 C4 19.3 2_655 2_655 2_655 no N2 H30 C5 88.7 2_655 2_655 2_655 no N2 H30 C6 36.4 2_655 2_655 2_655 no N2 H30 C10 116.2 2_655 2_655 2_655 no N2 H30 C11 96.5 2_655 2_655 2_655 no N2 H30 C12 91.1 2_655 2_655 2_655 no N2 H30 C31 104.8 2_655 2_655 2_655 no N2 H30 C32 125.3 2_655 2_655 2_655 no N2 H30 C33 140.8 2_655 2_655 2_655 no N2 H30 C34 107.9 2_655 2_655 2_655 no N2 H30 C35 71.9 2_655 2_655 2_655 no N2 H30 C36 84.6 2_655 2_655 2_655 no N2 H30 H2 108.4 2_655 2_655 2_655 no N2 H30 H3 72.8 2_655 2_655 2_655 no N2 H30 H4 84.5 2_655 2_655 2_655 no N2 H30 H5 67.5 2_655 2_655 2_655 no N2 H30 H6 49.7 2_655 2_655 2_655 no N2 H30 H7 35.9 2_655 2_655 2_655 no N2 H30 H26 96.1 2_655 2_655 2_655 no N2 H30 H29 165.2 2_655 2_655 2_655 no N2 H30 H31 45.3 2_655 2_655 2_655 no C4 H30 C5 90.0 2_655 2_655 2_655 no C4 H30 C6 23.9 2_655 2_655 2_655 no C4 H30 C10 97.1 2_655 2_655 2_655 no C4 H30 C11 78.1 2_655 2_655 2_655 no C4 H30 C12 75.8 2_655 2_655 2_655 no C4 H30 C31 121.4 2_655 2_655 2_655 no C4 H30 C32 142.2 2_655 2_655 2_655 no C4 H30 C33 157.8 2_655 2_655 2_655 no C4 H30 C34 124.6 2_655 2_655 2_655 no C4 H30 C35 87.9 2_655 2_655 2_655 no C4 H30 C36 100.7 2_655 2_655 2_655 no C4 H30 H2 108.7 2_655 2_655 2_655 no C4 H30 H3 72.0 2_655 2_655 2_655 no C4 H30 H4 91.1 2_655 2_655 2_655 no C4 H30 H5 85.0 2_655 2_655 2_655 no C4 H30 H6 35.6 2_655 2_655 2_655 no C4 H30 H7 31.8 2_655 2_655 2_655 no C4 H30 H26 91.4 2_655 2_655 2_655 no C4 H30 H29 175.5 2_655 2_655 2_655 no C4 H30 H31 60.9 2_655 2_655 2_655 no C5 H30 C6 112.0 4_575 4_575 4_575 no C5 H30 C10 84.6 4_575 4_575 4_575 no C5 H30 C11 76.4 4_575 4_575 4_575 no C5 H30 C12 56.4 4_575 4_575 4_575 no C5 H30 C31 114.9 4_575 4_575 4_575 no C5 H30 C32 108.4 4_575 4_575 4_575 no C5 H30 C33 102.4 4_575 4_575 4_575 no C5 H30 C34 114.0 4_575 4_575 4_575 no C5 H30 C35 119.5 4_575 4_575 4_575 no C5 H30 C36 119.3 4_575 4_575 4_575 no C5 H30 H2 19.7 4_575 4_575 4_575 no C5 H30 H3 18.3 4_575 4_575 4_575 no C5 H30 H4 16.6 4_575 4_575 4_575 no C5 H30 H5 62.0 4_575 4_575 4_575 no C5 H30 H6 118.5 4_575 4_575 4_575 no C5 H30 H7 121.6 4_575 4_575 4_575 no C5 H30 H26 169.0 4_575 4_575 4_575 no C5 H30 H29 90.6 4_575 4_575 4_575 no C5 H30 H31 114.4 4_575 4_575 4_575 no C6 H30 C10 89.9 2_655 2_655 2_655 no C6 H30 C11 75.9 2_655 2_655 2_655 no C6 H30 C12 82.1 2_655 2_655 2_655 no C6 H30 C31 115.5 2_655 2_655 2_655 no C6 H30 C32 133.1 2_655 2_655 2_655 no C6 H30 C33 144.4 2_655 2_655 2_655 no C6 H30 C34 118.4 2_655 2_655 2_655 no C6 H30 C35 85.0 2_655 2_655 2_655 no C6 H30 C36 96.7 2_655 2_655 2_655 no C6 H30 H2 129.1 2_655 2_655 2_655 no C6 H30 H3 93.7 2_655 2_655 2_655 no C6 H30 H4 114.9 2_655 2_655 2_655 no C6 H30 H5 103.2 2_655 2_655 2_655 no C6 H30 H6 13.3 2_655 2_655 2_655 no C6 H30 H7 15.3 2_655 2_655 2_655 no C6 H30 H26 68.0 2_655 2_655 2_655 no C6 H30 H29 153.7 2_655 2_655 2_655 no C6 H30 H31 61.2 2_655 2_655 2_655 no C10 H30 C11 20.8 4_575 4_575 4_575 no C10 H30 C12 36.1 4_575 4_575 4_575 no C10 H30 C31 135.1 4_575 4_575 4_575 no C10 H30 C32 116.9 4_575 4_575 4_575 no C10 H30 C33 102.3 4_575 4_575 4_575 no C10 H30 C34 132.5 4_575 4_575 4_575 no C10 H30 C35 155.4 4_575 4_575 4_575 no C10 H30 C36 149.8 4_575 4_575 4_575 no C10 H30 H2 76.8 4_575 4_575 4_575 no C10 H30 H3 84.0 4_575 4_575 4_575 no C10 H30 H4 100.9 4_575 4_575 4_575 no C10 H30 H5 146.6 4_575 4_575 4_575 no C10 H30 H6 79.5 4_575 4_575 4_575 no C10 H30 H7 102.2 4_575 4_575 4_575 no C10 H30 H26 84.4 4_575 4_575 4_575 no C10 H30 H29 78.5 4_575 4_575 4_575 no C10 H30 H31 149.3 4_575 4_575 4_575 no C11 H30 C12 20.5 4_575 4_575 4_575 no C11 H30 C31 155.7 4_575 4_575 4_575 no C11 H30 C32 137.5 4_575 4_575 4_575 no C11 H30 C33 122.5 4_575 4_575 4_575 no C11 H30 C34 153.2 4_575 4_575 4_575 no C11 H30 C35 159.1 4_575 4_575 4_575 no C11 H30 C36 164.3 4_575 4_575 4_575 no C11 H30 H2 75.4 4_575 4_575 4_575 no C11 H30 H3 70.2 4_575 4_575 4_575 no C11 H30 H4 92.8 4_575 4_575 4_575 no C11 H30 H5 134.9 4_575 4_575 4_575 no C11 H30 H6 68.2 4_575 4_575 4_575 no C11 H30 H7 90.2 4_575 4_575 4_575 no C11 H30 H26 93.3 4_575 4_575 4_575 no C11 H30 H29 97.7 4_575 4_575 4_575 no C11 H30 H31 136.8 4_575 4_575 4_575 no C12 H30 C31 162.2 4_575 4_575 4_575 no C12 H30 C32 141.9 4_575 4_575 4_575 no C12 H30 C33 126.4 4_575 4_575 4_575 no C12 H30 C34 159.1 4_575 4_575 4_575 no C12 H30 C35 162.9 4_575 4_575 4_575 no C12 H30 C36 174.1 4_575 4_575 4_575 no C12 H30 H2 58.4 4_575 4_575 4_575 no C12 H30 H3 49.9 4_575 4_575 4_575 no C12 H30 H4 72.6 4_575 4_575 4_575 no C12 H30 H5 114.7 4_575 4_575 4_575 no C12 H30 H6 78.5 4_575 4_575 4_575 no C12 H30 H7 97.4 4_575 4_575 4_575 no C12 H30 H26 113.5 4_575 4_575 4_575 no C12 H30 H29 100.8 4_575 4_575 4_575 no C12 H30 H31 136.3 4_575 4_575 4_575 no C31 H30 C32 20.8 . . . no C31 H30 C33 36.5 . . . no C31 H30 C34 3.2 . . . no C31 H30 C35 33.5 . . . no C31 H30 C36 20.6 . . . no C31 H30 H2 107.8 . . . no C31 H30 H3 127.0 . . . no C31 H30 H4 100.5 . . . no C31 H30 H5 65.8 . . . no C31 H30 H6 118.0 . . . no C31 H30 H7 100.3 . . . no C31 H30 H26 73.3 . . . no C31 H30 H29 62.3 . . . no C31 H30 H31 60.5 . . . no C32 H30 C33 15.7 . . . no C32 H30 C34 17.6 . . . no C32 H30 C35 54.3 . . . no C32 H30 C36 41.4 . . . no C32 H30 H2 95.6 . . . no C32 H30 H3 124.9 . . . no C32 H30 H4 97.9 . . . no C32 H30 H5 75.8 . . . no C32 H30 H6 131.8 . . . no C32 H30 H7 118.4 . . . no C32 H30 H26 76.7 . . . no C32 H30 H29 41.5 . . . no C32 H30 H31 81.3 . . . no C33 H30 C34 33.3 . . . no C33 H30 C35 69.9 . . . no C33 H30 C36 57.1 . . . no C33 H30 H2 86.4 . . . no C33 H30 H3 120.5 . . . no C33 H30 H4 95.7 . . . no C33 H30 H5 84.7 . . . no C33 H30 H6 138.9 . . . no C33 H30 H7 131.0 . . . no C33 H30 H26 79.9 . . . no C33 H30 H29 25.8 . . . no C33 H30 H31 97.0 . . . no C34 H30 C35 36.7 . . . no C34 H30 C36 23.8 . . . no C34 H30 H2 105.9 . . . no C34 H30 H3 126.9 . . . no C34 H30 H4 100.1 . . . no C34 H30 H5 67.1 . . . no C34 H30 H6 120.4 . . . no C34 H30 H7 103.1 . . . no C34 H30 H26 73.9 . . . no C34 H30 H29 59.1 . . . no C34 H30 H31 63.6 . . . no C35 H30 C36 12.8 . . . no C35 H30 H2 124.4 . . . no C35 H30 H3 120.2 . . . no C35 H30 H4 103.0 . . . no C35 H30 H5 57.6 . . . no C35 H30 H6 91.4 . . . no C35 H30 H7 70.1 . . . no C35 H30 H26 71.4 . . . no C35 H30 H29 95.7 . . . no C35 H30 H31 27.0 . . . no C36 H30 H2 119.2 . . . no C36 H30 H3 124.7 . . . no C36 H30 H4 102.9 . . . no C36 H30 H5 59.8 . . . no C36 H30 H6 101.6 . . . no C36 H30 H7 81.5 . . . no C36 H30 H26 71.0 . . . no C36 H30 H29 82.9 . . . no C36 H30 H31 39.8 . . . no H2 H30 H3 36.9 4_575 4_575 4_575 no H2 H30 H4 28.4 4_575 4_575 4_575 no H2 H30 H5 71.1 4_575 4_575 4_575 no H2 H30 H6 132.6 4_575 4_575 4_575 no H2 H30 H7 140.5 4_575 4_575 4_575 no H2 H30 H26 153.8 4_575 4_575 4_575 no H2 H30 H29 71.4 4_575 4_575 4_575 no H2 H30 H31 128.6 4_575 4_575 4_575 no H3 H30 H4 27.3 4_575 4_575 4_575 no H3 H30 H5 64.9 4_575 4_575 4_575 no H3 H30 H6 100.6 4_575 4_575 4_575 no H3 H30 H7 103.7 4_575 4_575 4_575 no H3 H30 H26 158.4 4_575 4_575 4_575 no H3 H30 H29 108.3 4_575 4_575 4_575 no H3 H30 H31 106.5 4_575 4_575 4_575 no H4 H30 H5 45.8 4_575 4_575 4_575 no H4 H30 H6 124.6 4_575 4_575 4_575 no H4 H30 H7 120.1 4_575 4_575 4_575 no H4 H30 H26 173.8 4_575 4_575 4_575 no H4 H30 H29 90.7 4_575 4_575 4_575 no H4 H30 H31 100.7 4_575 4_575 4_575 no H5 H30 H6 116.4 3_675 3_675 3_675 no H5 H30 H7 96.9 3_675 3_675 3_675 no H5 H30 H26 128.9 3_675 3_675 3_675 no H5 H30 H29 99.2 3_675 3_675 3_675 no H5 H30 H31 58.3 3_675 3_675 3_675 no H6 H30 H7 22.8 2_655 2_655 2_655 no H6 H30 H26 59.2 2_655 2_655 2_655 no H6 H30 H29 141.3 2_655 2_655 2_655 no H6 H30 H31 70.3 2_655 2_655 2_655 no H7 H30 H26 61.2 2_655 2_655 2_655 no H7 H30 H29 147.9 2_655 2_655 2_655 no H7 H30 H31 47.6 2_655 2_655 2_655 no H26 H30 H29 87.2 4_575 4_575 4_575 no H26 H30 H31 75.6 4_575 4_575 4_575 no H29 H30 H31 122.7 . . . no N2 H31 C1 18.7 2_655 2_655 2_655 no N2 H31 C4 23.5 2_655 2_655 2_655 no N2 H31 C6 45.7 2_655 2_655 2_655 no N2 H31 C6 97.8 2_655 2_655 2_655 no N2 H31 C13 89.7 2_655 2_655 2_655 no N2 H31 C17 96.4 2_655 2_655 2_655 no N2 H31 C18 81.8 2_655 2_655 2_655 no N2 H31 C31 167.1 2_655 2_655 2_655 no N2 H31 C32 154.6 2_655 2_655 2_655 no N2 H31 C33 135.0 2_655 2_655 2_655 no N2 H31 C34 123.1 2_655 2_655 2_655 no N2 H31 C35 153.8 2_655 2_655 2_655 no N2 H31 C36 163.8 2_655 2_655 2_655 no N2 H31 H5 90.0 2_655 2_655 2_655 no N2 H31 H6 61.9 2_655 2_655 2_655 no N2 H31 H6 102.5 2_655 2_655 2_655 no N2 H31 H7 50.0 2_655 2_655 2_655 no N2 H31 H10 57.8 2_655 2_655 2_655 no N2 H31 H15 90.6 2_655 2_655 2_655 no N2 H31 H16 60.4 2_655 2_655 2_655 no N2 H31 H26 114.9 2_655 2_655 2_655 no N2 H31 H30 97.4 2_655 2_655 2_655 no N2 H31 H32 142.0 2_655 2_655 2_655 no C1 H31 C4 37.3 2_655 2_655 2_655 no C1 H31 C6 62.8 2_655 2_655 2_655 no C1 H31 C6 79.1 2_655 2_655 2_655 no C1 H31 C13 92.7 2_655 2_655 2_655 no C1 H31 C17 109.7 2_655 2_655 2_655 no C1 H31 C18 90.2 2_655 2_655 2_655 no C1 H31 C31 148.4 2_655 2_655 2_655 no C1 H31 C32 142.1 2_655 2_655 2_655 no C1 H31 C33 128.2 2_655 2_655 2_655 no C1 H31 C34 118.2 2_655 2_655 2_655 no C1 H31 C35 142.2 2_655 2_655 2_655 no C1 H31 C36 147.9 2_655 2_655 2_655 no C1 H31 H5 71.4 2_655 2_655 2_655 no C1 H31 H6 76.6 2_655 2_655 2_655 no C1 H31 H6 85.1 2_655 2_655 2_655 no C1 H31 H7 68.7 2_655 2_655 2_655 no C1 H31 H10 52.3 2_655 2_655 2_655 no C1 H31 H15 107.6 2_655 2_655 2_655 no C1 H31 H16 69.0 2_655 2_655 2_655 no C1 H31 H26 130.9 2_655 2_655 2_655 no C1 H31 H30 96.2 2_655 2_655 2_655 no C1 H31 H32 134.7 2_655 2_655 2_655 no C4 H31 C6 26.8 2_655 2_655 2_655 no C4 H31 C6 112.4 2_655 2_655 2_655 no C4 H31 C13 106.4 2_655 2_655 2_655 no C4 H31 C17 99.3 2_655 2_655 2_655 no C4 H31 C18 93.7 2_655 2_655 2_655 no C4 H31 C31 159.8 2_655 2_655 2_655 no C4 H31 C32 138.8 2_655 2_655 2_655 no C4 H31 C33 117.3 2_655 2_655 2_655 no C4 H31 C34 105.1 2_655 2_655 2_655 no C4 H31 C35 137.3 2_655 2_655 2_655 no C4 H31 C36 172.1 2_655 2_655 2_655 no C4 H31 H5 100.7 2_655 2_655 2_655 no C4 H31 H6 39.4 2_655 2_655 2_655 no C4 H31 H6 121.6 2_655 2_655 2_655 no C4 H31 H7 39.5 2_655 2_655 2_655 no C4 H31 H10 81.0 2_655 2_655 2_655 no C4 H31 H15 86.5 2_655 2_655 2_655 no C4 H31 H16 74.3 2_655 2_655 2_655 no C4 H31 H26 93.6 2_655 2_655 2_655 no C4 H31 H30 78.7 2_655 2_655 2_655 no C4 H31 H32 161.7 2_655 2_655 2_655 no C6 H31 C6 139.0 2_655 2_655 2_655 no C6 H31 C13 102.5 2_655 2_655 2_655 no C6 H31 C17 80.9 2_655 2_655 2_655 no C6 H31 C18 85.4 2_655 2_655 2_655 no C6 H31 C31 144.7 2_655 2_655 2_655 no C6 H31 C32 129.7 2_655 2_655 2_655 no C6 H31 C33 111.7 2_655 2_655 2_655 no C6 H31 C34 101.4 2_655 2_655 2_655 no C6 H31 C35 127.9 2_655 2_655 2_655 no C6 H31 C36 149.3 2_655 2_655 2_655 no C6 H31 H5 126.3 2_655 2_655 2_655 no C6 H31 H6 19.5 2_655 2_655 2_655 no C6 H31 H6 147.8 2_655 2_655 2_655 no C6 H31 H7 19.3 2_655 2_655 2_655 no C6 H31 H10 95.4 2_655 2_655 2_655 no C6 H31 H15 64.1 2_655 2_655 2_655 no C6 H31 H16 72.4 2_655 2_655 2_655 no C6 H31 H26 69.2 2_655 2_655 2_655 no C6 H31 H30 78.1 2_655 2_655 2_655 no C6 H31 H32 146.2 2_655 2_655 2_655 no C6 H31 C13 93.6 3_675 3_675 3_675 no C6 H31 C17 129.0 3_675 3_675 3_675 no C6 H31 C18 110.7 3_675 3_675 3_675 no C6 H31 C31 69.5 3_675 3_675 3_675 no C6 H31 C32 73.3 3_675 3_675 3_675 no C6 H31 C33 79.4 3_675 3_675 3_675 no C6 H31 C34 82.7 3_675 3_675 3_675 no C6 H31 C35 74.6 3_675 3_675 3_675 no C6 H31 C36 70.1 3_675 3_675 3_675 no C6 H31 H5 14.8 3_675 3_675 3_675 no C6 H31 H6 141.2 3_675 3_675 3_675 no C6 H31 H6 16.4 3_675 3_675 3_675 no C6 H31 H7 147.6 3_675 3_675 3_675 no C6 H31 H10 70.5 3_675 3_675 3_675 no C6 H31 H15 148.7 3_675 3_675 3_675 no C6 H31 H16 109.1 3_675 3_675 3_675 no C6 H31 H26 140.5 3_675 3_675 3_675 no C6 H31 H30 92.2 3_675 3_675 3_675 no C6 H31 H32 72.8 3_675 3_675 3_675 no C13 H31 C17 37.9 . . . no C13 H31 C18 18.1 . . . no C13 H31 C31 93.4 . . . no C13 H31 C32 114.1 . . . no C13 H31 C33 135.2 . . . no C13 H31 C34 147.2 . . . no C13 H31 C35 115.4 . . . no C13 H31 C36 80.7 . . . no C13 H31 H5 106.2 . . . no C13 H31 H6 117.3 . . . no C13 H31 H6 77.9 . . . no C13 H31 H7 84.1 . . . no C13 H31 H10 44.2 . . . no C13 H31 H15 56.2 . . . no C13 H31 H16 32.3 . . . no C13 H31 H26 107.6 . . . no C13 H31 H30 170.2 . . . no C13 H31 H32 55.3 . . . no C17 H31 C18 25.5 . . . no C17 H31 C31 93.7 . . . no C17 H31 C32 107.7 . . . no C17 H31 C33 120.4 . . . no C17 H31 C34 127.0 . . . no C17 H31 C35 107.9 . . . no C17 H31 C36 84.0 . . . no C17 H31 H5 143.1 . . . no C17 H31 H6 87.9 . . . no C17 H31 H6 112.6 . . . no C17 H31 H7 62.3 . . . no C17 H31 H10 76.7 . . . no C17 H31 H15 19.7 . . . no C17 H31 H16 42.5 . . . no C17 H31 H26 71.0 . . . no C17 H31 H30 133.8 . . . no C17 H31 H32 66.2 . . . no C18 H31 C31 104.5 . . . no C18 H31 C32 123.5 . . . no C18 H31 C33 141.6 . . . no C18 H31 C34 150.9 . . . no C18 H31 C35 124.4 . . . no C18 H31 C36 92.3 . . . no C18 H31 H5 122.2 . . . no C18 H31 H6 99.2 . . . no C18 H31 H6 95.6 . . . no C18 H31 H7 66.5 . . . no C18 H31 H10 51.1 . . . no C18 H31 H15 40.7 . . . no C18 H31 H16 21.6 . . . no C18 H31 H26 96.1 . . . no C18 H31 H30 157.0 . . . no C18 H31 H32 68.4 . . . no C31 H31 C32 21.0 . . . no C31 H31 C33 42.5 . . . no C31 H31 C34 54.7 . . . no C31 H31 C35 22.6 . . . no C31 H31 C36 12.7 . . . no C31 H31 H5 77.1 . . . no C31 H31 H6 126.7 . . . no C31 H31 H6 66.0 . . . no C31 H31 H7 142.8 . . . no C31 H31 H10 117.3 . . . no C31 H31 H15 101.5 . . . no C31 H31 H16 125.0 . . . no C31 H31 H26 76.1 . . . no C31 H31 H30 81.2 . . . no C31 H31 H32 38.2 . . . no C32 H31 C33 21.5 . . . no C32 H31 C34 33.7 . . . no C32 H31 C35 1.8 . . . no C32 H31 C36 33.7 . . . no C32 H31 H5 75.6 . . . no C32 H31 H6 110.3 . . . no C32 H31 H6 75.7 . . . no C32 H31 H7 136.8 . . . no C32 H31 H10 134.8 . . . no C32 H31 H15 109.5 . . . no C32 H31 H16 144.9 . . . no C32 H31 H26 67.7 . . . no C32 H31 H30 60.2 . . . no C32 H31 H32 59.2 . . . no C33 H31 C34 12.2 . . . no C33 H31 C35 20.0 . . . no C33 H31 C36 55.1 . . . no C33 H31 H5 76.1 . . . no C33 H31 H6 92.4 . . . no C33 H31 H6 87.3 . . . no C33 H31 H7 124.0 . . . no C33 H31 H10 149.3 . . . no C33 H31 H15 115.0 . . . no C33 H31 H16 162.6 . . . no C33 H31 H26 61.9 . . . no C33 H31 H30 38.7 . . . no C33 H31 H32 80.6 . . . no C34 H31 C35 32.2 . . . no C34 H31 C36 67.3 . . . no C34 H31 H5 76.4 . . . no C34 H31 H6 82.7 . . . no C34 H31 H6 93.2 . . . no C34 H31 H7 115.9 . . . no C34 H31 H10 152.7 . . . no C34 H31 H15 117.4 . . . no C34 H31 H16 167.7 . . . no C34 H31 H26 61.3 . . . no C34 H31 H30 26.5 . . . no C34 H31 H32 92.8 . . . no C35 H31 C36 35.1 . . . no C35 H31 H5 76.6 . . . no C35 H31 H6 108.5 . . . no C35 H31 H6 77.4 . . . no C35 H31 H7 135.2 . . . no C35 H31 H10 136.6 . . . no C35 H31 H15 109.0 . . . no C35 H31 H16 145.8 . . . no C35 H31 H26 66.2 . . . no C35 H31 H30 58.7 . . . no C35 H31 H32 60.6 . . . no C36 H31 H5 80.4 . . . no C36 H31 H6 134.2 . . . no C36 H31 H6 62.9 . . . no C36 H31 H7 140.4 . . . no C36 H31 H10 106.9 . . . no C36 H31 H15 94.7 . . . no C36 H31 H16 112.4 . . . no C36 H31 H26 80.6 . . . no C36 H31 H30 93.8 . . . no C36 H31 H32 25.5 . . . no H5 H31 H6 126.4 3_675 3_675 3_675 no H5 H31 H6 31.0 3_675 3_675 3_675 no H5 H31 H7 139.2 3_675 3_675 3_675 no H5 H31 H10 76.3 3_675 3_675 3_675 no H5 H31 H15 162.4 3_675 3_675 3_675 no H5 H31 H16 115.9 3_675 3_675 3_675 no H5 H31 H26 137.6 3_675 3_675 3_675 no H5 H31 H30 80.7 3_675 3_675 3_675 no H5 H31 H32 86.7 3_675 3_675 3_675 no H6 H31 H6 156.3 2_655 2_655 2_655 no H6 H31 H7 34.1 2_655 2_655 2_655 no H6 H31 H10 114.8 2_655 2_655 2_655 no H6 H31 H15 68.6 2_655 2_655 2_655 no H6 H31 H16 89.8 2_655 2_655 2_655 no H6 H31 H26 54.3 2_655 2_655 2_655 no H6 H31 H30 61.2 2_655 2_655 2_655 no H6 H31 H32 143.7 2_655 2_655 2_655 no H6 H31 H7 147.4 3_675 3_675 3_675 no H6 H31 H10 62.1 3_675 3_675 3_675 no H6 H31 H15 132.3 3_675 3_675 3_675 no H6 H31 H16 97.5 3_675 3_675 3_675 no H6 H31 H26 142.0 3_675 3_675 3_675 no H6 H31 H30 106.9 3_675 3_675 3_675 no H6 H31 H32 59.5 3_675 3_675 3_675 no H7 H31 H10 86.1 2_655 2_655 2_655 no H7 H31 H15 47.2 2_655 2_655 2_655 no H7 H31 H16 55.8 2_655 2_655 2_655 no H7 H31 H26 69.5 2_655 2_655 2_655 no H7 H31 H30 95.3 2_655 2_655 2_655 no H7 H31 H32 128.4 2_655 2_655 2_655 no H10 H31 H15 89.2 . . . no H10 H31 H16 39.6 . . . no H10 H31 H26 145.8 . . . no H10 H31 H30 145.6 . . . no H10 H31 H32 84.7 . . . no H15 H31 H16 50.4 . . . no H15 H31 H26 56.6 . . . no H15 H31 H30 116.6 . . . no H15 H31 H32 82.1 . . . no H16 H31 H26 106.3 . . . no H16 H31 H30 150.4 . . . no H16 H31 H32 87.4 . . . no H26 H31 H30 63.3 4_575 4_575 4_575 no H26 H31 H32 92.0 4_575 4_575 4_575 no H30 H31 H32 119.3 . . . no C6 H32 C13 104.0 3_675 3_675 3_675 no C6 H32 C14 121.5 3_675 3_675 3_675 no C6 H32 C15 144.4 3_675 3_675 3_675 no C6 H32 C16 149.5 3_675 3_675 3_675 no C6 H32 C17 127.5 3_675 3_675 3_675 no C6 H32 C18 105.6 3_675 3_675 3_675 no C6 H32 C27 104.3 3_675 3_675 3_675 no C6 H32 C28 94.2 3_675 3_675 3_675 no C6 H32 C29 89.5 3_675 3_675 3_675 no C6 H32 C30 97.3 3_675 3_675 3_675 no C6 H32 C31 81.2 3_675 3_675 3_675 no C6 H32 C32 78.0 3_675 3_675 3_675 no C6 H32 C33 73.0 3_675 3_675 3_675 no C6 H32 C34 68.8 3_675 3_675 3_675 no C6 H32 C35 67.7 3_675 3_675 3_675 no C6 H32 C36 71.0 3_675 3_675 3_675 no C6 H32 H5 16.1 3_675 3_675 3_675 no C6 H32 H6 11.9 3_675 3_675 3_675 no C6 H32 H10 63.3 3_675 3_675 3_675 no C6 H32 H12 115.5 3_675 3_675 3_675 no C6 H32 H15 122.6 3_675 3_675 3_675 no C6 H32 H16 90.1 3_675 3_675 3_675 no C6 H32 H20 147.0 3_675 3_675 3_675 no C6 H32 H26 74.1 3_675 3_675 3_675 no C6 H32 H27 121.9 3_675 3_675 3_675 no C6 H32 H31 69.1 3_675 3_675 3_675 no C13 H32 C14 25.0 . . . no C13 H32 C15 41.7 . . . no C13 H32 C16 50.0 . . . no C13 H32 C17 43.9 . . . no C13 H32 C18 26.0 . . . no C13 H32 C27 143.5 . . . no C13 H32 C28 146.7 . . . no C13 H32 C29 121.5 . . . no C13 H32 C30 112.3 . . . no C13 H32 C31 174.4 . . . no C13 H32 C32 164.1 . . . no C13 H32 C33 144.3 . . . no C13 H32 C34 124.3 . . . no C13 H32 C35 110.9 . . . no C13 H32 C36 143.7 . . . no C13 H32 H5 104.6 . . . no C13 H32 H6 94.9 . . . no C13 H32 H10 44.3 . . . no C13 H32 H12 33.6 . . . no C13 H32 H15 57.6 . . . no C13 H32 H16 37.8 . . . no C13 H32 H20 102.2 . . . no C13 H32 H26 108.2 . . . no C13 H32 H27 124.4 . . . no C13 H32 H31 84.8 . . . no C14 H32 C15 23.3 . . . no C14 H32 C16 41.9 . . . no C14 H32 C17 49.8 . . . no C14 H32 C18 44.9 . . . no C14 H32 C27 118.5 . . . no C14 H32 C28 122.4 . . . no C14 H32 C29 101.4 . . . no C14 H32 C30 91.2 . . . no C14 H32 C31 152.2 . . . no C14 H32 C32 160.3 . . . no C14 H32 C33 158.4 . . . no C14 H32 C34 143.8 . . . no C14 H32 C35 131.8 . . . no C14 H32 C36 159.3 . . . no C14 H32 H5 126.7 . . . no C14 H32 H6 110.4 . . . no C14 H32 H10 68.3 . . . no C14 H32 H12 14.0 . . . no C14 H32 H15 65.6 . . . no C14 H32 H16 60.5 . . . no C14 H32 H20 79.0 . . . no C14 H32 H26 94.9 . . . no C14 H32 H27 115.3 . . . no C14 H32 H31 107.4 . . . no C15 H32 C16 22.6 . . . no C15 H32 C17 40.5 . . . no C15 H32 C18 49.6 . . . no C15 H32 C27 104.6 . . . no C15 H32 C28 112.1 . . . no C15 H32 C29 101.5 . . . no C15 H32 C30 91.0 . . . no C15 H32 C31 133.5 . . . no C15 H32 C32 137.6 . . . no C15 H32 C33 138.4 . . . no C15 H32 C34 132.7 . . . no C15 H32 C35 125.5 . . . no C15 H32 C36 140.0 . . . no C15 H32 H5 146.1 . . . no C15 H32 H6 133.6 . . . no C15 H32 H10 85.5 . . . no C15 H32 H12 32.6 . . . no C15 H32 H15 54.7 . . . no C15 H32 H16 67.3 . . . no C15 H32 H20 61.0 . . . no C15 H32 H26 104.1 . . . no C15 H32 H27 92.0 . . . no C15 H32 H31 108.0 . . . no C16 H32 C17 23.7 . . . no C16 H32 C18 43.9 . . . no C16 H32 C27 106.1 . . . no C16 H32 C28 116.3 . . . no C16 H32 C29 116.7 . . . no C16 H32 C30 107.1 . . . no C16 H32 C31 124.4 . . . no C16 H32 C32 122.4 . . . no C16 H32 C33 117.3 . . . no C16 H32 C34 110.1 . . . no C16 H32 C35 103.8 . . . no C16 H32 C36 118.6 . . . no C16 H32 H5 140.5 . . . no C16 H32 H6 143.7 . . . no C16 H32 H10 86.6 . . . no C16 H32 H12 53.9 . . . no C16 H32 H15 34.3 . . . no C16 H32 H16 59.7 . . . no C16 H32 H20 63.3 . . . no C16 H32 H26 124.8 . . . no C16 H32 H27 75.8 . . . no C16 H32 H31 90.5 . . . no C17 H32 C18 25.6 . . . no C17 H32 C27 125.4 . . . no C17 H32 C28 136.4 . . . no C17 H32 C29 140.2 . . . no C17 H32 C30 130.4 . . . no C17 H32 C31 131.0 . . . no C17 H32 C32 122.5 . . . no C17 H32 C33 109.0 . . . no C17 H32 C34 95.3 . . . no C17 H32 C35 85.7 . . . no C17 H32 C36 109.6 . . . no C17 H32 H5 116.8 . . . no C17 H32 H6 125.2 . . . no C17 H32 H10 68.0 . . . no C17 H32 H12 63.8 . . . no C17 H32 H15 15.8 . . . no C17 H32 H16 37.8 . . . no C17 H32 H20 85.5 . . . no C17 H32 H26 143.8 . . . no C17 H32 H27 81.7 . . . no C17 H32 H31 68.0 . . . no C18 H32 C27 150.0 . . . no C18 H32 C28 160.2 . . . no C18 H32 C29 146.1 . . . no C18 H32 C30 136.0 . . . no C18 H32 C31 150.8 . . . no C18 H32 C32 138.1 . . . no C18 H32 C33 119.0 . . . no C18 H32 C34 100.0 . . . no C18 H32 C35 87.2 . . . no C18 H32 C36 118.7 . . . no C18 H32 H5 99.0 . . . no C18 H32 H6 100.9 . . . no C18 H32 H10 43.2 . . . no C18 H32 H12 57.1 . . . no C18 H32 H15 34.7 . . . no C18 H32 H16 17.7 . . . no C18 H32 H20 106.8 . . . no C18 H32 H26 134.1 . . . no C18 H32 H27 105.7 . . . no C18 H32 H31 62.7 . . . no C27 H32 C28 11.1 . . . no C27 H32 C29 36.9 . . . no C27 H32 C30 41.2 . . . no C27 H32 C31 34.3 . . . no C27 H32 C32 47.3 . . . no C27 H32 C33 67.3 . . . no C27 H32 C34 87.6 . . . no C27 H32 C35 101.1 . . . no C27 H32 C36 68.7 . . . no C27 H32 H5 108.9 . . . no C27 H32 H6 109.1 . . . no C27 H32 H10 166.5 . . . no C27 H32 H12 111.6 . . . no C27 H32 H15 121.4 . . . no C27 H32 H16 161.3 . . . no C27 H32 H20 44.2 . . . no C27 H32 H26 58.9 . . . no C27 H32 H27 54.1 . . . no C27 H32 H31 127.0 . . . no C28 H32 C29 29.8 . . . no C28 H32 C30 36.6 . . . no C28 H32 C31 33.0 . . . no C28 H32 C32 47.0 . . . no C28 H32 C33 67.7 . . . no C28 H32 C34 88.2 . . . no C28 H32 C35 101.8 . . . no C28 H32 C36 68.7 . . . no C28 H32 H5 100.5 . . . no C28 H32 H6 98.3 . . . no C28 H32 H10 155.5 . . . no C28 H32 H12 113.1 . . . no C28 H32 H15 132.2 . . . no C28 H32 H16 171.4 . . . no C28 H32 H20 53.4 . . . no C28 H32 H26 50.2 . . . no C28 H32 H27 63.3 . . . no C28 H32 H31 128.1 . . . no C29 H32 C30 10.6 . . . no C29 H32 C31 60.2 . . . no C29 H32 C32 74.1 . . . no C29 H32 C33 94.2 . . . no C29 H32 C34 113.8 . . . no C29 H32 C35 126.7 . . . no C29 H32 C36 94.7 . . . no C29 H32 H5 102.3 . . . no C29 H32 H6 87.7 . . . no C29 H32 H10 133.2 . . . no C29 H32 H12 89.0 . . . no C29 H32 H15 147.8 . . . no C29 H32 H16 157.9 . . . no C29 H32 H20 59.5 . . . no C29 H32 H26 22.8 . . . no C29 H32 H27 90.7 . . . no C29 H32 H31 150.2 . . . no C30 H32 C31 68.7 . . . no C30 H32 C32 82.8 . . . no C30 H32 C33 103.3 . . . no C30 H32 C34 123.4 . . . no C30 H32 C35 136.6 . . . no C30 H32 C36 104.1 . . . no C30 H32 H5 111.1 . . . no C30 H32 H6 93.8 . . . no C30 H32 H10 131.5 . . . no C30 H32 H12 79.2 . . . no C30 H32 H15 139.9 . . . no C30 H32 H16 149.9 . . . no C30 H32 H20 53.8 . . . no C30 H32 H26 25.1 . . . no C30 H32 H27 92.7 . . . no C30 H32 H31 160.8 . . . no C31 H32 C32 14.1 . . . no C31 H32 C33 34.8 . . . no C31 H32 C34 55.2 . . . no C31 H32 C35 68.8 . . . no C31 H32 C36 35.7 . . . no C31 H32 H5 79.8 . . . no C31 H32 H6 90.5 . . . no C31 H32 H10 139.4 . . . no C31 H32 H12 145.7 . . . no C31 H32 H15 117.8 . . . no C31 H32 H16 141.4 . . . no C31 H32 H20 73.7 . . . no C31 H32 H26 75.1 . . . no C31 H32 H27 50.1 . . . no C31 H32 H31 95.1 . . . no C32 H32 C33 20.7 . . . no C32 H32 C34 41.2 . . . no C32 H32 C35 54.8 . . . no C32 H32 C36 21.7 . . . no C32 H32 H5 72.8 . . . no C32 H32 H6 88.8 . . . no C32 H32 H10 128.9 . . . no C32 H32 H12 158.7 . . . no C32 H32 H15 107.8 . . . no C32 H32 H16 127.3 . . . no C32 H32 H20 82.3 . . . no C32 H32 H26 87.6 . . . no C32 H32 H27 46.7 . . . no C32 H32 H31 81.1 . . . no C33 H32 C34 20.5 . . . no C33 H32 C35 34.1 . . . no C33 H32 C36 2.0 . . . no C33 H32 H5 62.9 . . . no C33 H32 H6 84.8 . . . no C33 H32 H10 111.0 . . . no C33 H32 H12 171.0 . . . no C33 H32 H15 93.3 . . . no C33 H32 H16 106.7 . . . no C33 H32 H20 96.6 . . . no C33 H32 H26 105.0 . . . no C33 H32 H27 49.1 . . . no C33 H32 H31 60.5 . . . no C34 H32 C35 13.6 . . . no C34 H32 C36 19.5 . . . no C34 H32 H5 54.7 . . . no C34 H32 H6 80.1 . . . no C34 H32 H10 92.0 . . . no C34 H32 H12 157.1 . . . no C34 H32 H15 79.7 . . . no C34 H32 H16 86.5 . . . no C34 H32 H20 111.3 . . . no C34 H32 H26 120.8 . . . no C34 H32 H27 58.4 . . . no C34 H32 H31 39.9 . . . no C35 H32 C36 33.1 . . . no C35 H32 H5 52.1 . . . no C35 H32 H6 77.9 . . . no C35 H32 H10 79.4 . . . no C35 H32 H12 144.2 . . . no C35 H32 H15 70.9 . . . no C35 H32 H16 73.1 . . . no C35 H32 H20 120.1 . . . no C35 H32 H26 130.3 . . . no C35 H32 H27 66.3 . . . no C35 H32 H31 26.3 . . . no C36 H32 H5 60.8 . . . no C36 H32 H6 82.9 . . . no C36 H32 H10 109.3 . . . no C36 H32 H12 172.5 . . . no C36 H32 H15 93.8 . . . no C36 H32 H16 106.0 . . . no C36 H32 H20 98.6 . . . no C36 H32 H26 104.8 . . . no C36 H32 H27 51.1 . . . no C36 H32 H31 59.4 . . . no H5 H32 H6 25.9 3_675 3_675 3_675 no H5 H32 H10 60.6 3_675 3_675 3_675 no H5 H32 H12 124.6 3_675 3_675 3_675 no H5 H32 H15 109.0 3_675 3_675 3_675 no H5 H32 H16 81.9 3_675 3_675 3_675 no H5 H32 H20 152.9 3_675 3_675 3_675 no H5 H32 H26 89.3 3_675 3_675 3_675 no H5 H32 H27 111.5 3_675 3_675 3_675 no H5 H32 H31 53.7 3_675 3_675 3_675 no H6 H32 H10 57.7 3_675 3_675 3_675 no H6 H32 H12 103.7 3_675 3_675 3_675 no H6 H32 H15 124.2 3_675 3_675 3_675 no H6 H32 H16 87.4 3_675 3_675 3_675 no H6 H32 H20 147.2 3_675 3_675 3_675 no H6 H32 H26 69.3 3_675 3_675 3_675 no H6 H32 H27 133.6 3_675 3_675 3_675 no H6 H32 H31 75.4 3_675 3_675 3_675 no H10 H32 H12 72.2 . . . no H10 H32 H15 71.7 . . . no H10 H32 H16 31.7 . . . no H10 H32 H20 146.4 . . . no H10 H32 H26 110.4 . . . no H10 H32 H27 135.7 . . . no H10 H32 H31 55.4 . . . no H12 H32 H15 79.6 . . . no H12 H32 H16 71.3 . . . no H12 H32 H20 77.8 . . . no H12 H32 H26 81.0 . . . no H12 H32 H27 122.6 . . . no H12 H32 H31 118.5 . . . no H15 H32 H16 40.0 . . . no H15 H32 H20 88.6 . . . no H15 H32 H26 158.7 . . . no H15 H32 H27 71.1 . . . no H15 H32 H31 56.4 . . . no H16 H32 H20 122.9 . . . no H16 H32 H26 138.3 . . . no H16 H32 H27 108.1 . . . no H16 H32 H31 47.2 . . . no H20 H32 H26 78.8 4_575 4_575 4_575 no H20 H32 H27 53.8 4_575 4_575 4_575 no H20 H32 H31 133.4 4_575 4_575 4_575 no H26 H32 H27 113.0 . . . no H26 H32 H31 143.0 . . . no H27 H32 H31 84.0 4_575 4_575 4_575 no #------------------------------------------------------------------------------ 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 ? ? ? ? ? ? #------------------------------------------------------------------------------ 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? # -- ENTER TORSION ANGLES HERE, ONE PER LINE -- # e.g. C1 C2 C3 C4 52.8(1) . . . . yes #------------------------------------------------------------------------------ #============================================================================== # Additional structures and associated data_? identifiers # should be added at this point if there is more than one # structure analysis in the CIF. #============================================================================== # End of CIF #============================================================================== data___1Me.HNO3___ _database_code_CSD 171687 #============================================================================== _audit_creation_date '2000-03-24' _audit_creation_method 'by teXsan for Windows v1.06' _audit_update_record ; ? ; _journal_coden_Cambridge 440 _publ_requested_journal 'New Journal of Chemistry' loop_ _publ_author_name 'Bagieu Beucher, M.' 'George, S.' 'Masse, R.' 'Muthuraman, M.' 'Nangia, A.' 'Nicoud, Jean-Francois' _publ_contact_author_name 'Dr A Nangia' _publ_contact_author_address ; School of Chemistry University of Hyderabad P O Central University Hyderabad 500046 INDIA ; _publ_contact_author_email 'ANSC@UOHYD.ERNET.IN' _publ_section_title ; Crystal Engineering of Neutral N-Aryl Pyrimidinones and their HCl, HNO3 Adducts With C-H...O Supramolecular Synthon. Implications Towards Non-Linear Optics ; # TITLE AND AUTHOR LIST _publ_section_title ; (1,2-dihydro-N-tolyl-4,6-dimethylpyrimidin-2-ones) HNO3 salt ; _publ_section_exptl_refinement ; All the H atoms have been located by Fourier difference and refined. An average thermal factor U~iso~ = 0.070 \%A^2^ is attributed to each H atom. ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation. (1997-1998). teXsan for Windows version 1.03. Single Crystal Structure Analysis Software. Version 1.04. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). J. Appl. Cryst., 26, 343. ; _publ_section_acknowledgements ; Financial support from the Indo-French Center for the Promotion of Advanced Research (IFCPAR contract no. 1708-1) is gratefully acknowledged. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #------------------------------------------------------------------------------ #============================================================================== _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan for Windows v. 1.06 (MSC, 1997-1999)' _computing_structure_solution ; SIR92 (Altomare, et. al. 1994) ; _computing_structure_refinement 'teXsan for Windows v. 1.06 (MSC, 1997-1999)' _computing_publication_material 'teXsan for Windows v. 1.06 (MSC, 1997-1999)' #------------------------------------------------------------------------------ _cell_length_a 26.559(3) _cell_length_b 6.373(1) _cell_length_c 8.079(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1367.4(1) _cell_formula_units_Z 4 _cell_measurement_temperature 569.4 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 10.0 _cell_measurement_theta_max 14.0 #------------------------------------------------------------------------------ _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n m a ' _symmetry_Int_Tables_number 62 _symmetry_space_group_name_Hall ? 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' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description 'NONE' _exptl_crystal_colour 'transparent' _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.43 _exptl_crystal_density_diffrn 1.347 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 277.28 _chemical_formula_analytical ? _chemical_formula_sum 'C13 H15 N3 O4' _chemical_formula_moiety 'C13 H15 N3 O4' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 584.00 _exptl_absorpt_coefficient_mu 0.102 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; #============================================================================== # EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 569.4 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device 'CAD4' _diffrn_measurement_method \w-2\q _diffrn_standards_number 2 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% -1.25 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? ? ? ? _diffrn_reflns_number 4314 _reflns_number_total 2333 _reflns_number_gt 773 _reflns_threshold_expression I>3.00\s(I) _diffrn_reflns_av_R_equivalents 0.035 _diffrn_reflns_av_sigmaI/netI 0.075 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 37 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 3.07 _diffrn_reflns_theta_max 29.96 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.03466 _diffrn_orient_matrix_UB_12 -0.02254 _diffrn_orient_matrix_UB_13 0.04500 _diffrn_orient_matrix_UB_21 0.01449 _diffrn_orient_matrix_UB_22 0.02749 _diffrn_orient_matrix_UB_23 -0.11215 _diffrn_orient_matrix_UB_31 0.00252 _diffrn_orient_matrix_UB_32 0.15283 _diffrn_orient_matrix_UB_33 0.02683 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 52 0.002 0.002 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; H 0 60 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; N 0 12 0.004 0.003 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; O 0 16 0.008 0.006 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #============================================================================== # ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom O(1) 0.35406(5) 0.2500 -0.0218(2) 0.0725(6) 0.500 ST Uani d ? O(2) 0.34022(6) -0.2500 0.4220(2) 0.0870(7) 0.500 ST Uani d ? O(3) 0.32838(6) -0.2500 0.1633(2) 0.0972(7) 0.500 ST Uani d ? O(4) 0.26467(6) -0.2500 0.3222(2) 0.0756(6) 0.500 ST Uani d ? N(1) 0.36180(6) 0.2500 0.2610(2) 0.0496(6) 0.500 ST Uani d ? N(2) 0.28240(6) 0.2500 0.1385(2) 0.0523(6) 0.500 ST Uani d ? N(3) 0.31188(7) -0.2500 0.3016(3) 0.0582(7) 0.500 ST Uani d ? C(1) 0.33400(7) 0.2500 0.1151(3) 0.0518(8) 0.500 ST Uani d ? C(2) 0.25939(7) 0.2500 0.2874(3) 0.0518(7) 0.500 ST Uani d ? C(3) 0.28844(8) 0.2500 0.4257(3) 0.0492(7) 0.500 ST Uani d ? C(4) 0.33949(8) 0.2500 0.4133(3) 0.0505(7) 0.500 ST Uani d ? C(5) 0.37075(9) 0.2500 0.5623(3) 0.0685(9) 0.500 ST Uani d ? C(6) 0.20396(8) 0.2500 0.2868(3) 0.0736(9) 0.500 ST Uani d ? C(7) 0.41603(7) 0.2500 0.2442(3) 0.0510(7) 0.500 ST Uani d ? C(8) 0.44118(6) 0.0685(3) 0.2367(3) 0.0914(7) 1.000 . Uani d ? C(9) 0.49278(6) 0.0698(3) 0.2209(3) 0.1010(8) 1.000 . Uani d ? C(10) 0.51973(7) 0.2500 0.2114(3) 0.0689(9) 0.500 ST Uani d ? C(11) 0.57630(9) 0.2500 0.1957(4) 0.0980(11) 0.500 ST Uani d ? H(1) 0.2676 0.2500 0.5473 0.048 0.500 S Uiso d ? H(2) 0.3501 0.2500 0.6573 0.083 0.500 S Uiso d ? H(3) 0.3912 0.1271 0.5633 0.083 1.000 . Uiso c ? H(4) 0.1920 0.2500 0.1753 0.089 0.500 S Uiso d ? H(5) 0.1923 0.1237 0.3345 0.089 1.000 . Uiso c ? H(6) 0.4239 -0.0618 0.2428 0.110 1.000 . Uiso c ? H(7) 0.5104 -0.0601 0.2157 0.121 1.000 . Uiso c ? H(8) 0.5894 0.1283 0.2479 0.117 1.000 . Uiso c ? H(9) 0.5853 0.2500 0.0822 0.117 0.500 S Uiso d ? H(10) 0.2612 0.2500 0.0399 0.062 0.500 S Uiso d ? 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 O(1) 0.0641(10) 0.100(1) 0.0530(10) 0.0000 0.0067(9) 0.0000 O(2) 0.0764(12) 0.102(2) 0.0829(12) 0.0000 -0.0061(10) 0.0000 O(3) 0.0855(13) 0.145(2) 0.0609(11) 0.0000 0.0153(10) 0.0000 O(4) 0.0581(10) 0.083(1) 0.0859(12) 0.0000 0.0100(9) 0.0000 N(1) 0.0391(10) 0.0540(12) 0.0557(11) 0.0000 -0.0033(9) 0.0000 N(2) 0.0387(10) 0.065(1) 0.0532(11) 0.0000 -0.0093(9) 0.0000 N(3) 0.0583(13) 0.0496(13) 0.067(1) 0.0000 0.0052(12) 0.0000 C(1) 0.046(1) 0.055(2) 0.054(1) 0.0000 0.0015(12) 0.0000 C(2) 0.0426(12) 0.046(1) 0.067(2) 0.0000 0.0155(12) 0.0000 C(3) 0.0450(13) 0.052(2) 0.0509(13) 0.0000 0.0029(11) 0.0000 C(4) 0.051(1) 0.044(2) 0.056(1) 0.0000 -0.0028(12) 0.0000 C(5) 0.082(2) 0.068(2) 0.055(1) 0.0000 -0.0139(13) 0.0000 C(6) 0.054(2) 0.089(2) 0.078(2) 0.0000 0.0045(13) 0.0000 C(7) 0.0388(12) 0.048(2) 0.066(2) 0.0000 -0.0041(12) 0.0000 C(8) 0.0521(10) 0.0501(11) 0.172(2) -0.0009(9) 0.0033(12) -0.012(2) C(9) 0.0519(11) 0.0540(12) 0.197(2) 0.0075(10) 0.0048(13) -0.005(2) C(10) 0.0352(13) 0.072(2) 0.100(2) 0.0000 -0.0046(13) 0.0000 C(11) 0.053(2) 0.106(3) 0.135(3) 0.0000 -0.004(2) 0.0000 #============================================================================== # REFINEMENT DATA _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00006|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 773 _refine_ls_number_parameters 115 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0644 _refine_ls_R_factor_gt 0.0640 _refine_ls_wR_factor_all 0.0610 _refine_ls_wR_factor_ref 0.0610 _refine_ls_goodness_of_fit_all 3.835 _refine_ls_goodness_of_fit_ref 3.830 _refine_ls_shift/su_max 0.0200 _refine_ls_shift/su_mean 0.0026 _refine_diff_density_min -0.34 _refine_diff_density_max 0.31 #============================================================================== # MOLECULAR GEOMETRY _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 O1 N1 2.294(5) . . ? O1 N2 2.302(5) . . ? O1 C1 1.228(6) . . ? O2 O3 2.114(6) . . ? O2 O4 2.162(5) . . ? O2 N1 3.49(2) . . ? O2 N1 3.49(2) . . ? O2 N2 3.697(5) . . ? O2 N3 1.229(5) . . ? O2 H1 3.86 . . no O2 H1 3.86 . . no O2 H2 3.72 . . no O2 H2 3.72 . . no O2 H3 2.99 . . no O2 H3 2.99 . . no O2 H4 2.22 . . no O2 H5 3.54 . . no O2 H5 3.54 . . no O2 H6 2.91 . . no O2 H6 2.91 . . no O2 H8 3.35 . . no O2 H8 3.35 . . no O2 H10 2.86 . . no O3 O4 2.124(5) . . ? O3 N3 1.201(5) . . ? O3 H1 2.72 . . no O3 H4 3.98 . . no O3 H5 2.83 . . no O3 H5 2.83 . . no O3 H6 2.88 . . no O3 H6 2.88 . . no O3 H9 3.03 . . no O3 H10 3.79 . . no O3 H10 3.86 . . no O3 H10 3.79 . . no O4 N2 3.55(2) . . ? O4 N2 2.845(5) . . ? O4 N2 3.55(2) . . ? O4 N3 1.265(5) . . ? O4 H1 3.67 . . no O4 H1 3.67 . . no O4 H1 2.38 . . no O4 H2 3.33 . . no O4 H4 3.91 . . no O4 H4 3.08 . . no O4 H4 3.91 . . no O4 H5 3.06 . . no O4 H5 3.06 . . no O4 H10 3.92 . . no O4 H10 1.89 . . no O4 H10 3.92 . . no N1 N2 2.329(6) . . ? N1 N3 3.467(6) . . ? N1 N3 3.467(6) . . ? N1 C1 1.391(6) . . ? N1 C4 1.365(6) . . ? N1 C7 1.447(6) . . ? N1 H1 3.41 . . no N1 H2 3.22 . . no N1 H3 2.68 . . no N1 H3 2.68 . . no N1 H6 2.59 . . no N1 H6 2.59 . . no N1 H10 3.21 . . no N2 N3 3.54(2) . . ? N2 N3 3.699(6) . . ? N2 N3 3.54(2) . . ? N2 C1 1.383(5) . . ? N2 C2 1.349(6) . . ? N2 H1 3.33 . . no N2 H1 3.53 . . no N2 H1 3.53 . . no N2 H4 2.42 . . no N2 H5 2.98 . . no N2 H5 2.98 . . no N2 H5 3.49 . . no N2 H5 3.49 . . no N2 H10 0.98 . . no N3 C1 3.57(2) . . ? N3 C1 3.57(2) . . ? N3 C2 3.480(3) . . ? N3 C2 3.480(3) . . ? N3 C3 3.40(2) . . ? N3 C3 3.40(2) . . ? N3 C4 3.39(2) . . ? N3 C4 3.39(2) . . ? N3 C6 3.943(7) . . ? N3 H1 3.93 . . no N3 H1 3.93 . . no N3 H1 2.95 . . no N3 H3 3.83 . . no N3 H3 3.83 . . no N3 H4 3.02 . . no N3 H5 3.98 . . no N3 H5 3.86 . . no N3 H5 3.98 . . no N3 H5 3.86 . . no N3 H6 3.24 . . no N3 H6 3.24 . . no N3 H10 2.73 . . no C2 C3 1.358(6) . . ? C2 C6 1.472(7) . . ? C3 C4 1.359(6) . . ? C3 H1 1.13 . . no C4 C5 1.462(7) . . ? C4 H2 1.99 . . no C4 H3 1.99 . . no C4 H3 1.99 . . no C5 H2 0.94 . . no C5 H3 0.95 . . no C5 H3 0.95 . . no C6 H4 0.95 . . no C6 H5 0.95 . . no C6 H5 0.95 . . no C7 C8 1.337(5) . . ? C7 C8 1.337(5) . . ? C8 C9 1.376(5) . . ? C8 H6 0.95 . . no C9 C10 1.355(5) . . ? C9 H7 0.95 . . no C10 C11 1.508(7) . . ? C10 H7 1.99 . . no C10 H7 1.99 . . no C11 H8 0.95 . . no C11 H8 0.95 . . no C11 H9 0.95 . . 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 O3 O1 O3 125.4(2) . . . ? O3 O1 O4 88.7(4) . . . ? O3 O1 N1 66.5(8) . . . ? O3 O1 N2 66.9(4) . . . ? O3 O1 C1 62.7(7) . . . ? O3 O1 C2 64.6(5) . . . ? O3 O1 C4 64.2(8) . . . ? O3 O1 C5 116.0(8) . . . ? O3 O1 C6 50.04(10) . . . ? O3 O1 C6 145.5(3) . . . ? O3 O1 C7 77.6(7) . . . ? O3 O1 C8 64.0(5) . . . ? O3 O1 C8 100.3(5) . . . ? O3 O1 C11 61.28(10) . . . ? O3 O1 C11 162.9(2) . . . ? O3 O1 H2 114.1 . . . no O3 O1 H3 104.4 . . . no O3 O1 H3 129.6 . . . no O3 O1 H5 50.3 . . . no O3 O1 H5 144.1 . . . no O3 O1 H6 48.2 . . . no O3 O1 H6 110.8 . . . no O3 O1 H8 160.8 . . . no O3 O1 H8 71.1 . . . no O3 O1 H9 49.9 . . . no O3 O1 H9 158.0 . . . no O3 O1 H10 74.4 . . . no O3 O1 O4 88.7(4) 1_565 1_565 1_565 ? O3 O1 N1 66.5(8) 1_565 1_565 1_565 ? O3 O1 N2 66.9(4) 1_565 1_565 1_565 ? O3 O1 C1 62.7(7) 1_565 1_565 1_565 ? O3 O1 C2 64.6(5) 1_565 1_565 1_565 ? O3 O1 C4 64.2(8) 1_565 1_565 1_565 ? O3 O1 C5 116.0(8) 1_565 1_565 1_565 ? O3 O1 C6 145.5(3) 1_565 1_565 1_565 ? O3 O1 C6 50.04(10) 1_565 1_565 1_565 ? O3 O1 C7 77.6(7) 1_565 1_565 1_565 ? O3 O1 C8 100.3(5) 1_565 1_565 1_565 ? O3 O1 C8 64.0(5) 1_565 1_565 1_565 ? O3 O1 C11 162.9(2) 1_565 1_565 1_565 ? O3 O1 C11 61.28(10) 1_565 1_565 1_565 ? O3 O1 H2 114.1 1_565 1_565 1_565 no O3 O1 H3 129.6 1_565 1_565 1_565 no O3 O1 H3 104.4 1_565 1_565 1_565 no O3 O1 H5 144.1 1_565 1_565 1_565 no O3 O1 H5 50.3 1_565 1_565 1_565 no O3 O1 H6 110.8 1_565 1_565 1_565 no O3 O1 H6 48.2 1_565 1_565 1_565 no O3 O1 H8 71.1 1_565 1_565 1_565 no O3 O1 H8 160.8 1_565 1_565 1_565 no O3 O1 H9 158.0 1_565 1_565 1_565 no O3 O1 H9 49.9 1_565 1_565 1_565 no O3 O1 H10 74.4 1_565 1_565 1_565 no O4 O1 N1 116.9(2) 4_554 4_554 4_554 ? O4 O1 N2 56.03(13) 4_554 4_554 4_554 ? O4 O1 C1 86.1(3) 4_554 4_554 4_554 ? O4 O1 C2 66.60(12) 4_554 4_554 4_554 ? O4 O1 C4 105.5(1) 4_554 4_554 4_554 ? O4 O1 C5 75.73(13) 4_554 4_554 4_554 ? O4 O1 C6 58.7(2) 4_554 4_554 4_554 ? O4 O1 C6 58.7(2) 4_554 4_554 4_554 ? O4 O1 C7 149.2(2) 4_554 4_554 4_554 ? O4 O1 C8 151.6(2) 4_554 4_554 4_554 ? O4 O1 C8 151.6(2) 4_554 4_554 4_554 ? O4 O1 C11 107.7(4) 4_554 4_554 4_554 ? O4 O1 C11 107.7(4) 4_554 4_554 4_554 ? O4 O1 H2 65.9 4_554 4_554 4_554 no O4 O1 H3 84.8 4_554 4_554 4_554 no O4 O1 H3 84.8 4_554 4_554 4_554 no O4 O1 H5 57.4 4_554 4_554 4_554 no O4 O1 H5 57.4 4_554 4_554 4_554 no O4 O1 H6 136.7 4_554 4_554 4_554 no O4 O1 H6 136.7 4_554 4_554 4_554 no O4 O1 H8 102.3 4_554 4_554 4_554 no O4 O1 H8 102.3 4_554 4_554 4_554 no O4 O1 H9 111.4 4_554 4_554 4_554 no O4 O1 H9 111.4 4_554 4_554 4_554 no O4 O1 H10 33.2 4_554 4_554 4_554 no N1 O1 N2 60.9(2) . . . ? N1 O1 C1 30.9(3) . . . ? N1 O1 C2 50.3(2) . . . ? N1 O1 C4 11.42(13) . . . ? N1 O1 C5 167.3(2) . . . ? N1 O1 C6 115.7(8) . . . ? N1 O1 C6 115.7(8) . . . ? N1 O1 C7 32.3(2) . . . ? N1 O1 C8 46.5(3) . . . ? N1 O1 C8 46.5(3) . . . ? N1 O1 C11 108.2(8) . . . ? N1 O1 C11 108.2(8) . . . ? N1 O1 H2 177.2 . . . no N1 O1 H3 155.2 . . . no N1 O1 H3 155.2 . . . no N1 O1 H5 115.7 . . . no N1 O1 H5 115.7 . . . no N1 O1 H6 48.4 . . . no N1 O1 H6 48.4 . . . no N1 O1 H8 119.9 . . . no N1 O1 H8 119.9 . . . no N1 O1 H9 95.4 . . . no N1 O1 H9 95.4 . . . no N1 O1 H10 83.7 . . . no N2 O1 C1 30.0(3) . . . ? N2 O1 C2 10.6(1) . . . ? N2 O1 C4 49.5(1) . . . ? N2 O1 C5 131.8(2) . . . ? N2 O1 C6 84.0(5) . . . ? N2 O1 C6 84.0(5) . . . ? N2 O1 C7 93.2(2) . . . ? N2 O1 C8 102.8(3) . . . ? N2 O1 C8 102.8(3) . . . ? N2 O1 C11 126.0(4) . . . ? N2 O1 C11 126.0(4) . . . ? N2 O1 H2 121.9 . . . no N2 O1 H3 139.0 . . . no N2 O1 H3 139.0 . . . no N2 O1 H5 82.8 . . . no N2 O1 H5 82.8 . . . no N2 O1 H6 95.5 . . . no N2 O1 H6 95.5 . . . no N2 O1 H8 132.2 . . . no N2 O1 H8 132.2 . . . no N2 O1 H9 116.5 . . . no N2 O1 H9 116.5 . . . no N2 O1 H10 22.8 . . . no C1 O1 C2 19.5(3) . . . ? C1 O1 C4 19.4(3) . . . ? C1 O1 C5 161.8(3) . . . ? C1 O1 C6 100.8(7) . . . ? C1 O1 C6 100.8(7) . . . ? C1 O1 C7 63.2(3) . . . ? C1 O1 C8 74.7(4) . . . ? C1 O1 C8 74.7(4) . . . ? C1 O1 C11 121.6(7) . . . ? C1 O1 C11 121.6(7) . . . ? C1 O1 H2 152.0 . . . no C1 O1 H3 164.3 . . . no C1 O1 H3 164.3 . . . no C1 O1 H5 100.1 . . . no C1 O1 H5 100.1 . . . no C1 O1 H6 71.1 . . . no C1 O1 H6 71.1 . . . no C1 O1 H8 132.9 . . . no C1 O1 H8 132.9 . . . no C1 O1 H9 108.4 . . . no C1 O1 H9 108.4 . . . no C1 O1 H10 52.8 . . . no C2 O1 C4 38.90(12) . . . ? C2 O1 C5 142.3(2) . . . ? C2 O1 C6 89.9(6) . . . ? C2 O1 C6 89.9(6) . . . ? C2 O1 C7 82.6(2) . . . ? C2 O1 C8 92.9(3) . . . ? C2 O1 C8 92.9(3) . . . ? C2 O1 C11 125.7(5) . . . ? C2 O1 C11 125.7(5) . . . ? C2 O1 H2 132.5 . . . no C2 O1 H3 148.8 . . . no C2 O1 H3 148.8 . . . no C2 O1 H5 88.9 . . . no C2 O1 H5 88.9 . . . no C2 O1 H6 86.8 . . . no C2 O1 H6 86.8 . . . no C2 O1 H8 134.2 . . . no C2 O1 H8 134.2 . . . no C2 O1 H9 114.4 . . . no C2 O1 H9 114.4 . . . no C2 O1 H10 33.4 . . . no C4 O1 C5 178.8(2) . . . ? C4 O1 C6 110.7(8) . . . ? C4 O1 C6 110.7(8) . . . ? C4 O1 C7 43.73(13) . . . ? C4 O1 C8 56.8(3) . . . ? C4 O1 C8 56.8(3) . . . ? C4 O1 C11 113.9(8) . . . ? C4 O1 C11 113.9(8) . . . ? C4 O1 H2 171.4 . . . no C4 O1 H3 163.9 . . . no C4 O1 H3 163.9 . . . no C4 O1 H5 110.4 . . . no C4 O1 H5 110.4 . . . no C4 O1 H6 56.2 . . . no C4 O1 H6 56.2 . . . no C4 O1 H8 125.9 . . . no C4 O1 H8 125.9 . . . no C4 O1 H9 100.6 . . . no C4 O1 H9 100.6 . . . no C4 O1 H10 72.3 . . . no C5 O1 C6 69.8(8) 1_554 1_554 1_554 ? C5 O1 C6 69.8(8) 1_554 1_554 1_554 ? C5 O1 C7 135.0(2) 1_554 1_554 1_554 ? C5 O1 C8 122.1(3) 1_554 1_554 1_554 ? C5 O1 C8 122.1(3) 1_554 1_554 1_554 ? C5 O1 C11 65.5(8) 1_554 1_554 1_554 ? C5 O1 C11 65.5(8) 1_554 1_554 1_554 ? C5 O1 H2 9.8 1_554 1_554 1_554 no C5 O1 H3 15.4 1_554 1_554 1_554 no C5 O1 H3 15.4 1_554 1_554 1_554 no C5 O1 H5 70.2 1_554 1_554 1_554 no C5 O1 H5 70.2 1_554 1_554 1_554 no C5 O1 H6 122.9 1_554 1_554 1_554 no C5 O1 H6 122.9 1_554 1_554 1_554 no C5 O1 H8 53.5 1_554 1_554 1_554 no C5 O1 H8 53.5 1_554 1_554 1_554 no C5 O1 H9 78.9 1_554 1_554 1_554 no C5 O1 H9 78.9 1_554 1_554 1_554 no C5 O1 H10 109.0 1_554 1_554 1_554 no C6 O1 C6 111.2(2) 4_554 4_554 4_554 ? C6 O1 C7 124.1(6) 4_554 4_554 4_554 ? C6 O1 C8 104.0(4) 4_554 4_554 4_554 ? C6 O1 C8 144.7(4) 4_554 4_554 4_554 ? C6 O1 C11 51.5(3) 4_554 4_554 4_554 ? C6 O1 C11 135.3(2) 4_554 4_554 4_554 ? C6 O1 H2 65.4 4_554 4_554 4_554 no C6 O1 H3 63.6 4_554 4_554 4_554 no C6 O1 H3 85.2 4_554 4_554 4_554 no C6 O1 H5 1.4 4_554 4_554 4_554 no C6 O1 H5 110.2 4_554 4_554 4_554 no C6 O1 H6 89.3 4_554 4_554 4_554 no C6 O1 H6 159.3 4_554 4_554 4_554 no C6 O1 H8 123.4 4_554 4_554 4_554 no C6 O1 H8 51.1 4_554 4_554 4_554 no C6 O1 H9 52.7 4_554 4_554 4_554 no C6 O1 H9 148.6 4_554 4_554 4_554 no C6 O1 H10 71.8 4_554 4_554 4_554 no C6 O1 C7 124.1(6) 4_564 4_564 4_564 ? C6 O1 C8 144.7(4) 4_564 4_564 4_564 ? C6 O1 C8 104.0(4) 4_564 4_564 4_564 ? C6 O1 C11 135.3(2) 4_564 4_564 4_564 ? C6 O1 C11 51.5(3) 4_564 4_564 4_564 ? C6 O1 H2 65.4 4_564 4_564 4_564 no C6 O1 H3 85.2 4_564 4_564 4_564 no C6 O1 H3 63.6 4_564 4_564 4_564 no C6 O1 H5 110.2 4_564 4_564 4_564 no C6 O1 H5 1.4 4_564 4_564 4_564 no C6 O1 H6 159.3 4_564 4_564 4_564 no C6 O1 H6 89.3 4_564 4_564 4_564 no C6 O1 H8 51.1 4_564 4_564 4_564 no C6 O1 H8 123.4 4_564 4_564 4_564 no C6 O1 H9 148.6 4_564 4_564 4_564 no C6 O1 H9 52.7 4_564 4_564 4_564 no C6 O1 H10 71.8 4_564 4_564 4_564 no C7 O1 C8 22.8(2) . . . ? C7 O1 C8 22.8(2) . . . ? C7 O1 C11 89.9(7) . . . ? C7 O1 C11 89.9(7) . . . ? C7 O1 H2 144.9 . . . no C7 O1 H3 125.1 . . . no C7 O1 H3 125.1 . . . no C7 O1 H5 124.9 . . . no C7 O1 H5 124.9 . . . no C7 O1 H6 35.2 . . . no C7 O1 H6 35.2 . . . no C7 O1 H8 99.1 . . . no C7 O1 H8 99.1 . . . no C7 O1 H9 80.5 . . . no C7 O1 H9 80.5 . . . no C7 O1 H10 116.0 . . . no C8 O1 C8 40.7(2) . . . ? C8 O1 C11 67.4(5) . . . ? C8 O1 C11 100.3(6) . . . ? C8 O1 H2 131.0 . . . no C8 O1 H3 108.7 . . . no C8 O1 H3 118.2 . . . no C8 O1 H5 105.0 . . . no C8 O1 H5 145.7 . . . no C8 O1 H6 15.9 . . . no C8 O1 H6 55.8 . . . no C8 O1 H8 106.2 . . . no C8 O1 H8 77.4 . . . no C8 O1 H9 57.7 . . . no C8 O1 H9 94.7 . . . no C8 O1 H10 123.9 . . . no C8 O1 C11 100.3(6) 7 7 7 ? C8 O1 C11 67.4(5) 7 7 7 ? C8 O1 H2 131.0 7 7 7 no C8 O1 H3 118.2 7 7 7 no C8 O1 H3 108.7 7 7 7 no C8 O1 H5 145.7 7 7 7 no C8 O1 H5 105.0 7 7 7 no C8 O1 H6 55.8 7 7 7 no C8 O1 H6 15.9 7 7 7 no C8 O1 H8 77.4 7 7 7 no C8 O1 H8 106.2 7 7 7 no C8 O1 H9 94.7 7 7 7 no C8 O1 H9 57.7 7 7 7 no C8 O1 H10 123.9 7 7 7 no C11 O1 C11 107.8(2) 3_645 3_645 3_645 ? C11 O1 H2 70.3 3_645 3_645 3_645 no C11 O1 H3 50.2 3_645 3_645 3_645 no C11 O1 H3 73.4 3_645 3_645 3_645 no C11 O1 H5 52.9 3_645 3_645 3_645 no C11 O1 H5 135.6 3_645 3_645 3_645 no C11 O1 H6 60.3 3_645 3_645 3_645 no C11 O1 H6 115.6 3_645 3_645 3_645 no C11 O1 H8 100.1 3_645 3_645 3_645 no C11 O1 H8 12.0 3_645 3_645 3_645 no C11 O1 H9 13.5 3_645 3_645 3_645 no C11 O1 H9 117.2 3_645 3_645 3_645 no C11 O1 H10 122.0 3_645 3_645 3_645 no C11 O1 H2 70.3 3_655 3_655 3_655 no C11 O1 H3 73.4 3_655 3_655 3_655 no C11 O1 H3 50.2 3_655 3_655 3_655 no C11 O1 H5 135.6 3_655 3_655 3_655 no C11 O1 H5 52.9 3_655 3_655 3_655 no C11 O1 H6 115.6 3_655 3_655 3_655 no C11 O1 H6 60.3 3_655 3_655 3_655 no C11 O1 H8 12.0 3_655 3_655 3_655 no C11 O1 H8 100.1 3_655 3_655 3_655 no C11 O1 H9 117.2 3_655 3_655 3_655 no C11 O1 H9 13.5 3_655 3_655 3_655 no C11 O1 H10 122.0 3_655 3_655 3_655 no H2 O1 H3 22.5 1_554 1_554 1_554 no H2 O1 H3 22.5 1_554 1_554 1_554 no H2 O1 H5 65.6 1_554 1_554 1_554 no H2 O1 H5 65.6 1_554 1_554 1_554 no H2 O1 H6 129.7 1_554 1_554 1_554 no H2 O1 H6 129.7 1_554 1_554 1_554 no H2 O1 H8 58.5 1_554 1_554 1_554 no H2 O1 H8 58.5 1_554 1_554 1_554 no H2 O1 H9 83.3 1_554 1_554 1_554 no H2 O1 H9 83.3 1_554 1_554 1_554 no H2 O1 H10 99.1 1_554 1_554 1_554 no H3 O1 H3 25.3 1_554 1_554 1_554 no H3 O1 H5 64.3 1_554 1_554 1_554 no H3 O1 H5 85.6 1_554 1_554 1_554 no H3 O1 H6 107.8 1_554 1_554 1_554 no H3 O1 H6 123.8 1_554 1_554 1_554 no H3 O1 H8 61.8 1_554 1_554 1_554 no H3 O1 H8 38.3 1_554 1_554 1_554 no H3 O1 H9 63.7 1_554 1_554 1_554 no H3 O1 H9 86.8 1_554 1_554 1_554 no H3 O1 H10 117.1 1_554 1_554 1_554 no H3 O1 H5 85.6 7_554 7_554 7_554 no H3 O1 H5 64.3 7_554 7_554 7_554 no H3 O1 H6 123.8 7_554 7_554 7_554 no H3 O1 H6 107.8 7_554 7_554 7_554 no H3 O1 H8 38.3 7_554 7_554 7_554 no H3 O1 H8 61.8 7_554 7_554 7_554 no H3 O1 H9 86.8 7_554 7_554 7_554 no H3 O1 H9 63.7 7_554 7_554 7_554 no H3 O1 H10 117.1 7_554 7_554 7_554 no H5 O1 H5 109.2 4_554 4_554 4_554 no H5 O1 H6 90.2 4_554 4_554 4_554 no H5 O1 H6 160.0 4_554 4_554 4_554 no H5 O1 H8 123.7 4_554 4_554 4_554 no H5 O1 H8 52.4 4_554 4_554 4_554 no H5 O1 H9 54.1 4_554 4_554 4_554 no H5 O1 H9 148.8 4_554 4_554 4_554 no H5 O1 H10 70.5 4_554 4_554 4_554 no H5 O1 H6 160.0 6_554 6_554 6_554 no H5 O1 H6 90.2 6_554 6_554 6_554 no H5 O1 H8 52.4 6_554 6_554 6_554 no H5 O1 H8 123.7 6_554 6_554 6_554 no H5 O1 H9 148.8 6_554 6_554 6_554 no H5 O1 H9 54.1 6_554 6_554 6_554 no H5 O1 H10 70.5 6_554 6_554 6_554 no H6 O1 H6 70.1 . . . no H6 O1 H8 120.4 . . . no H6 O1 H8 71.7 . . . no H6 O1 H9 48.4 . . . no H6 O1 H9 110.6 . . . no H6 O1 H10 113.8 . . . no H6 O1 H8 71.7 7 7 7 no H6 O1 H8 120.4 7 7 7 no H6 O1 H9 110.6 7 7 7 no H6 O1 H9 48.4 7 7 7 no H6 O1 H10 113.8 7 7 7 no H8 O1 H8 91.1 3_655 3_655 3_655 no H8 O1 H9 111.1 3_655 3_655 3_655 no H8 O1 H9 25.4 3_655 3_655 3_655 no H8 O1 H10 122.9 3_655 3_655 3_655 no H8 O1 H9 25.4 5_655 5_655 5_655 no H8 O1 H9 111.1 5_655 5_655 5_655 no H8 O1 H10 122.9 5_655 5_655 5_655 no H9 O1 H9 124.3 3_645 3_645 3_645 no H9 O1 H10 117.7 3_645 3_645 3_645 no H9 O1 H10 117.7 3_655 3_655 3_655 no O3 O2 O4 59.6(2) . . . ? O3 O2 N1 69.9(8) . . . ? O3 O2 N1 69.9(8) . . . ? O3 O2 N2 109.7(2) . . . ? O3 O2 N3 29.2(3) . . . ? O3 O2 C2 69.6(8) . . . ? O3 O2 C2 129.6(2) . . . ? O3 O2 C2 69.6(8) . . . ? O3 O2 C3 87.1(9) . . . ? O3 O2 C3 87.1(9) . . . ? O3 O2 C4 88.7(10) . . . ? O3 O2 C4 88.7(10) . . . ? O3 O2 C5 110.9(9) . . . ? O3 O2 C5 110.9(9) . . . ? O3 O2 C6 149.7(2) . . . ? O3 O2 C8 72.9(5) . . . ? O3 O2 C8 72.9(5) . . . ? O3 O2 C11 152.9(2) . . . ? O3 O2 H1 100.7 . . . no O3 O2 H1 100.7 . . . no O3 O2 H2 121.1 . . . no O3 O2 H2 121.1 . . . no O3 O2 H3 116.5 . . . no O3 O2 H3 116.5 . . . no O3 O2 H4 148.7 . . . no O3 O2 H5 153.6 . . . no O3 O2 H5 153.6 . . . no O3 O2 H6 67.8 . . . no O3 O2 H6 67.8 . . . no O3 O2 H8 150.5 . . . no O3 O2 H8 150.5 . . . no O3 O2 H10 100.9 . . . no O4 O2 N1 90.8(4) . . . ? O4 O2 N1 90.8(4) . . . ? O4 O2 N2 50.1(1) . . . ? O4 O2 N3 30.4(3) . . . ? O4 O2 C2 53.1(2) . . . ? O4 O2 C2 70.0(2) . . . ? O4 O2 C2 53.1(2) . . . ? O4 O2 C3 68.6(4) . . . ? O4 O2 C3 68.6(4) . . . ? O4 O2 C4 89.2(4) . . . ? O4 O2 C4 89.2(4) . . . ? O4 O2 C5 109.7(3) . . . ? O4 O2 C5 109.7(3) . . . ? O4 O2 C6 90.2(2) . . . ? O4 O2 C8 121.6(4) . . . ? O4 O2 C8 121.6(4) . . . ? O4 O2 C11 147.6(2) . . . ? O4 O2 H1 68.6 . . . no O4 O2 H1 68.6 . . . no O4 O2 H2 104.8 . . . no O4 O2 H2 104.8 . . . no O4 O2 H3 124.3 . . . no O4 O2 H3 124.3 . . . no O4 O2 H4 89.2 . . . no O4 O2 H5 97.2 . . . no O4 O2 H5 97.2 . . . no O4 O2 H6 121.5 . . . no O4 O2 H6 121.5 . . . no O4 O2 H8 144.6 . . . no O4 O2 H8 144.6 . . . no O4 O2 H10 41.4 . . . no N1 O2 N1 131.9(2) . . . ? N1 O2 N2 108.7(4) . . . ? N1 O2 N3 78.8(7) . . . ? N1 O2 C2 42.1(2) . . . ? N1 O2 C2 112.8(6) . . . ? N1 O2 C2 135.7(2) . . . ? N1 O2 C3 39.6(2) . . . ? N1 O2 C3 155.1(2) . . . ? N1 O2 C4 23.0(2) . . . ? N1 O2 C4 154.9(2) . . . ? N1 O2 C5 41.10(11) . . . ? N1 O2 C5 156.9(2) . . . ? N1 O2 C6 114.0(8) . . . ? N1 O2 C8 39.2(2) . . . ? N1 O2 C8 103.4(2) . . . ? N1 O2 C11 101.9(7) . . . ? N1 O2 H1 55.0 . . . no N1 O2 H1 159.0 . . . no N1 O2 H2 52.9 . . . no N1 O2 H2 164.0 . . . no N1 O2 H3 48.1 . . . no N1 O2 H3 143.4 . . . no N1 O2 H4 114.0 . . . no N1 O2 H5 100.6 . . . no N1 O2 H5 126.8 . . . no N1 O2 H6 46.6 . . . no N1 O2 H6 93.8 . . . no N1 O2 H8 114.6 . . . no N1 O2 H8 89.6 . . . no N1 O2 H10 106.2 . . . no N1 O2 N2 108.7(4) 1_545 1_545 1_545 ? N1 O2 N3 78.8(7) 1_545 1_545 1_545 ? N1 O2 C2 135.7(2) 1_545 1_545 1_545 ? N1 O2 C2 112.8(6) 1_545 1_545 1_545 ? N1 O2 C2 42.1(2) 1_545 1_545 1_545 ? N1 O2 C3 155.1(2) 1_545 1_545 1_545 ? N1 O2 C3 39.6(2) 1_545 1_545 1_545 ? N1 O2 C4 154.9(2) 1_545 1_545 1_545 ? N1 O2 C4 23.0(2) 1_545 1_545 1_545 ? N1 O2 C5 156.9(2) 1_545 1_545 1_545 ? N1 O2 C5 41.10(11) 1_545 1_545 1_545 ? N1 O2 C6 114.0(8) 1_545 1_545 1_545 ? N1 O2 C8 103.4(2) 1_545 1_545 1_545 ? N1 O2 C8 39.2(2) 1_545 1_545 1_545 ? N1 O2 C11 101.9(7) 1_545 1_545 1_545 ? N1 O2 H1 159.0 1_545 1_545 1_545 no N1 O2 H1 55.0 1_545 1_545 1_545 no N1 O2 H2 164.0 1_545 1_545 1_545 no N1 O2 H2 52.9 1_545 1_545 1_545 no N1 O2 H3 143.4 1_545 1_545 1_545 no N1 O2 H3 48.1 1_545 1_545 1_545 no N1 O2 H4 114.0 1_545 1_545 1_545 no N1 O2 H5 126.8 1_545 1_545 1_545 no N1 O2 H5 100.6 1_545 1_545 1_545 no N1 O2 H6 93.8 1_545 1_545 1_545 no N1 O2 H6 46.6 1_545 1_545 1_545 no N1 O2 H8 89.6 1_545 1_545 1_545 no N1 O2 H8 114.6 1_545 1_545 1_545 no N1 O2 H10 106.2 1_545 1_545 1_545 no N2 O2 N3 80.5(3) 4 4 4 ? N2 O2 C2 69.8(5) 4 4 4 ? N2 O2 C2 19.89(9) 4 4 4 ? N2 O2 C2 69.8(5) 4 4 4 ? N2 O2 C3 69.3(5) 4 4 4 ? N2 O2 C3 69.3(5) 4 4 4 ? N2 O2 C4 90.3(5) 4 4 4 ? N2 O2 C4 90.3(5) 4 4 4 ? N2 O2 C5 92.9(5) 4 4 4 ? N2 O2 C5 92.9(5) 4 4 4 ? N2 O2 C6 40.05(12) 4 4 4 ? N2 O2 C8 146.5(2) 4 4 4 ? N2 O2 C8 146.5(2) 4 4 4 ? N2 O2 C11 97.4(2) 4 4 4 ? N2 O2 H1 55.7 4 4 4 no N2 O2 H1 55.7 4 4 4 no N2 O2 H2 79.7 4 4 4 no N2 O2 H2 79.7 4 4 4 no N2 O2 H3 102.6 4 4 4 no N2 O2 H3 102.6 4 4 4 no N2 O2 H4 39.0 4 4 4 no N2 O2 H5 48.6 4 4 4 no N2 O2 H5 48.6 4 4 4 no N2 O2 H6 155.2 4 4 4 no N2 O2 H6 155.2 4 4 4 no N2 O2 H8 96.6 4 4 4 no N2 O2 H8 96.6 4 4 4 no N2 O2 H10 8.8 4 4 4 no N3 O2 C2 57.0(6) . . . ? N3 O2 C2 100.4(3) . . . ? N3 O2 C2 57.0(6) . . . ? N3 O2 C3 76.4(8) . . . ? N3 O2 C3 76.4(8) . . . ? N3 O2 C4 88.8(8) . . . ? N3 O2 C4 88.8(8) . . . ? N3 O2 C5 113.6(7) . . . ? N3 O2 C5 113.6(7) . . . ? N3 O2 C6 120.6(3) . . . ? N3 O2 C8 97.1(5) . . . ? N3 O2 C8 97.1(5) . . . ? N3 O2 C11 177.9(3) . . . ? N3 O2 H1 84.4 . . . no N3 O2 H1 84.4 . . . no N3 O2 H2 116.6 . . . no N3 O2 H2 116.6 . . . no N3 O2 H3 125.5 . . . no N3 O2 H3 125.5 . . . no N3 O2 H4 119.6 . . . no N3 O2 H5 126.6 . . . no N3 O2 H5 126.6 . . . no N3 O2 H6 94.2 . . . no N3 O2 H6 94.2 . . . no N3 O2 H8 166.3 . . . no N3 O2 H8 166.3 . . . no N3 O2 H10 71.7 . . . no C2 O2 C2 81.0(6) . . . ? C2 O2 C2 105.9(2) . . . ? C2 O2 C3 19.4(2) . . . ? C2 O2 C3 121.5(2) . . . ? C2 O2 C4 36.2(2) . . . ? C2 O2 C4 142.1(2) . . . ? C2 O2 C5 58.87(11) . . . ? C2 O2 C5 160.9(2) . . . ? C2 O2 C6 93.1(7) . . . ? C2 O2 C8 80.8(4) . . . ? C2 O2 C8 136.1(3) . . . ? C2 O2 C11 122.3(6) . . . ? C2 O2 H1 31.1 . . . no C2 O2 H1 117.5 . . . no C2 O2 H2 59.6 . . . no C2 O2 H2 149.4 . . . no C2 O2 H3 72.9 . . . no C2 O2 H3 172.1 . . . no C2 O2 H4 92.5 . . . no C2 O2 H5 86.8 . . . no C2 O2 H5 107.9 . . . no C2 O2 H6 86.9 . . . no C2 O2 H6 127.1 . . . no C2 O2 H8 134.6 . . . no C2 O2 H8 109.4 . . . no C2 O2 H10 65.4 . . . no C2 O2 C2 81.0(6) 4 4 4 ? C2 O2 C3 74.3(7) 4 4 4 ? C2 O2 C3 74.3(7) 4 4 4 ? C2 O2 C4 90.7(8) 4 4 4 ? C2 O2 C4 90.7(8) 4 4 4 ? C2 O2 C5 85.0(7) 4 4 4 ? C2 O2 C5 85.0(7) 4 4 4 ? C2 O2 C6 20.16(12) 4 4 4 ? C2 O2 C8 142.1(4) 4 4 4 ? C2 O2 C8 142.1(4) 4 4 4 ? C2 O2 C11 77.5(1) 4 4 4 ? C2 O2 H1 58.1 4 4 4 no C2 O2 H1 58.1 4 4 4 no C2 O2 H2 70.5 4 4 4 no C2 O2 H2 70.5 4 4 4 no C2 O2 H3 91.0 4 4 4 no C2 O2 H3 91.0 4 4 4 no C2 O2 H4 19.2 4 4 4 no C2 O2 H5 30.1 4 4 4 no C2 O2 H5 30.1 4 4 4 no C2 O2 H6 151.6 4 4 4 no C2 O2 H6 151.6 4 4 4 no C2 O2 H8 77.3 4 4 4 no C2 O2 H8 77.3 4 4 4 no C2 O2 H10 28.7 4 4 4 no C2 O2 C3 121.5(2) 1_545 1_545 1_545 ? C2 O2 C3 19.4(2) 1_545 1_545 1_545 ? C2 O2 C4 142.1(2) 1_545 1_545 1_545 ? C2 O2 C4 36.2(2) 1_545 1_545 1_545 ? C2 O2 C5 160.9(2) 1_545 1_545 1_545 ? C2 O2 C5 58.87(11) 1_545 1_545 1_545 ? C2 O2 C6 93.1(7) 1_545 1_545 1_545 ? C2 O2 C8 136.1(3) 1_545 1_545 1_545 ? C2 O2 C8 80.8(4) 1_545 1_545 1_545 ? C2 O2 C11 122.3(6) 1_545 1_545 1_545 ? C2 O2 H1 117.5 1_545 1_545 1_545 no C2 O2 H1 31.1 1_545 1_545 1_545 no C2 O2 H2 149.4 1_545 1_545 1_545 no C2 O2 H2 59.6 1_545 1_545 1_545 no C2 O2 H3 172.1 1_545 1_545 1_545 no C2 O2 H3 72.9 1_545 1_545 1_545 no C2 O2 H4 92.5 1_545 1_545 1_545 no C2 O2 H5 107.9 1_545 1_545 1_545 no C2 O2 H5 86.8 1_545 1_545 1_545 no C2 O2 H6 127.1 1_545 1_545 1_545 no C2 O2 H6 86.9 1_545 1_545 1_545 no C2 O2 H8 109.4 1_545 1_545 1_545 no C2 O2 H8 134.6 1_545 1_545 1_545 no C2 O2 H10 65.4 1_545 1_545 1_545 no C3 O2 C3 133.3(2) . . . ? C3 O2 C4 23.06(10) . . . ? C3 O2 C4 156.3(2) . . . ? C3 O2 C5 41.3(2) . . . ? C3 O2 C5 158.5(2) . . . ? C3 O2 C6 81.1(9) . . . ? C3 O2 C8 77.6(3) . . . ? C3 O2 C8 143.0(4) . . . ? C3 O2 C11 102.9(8) . . . ? C3 O2 H1 16.6 . . . no C3 O2 H1 123.9 . . . no C3 O2 H2 40.3 . . . no C3 O2 H2 144.1 . . . no C3 O2 H3 55.8 . . . no C3 O2 H3 156.3 . . . no C3 O2 H4 80.7 . . . no C3 O2 H5 71.7 . . . no C3 O2 H5 96.0 . . . no C3 O2 H6 85.9 . . . no C3 O2 H6 133.2 . . . no C3 O2 H8 115.3 . . . no C3 O2 H8 90.1 . . . no C3 O2 H10 67.9 . . . no C3 O2 C4 156.3(2) 1_545 1_545 1_545 ? C3 O2 C4 23.06(10) 1_545 1_545 1_545 ? C3 O2 C5 158.5(2) 1_545 1_545 1_545 ? C3 O2 C5 41.3(2) 1_545 1_545 1_545 ? C3 O2 C6 81.1(9) 1_545 1_545 1_545 ? C3 O2 C8 143.0(4) 1_545 1_545 1_545 ? C3 O2 C8 77.6(3) 1_545 1_545 1_545 ? C3 O2 C11 102.9(8) 1_545 1_545 1_545 ? C3 O2 H1 123.9 1_545 1_545 1_545 no C3 O2 H1 16.6 1_545 1_545 1_545 no C3 O2 H2 144.1 1_545 1_545 1_545 no C3 O2 H2 40.3 1_545 1_545 1_545 no C3 O2 H3 156.3 1_545 1_545 1_545 no C3 O2 H3 55.8 1_545 1_545 1_545 no C3 O2 H4 80.7 1_545 1_545 1_545 no C3 O2 H5 96.0 1_545 1_545 1_545 no C3 O2 H5 71.7 1_545 1_545 1_545 no C3 O2 H6 133.2 1_545 1_545 1_545 no C3 O2 H6 85.9 1_545 1_545 1_545 no C3 O2 H8 90.1 1_545 1_545 1_545 no C3 O2 H8 115.3 1_545 1_545 1_545 no C3 O2 H10 67.9 1_545 1_545 1_545 no C4 O2 C4 177.4(2) . . . ? C4 O2 C5 24.9(2) . . . ? C4 O2 C5 157.6(2) . . . ? C4 O2 C6 91.0(9) . . . ? C4 O2 C8 56.2(4) . . . ? C4 O2 C8 123.1(4) . . . ? C4 O2 C11 91.2(8) . . . ? C4 O2 H1 34.6 . . . no C4 O2 H1 145.9 . . . no C4 O2 H2 32.4 . . . no C4 O2 H2 150.2 . . . no C4 O2 H3 37.5 . . . no C4 O2 H3 144.7 . . . no C4 O2 H4 91.0 . . . no C4 O2 H5 78.0 . . . no C4 O2 H5 104.3 . . . no C4 O2 H6 65.3 . . . no C4 O2 H6 113.9 . . . no C4 O2 H8 104.6 . . . no C4 O2 H8 77.8 . . . no C4 O2 H10 90.1 . . . no C4 O2 C5 157.6(2) 1_545 1_545 1_545 ? C4 O2 C5 24.9(2) 1_545 1_545 1_545 ? C4 O2 C6 91.0(9) 1_545 1_545 1_545 ? C4 O2 C8 123.1(4) 1_545 1_545 1_545 ? C4 O2 C8 56.2(4) 1_545 1_545 1_545 ? C4 O2 C11 91.2(8) 1_545 1_545 1_545 ? C4 O2 H1 145.9 1_545 1_545 1_545 no C4 O2 H1 34.6 1_545 1_545 1_545 no C4 O2 H2 150.2 1_545 1_545 1_545 no C4 O2 H2 32.4 1_545 1_545 1_545 no C4 O2 H3 144.7 1_545 1_545 1_545 no C4 O2 H3 37.5 1_545 1_545 1_545 no C4 O2 H4 91.0 1_545 1_545 1_545 no C4 O2 H5 104.3 1_545 1_545 1_545 no C4 O2 H5 78.0 1_545 1_545 1_545 no C4 O2 H6 113.9 1_545 1_545 1_545 no C4 O2 H6 65.3 1_545 1_545 1_545 no C4 O2 H8 77.8 1_545 1_545 1_545 no C4 O2 H8 104.6 1_545 1_545 1_545 no C4 O2 H10 90.1 1_545 1_545 1_545 no C5 O2 C5 132.7(2) . . . ? C5 O2 C6 77.5(8) . . . ? C5 O2 C8 57.1(3) . . . ? C5 O2 C8 117.9(4) . . . ? C5 O2 C11 66.4(7) . . . ? C5 O2 H1 43.5 . . . no C5 O2 H1 141.9 . . . no C5 O2 H2 14.6 . . . no C5 O2 H2 127.0 . . . no C5 O2 H3 14.6 . . . no C5 O2 H3 120.5 . . . no C5 O2 H4 77.8 . . . no C5 O2 H5 62.7 . . . no C5 O2 H5 87.6 . . . no C5 O2 H6 66.8 . . . no C5 O2 H6 111.2 . . . no C5 O2 H8 79.8 . . . no C5 O2 H8 53.0 . . . no C5 O2 H10 96.4 . . . no C5 O2 C6 77.5(8) 1_545 1_545 1_545 ? C5 O2 C8 117.9(4) 1_545 1_545 1_545 ? C5 O2 C8 57.1(3) 1_545 1_545 1_545 ? C5 O2 C11 66.4(7) 1_545 1_545 1_545 ? C5 O2 H1 141.9 1_545 1_545 1_545 no C5 O2 H1 43.5 1_545 1_545 1_545 no C5 O2 H2 127.0 1_545 1_545 1_545 no C5 O2 H2 14.6 1_545 1_545 1_545 no C5 O2 H3 120.5 1_545 1_545 1_545 no C5 O2 H3 14.6 1_545 1_545 1_545 no C5 O2 H4 77.8 1_545 1_545 1_545 no C5 O2 H5 87.6 1_545 1_545 1_545 no C5 O2 H5 62.7 1_545 1_545 1_545 no C5 O2 H6 111.2 1_545 1_545 1_545 no C5 O2 H6 66.8 1_545 1_545 1_545 no C5 O2 H8 53.0 1_545 1_545 1_545 no C5 O2 H8 79.8 1_545 1_545 1_545 no C5 O2 H10 96.4 1_545 1_545 1_545 no C6 O2 C8 130.3(5) 4 4 4 ? C6 O2 C8 130.3(5) 4 4 4 ? C6 O2 C11 57.4(2) 4 4 4 ? C6 O2 H1 64.6 4 4 4 no C6 O2 H1 64.6 4 4 4 no C6 O2 H2 63.3 4 4 4 no C6 O2 H2 63.3 4 4 4 no C6 O2 H3 79.2 4 4 4 no C6 O2 H3 79.2 4 4 4 no C6 O2 H4 1.0 4 4 4 no C6 O2 H5 15.0 4 4 4 no C6 O2 H5 15.0 4 4 4 no C6 O2 H6 138.1 4 4 4 no C6 O2 H6 138.1 4 4 4 no C6 O2 H8 57.8 4 4 4 no C6 O2 H8 57.8 4 4 4 no C6 O2 H10 48.8 4 4 4 no C8 O2 C8 66.9(2) . . . ? C8 O2 C11 84.6(5) . . . ? C8 O2 H1 90.9 . . . no C8 O2 H1 157.8 . . . no C8 O2 H2 71.6 . . . no C8 O2 H2 128.9 . . . no C8 O2 H3 51.8 . . . no C8 O2 H3 105.6 . . . no C8 O2 H4 131.0 . . . no C8 O2 H5 115.8 . . . no C8 O2 H5 133.4 . . . no C8 O2 H6 9.7 . . . no C8 O2 H6 57.9 . . . no C8 O2 H8 92.6 . . . no C8 O2 H8 77.8 . . . no C8 O2 H10 145.3 . . . no C8 O2 C11 84.6(5) 7_545 7_545 7_545 ? C8 O2 H1 157.8 7_545 7_545 7_545 no C8 O2 H1 90.9 7_545 7_545 7_545 no C8 O2 H2 128.9 7_545 7_545 7_545 no C8 O2 H2 71.6 7_545 7_545 7_545 no C8 O2 H3 105.6 7_545 7_545 7_545 no C8 O2 H3 51.8 7_545 7_545 7_545 no C8 O2 H4 131.0 7_545 7_545 7_545 no C8 O2 H5 133.4 7_545 7_545 7_545 no C8 O2 H5 115.8 7_545 7_545 7_545 no C8 O2 H6 57.9 7_545 7_545 7_545 no C8 O2 H6 9.7 7_545 7_545 7_545 no C8 O2 H8 77.8 7_545 7_545 7_545 no C8 O2 H8 92.6 7_545 7_545 7_545 no C8 O2 H10 145.3 7_545 7_545 7_545 no C11 O2 H1 94.5 3_646 3_646 3_646 no C11 O2 H1 94.5 3_646 3_646 3_646 no C11 O2 H2 62.8 3_646 3_646 3_646 no C11 O2 H2 62.8 3_646 3_646 3_646 no C11 O2 H3 54.9 3_646 3_646 3_646 no C11 O2 H3 54.9 3_646 3_646 3_646 no C11 O2 H4 58.4 3_646 3_646 3_646 no C11 O2 H5 51.4 3_646 3_646 3_646 no C11 O2 H5 51.4 3_646 3_646 3_646 no C11 O2 H6 87.6 3_646 3_646 3_646 no C11 O2 H6 87.6 3_646 3_646 3_646 no C11 O2 H8 13.4 3_646 3_646 3_646 no C11 O2 H8 13.4 3_646 3_646 3_646 no C11 O2 H10 106.2 3_646 3_646 3_646 no H1 O2 H1 111.3 . . . no H1 O2 H2 36.3 . . . no H1 O2 H2 127.5 . . . no H1 O2 H3 57.4 . . . no H1 O2 H3 142.3 . . . no H1 O2 H4 64.2 . . . no H1 O2 H5 56.1 . . . no H1 O2 H5 79.6 . . . no H1 O2 H6 99.9 . . . no H1 O2 H6 148.4 . . . no H1 O2 H8 105.1 . . . no H1 O2 H8 83.0 . . . no H1 O2 H10 56.1 . . . no H1 O2 H2 127.5 1_545 1_545 1_545 no H1 O2 H2 36.3 1_545 1_545 1_545 no H1 O2 H3 142.3 1_545 1_545 1_545 no H1 O2 H3 57.4 1_545 1_545 1_545 no H1 O2 H4 64.2 1_545 1_545 1_545 no H1 O2 H5 79.6 1_545 1_545 1_545 no H1 O2 H5 56.1 1_545 1_545 1_545 no H1 O2 H6 148.4 1_545 1_545 1_545 no H1 O2 H6 99.9 1_545 1_545 1_545 no H1 O2 H8 83.0 1_545 1_545 1_545 no H1 O2 H8 105.1 1_545 1_545 1_545 no H1 O2 H10 56.1 1_545 1_545 1_545 no H2 O2 H2 117.9 . . . no H2 O2 H3 23.5 . . . no H2 O2 H3 117.5 . . . no H2 O2 H4 63.6 . . . no H2 O2 H5 48.7 . . . no H2 O2 H5 74.4 . . . no H2 O2 H6 81.2 . . . no H2 O2 H6 123.6 . . . no H2 O2 H8 75.6 . . . no H2 O2 H8 49.8 . . . no H2 O2 H10 84.0 . . . no H2 O2 H3 117.5 1_545 1_545 1_545 no H2 O2 H3 23.5 1_545 1_545 1_545 no H2 O2 H4 63.6 1_545 1_545 1_545 no H2 O2 H5 74.4 1_545 1_545 1_545 no H2 O2 H5 48.7 1_545 1_545 1_545 no H2 O2 H6 123.6 1_545 1_545 1_545 no H2 O2 H6 81.2 1_545 1_545 1_545 no H2 O2 H8 49.8 1_545 1_545 1_545 no H2 O2 H8 75.6 1_545 1_545 1_545 no H2 O2 H10 84.0 1_545 1_545 1_545 no H3 O2 H3 107.2 . . . no H3 O2 H4 79.8 . . . no H3 O2 H5 64.3 . . . no H3 O2 H5 86.2 . . . no H3 O2 H6 60.8 . . . no H3 O2 H6 100.1 . . . no H3 O2 H8 68.2 . . . no H3 O2 H8 41.9 . . . no H3 O2 H10 107.5 . . . no H3 O2 H4 79.8 7_545 7_545 7_545 no H3 O2 H5 86.2 7_545 7_545 7_545 no H3 O2 H5 64.3 7_545 7_545 7_545 no H3 O2 H6 100.1 7_545 7_545 7_545 no H3 O2 H6 60.8 7_545 7_545 7_545 no H3 O2 H8 41.9 7_545 7_545 7_545 no H3 O2 H8 68.2 7_545 7_545 7_545 no H3 O2 H10 107.5 7_545 7_545 7_545 no H4 O2 H5 15.5 4 4 4 no H4 O2 H5 15.5 4 4 4 no H4 O2 H6 138.9 4 4 4 no H4 O2 H6 138.9 4 4 4 no H4 O2 H8 58.7 4 4 4 no H4 O2 H8 58.7 4 4 4 no H4 O2 H10 47.8 4 4 4 no H5 O2 H5 26.3 4 4 4 no H5 O2 H6 124.1 4 4 4 no H5 O2 H6 138.5 4 4 4 no H5 O2 H8 55.8 4 4 4 no H5 O2 H8 48.1 4 4 4 no H5 O2 H10 57.0 4 4 4 no H5 O2 H6 138.5 6_545 6_545 6_545 no H5 O2 H6 124.1 6_545 6_545 6_545 no H5 O2 H8 48.1 6_545 6_545 6_545 no H5 O2 H8 55.8 6_545 6_545 6_545 no H5 O2 H10 57.0 6_545 6_545 6_545 no H6 O2 H6 48.7 . . . no H6 O2 H8 93.7 . . . no H6 O2 H8 82.8 . . . no H6 O2 H10 152.3 . . . no H6 O2 H8 82.8 7_545 7_545 7_545 no H6 O2 H8 93.7 7_545 7_545 7_545 no H6 O2 H10 152.3 7_545 7_545 7_545 no H8 O2 H8 26.8 3_646 3_646 3_646 no H8 O2 H10 105.1 3_646 3_646 3_646 no H8 O2 H10 105.1 5_656 5_656 5_656 no O1 O3 O1 125.4(2) . . . ? O1 O3 O2 112.6(8) . . . ? O1 O3 O4 113.8(4) . . . ? O1 O3 N1 38.23(13) . . . ? O1 O3 N1 151.6(2) . . . ? O1 O3 N2 38.3(2) . . . ? O1 O3 N2 150.7(2) . . . ? O1 O3 N3 117.2(7) . . . ? O1 O3 C1 19.9(2) . . . ? O1 O3 C1 145.3(3) . . . ? O1 O3 C2 57.18(9) . . . ? O1 O3 C2 160.8(2) . . . ? O1 O3 C2 77.6(7) . . . ? O1 O3 C3 63.9(2) . . . ? O1 O3 C3 170.6(2) . . . ? O1 O3 C3 86.7(5) . . . ? O1 O3 C4 57.28(13) . . . ? O1 O3 C4 163.0(2) . . . ? O1 O3 C6 69.5(8) . . . ? O1 O3 C7 41.36(8) . . . ? O1 O3 C7 131.7(2) . . . ? O1 O3 C8 54.6(1) . . . ? O1 O3 C8 113.8(3) . . . ? O1 O3 C11 63.9(6) . . . ? O1 O3 H1 92.0 . . . no O1 O3 H4 67.2 . . . no O1 O3 H5 84.2 . . . no O1 O3 H5 52.6 . . . no O1 O3 H6 63.6 . . . no O1 O3 H6 107.2 . . . no O1 O3 H9 65.4 . . . no O1 O3 H10 39.8 . . . no O1 O3 H10 116.5 . . . no O1 O3 H10 136.7 . . . no O1 O3 O2 112.6(8) 1_545 1_545 1_545 ? O1 O3 O4 113.8(4) 1_545 1_545 1_545 ? O1 O3 N1 151.6(2) 1_545 1_545 1_545 ? O1 O3 N1 38.23(13) 1_545 1_545 1_545 ? O1 O3 N2 150.7(2) 1_545 1_545 1_545 ? O1 O3 N2 38.3(2) 1_545 1_545 1_545 ? O1 O3 N3 117.2(7) 1_545 1_545 1_545 ? O1 O3 C1 145.3(3) 1_545 1_545 1_545 ? O1 O3 C1 19.9(2) 1_545 1_545 1_545 ? O1 O3 C2 160.8(2) 1_545 1_545 1_545 ? O1 O3 C2 57.18(9) 1_545 1_545 1_545 ? O1 O3 C2 77.6(7) 1_545 1_545 1_545 ? O1 O3 C3 170.6(2) 1_545 1_545 1_545 ? O1 O3 C3 63.9(2) 1_545 1_545 1_545 ? O1 O3 C3 86.7(5) 1_545 1_545 1_545 ? O1 O3 C4 163.0(2) 1_545 1_545 1_545 ? O1 O3 C4 57.28(13) 1_545 1_545 1_545 ? O1 O3 C6 69.5(8) 1_545 1_545 1_545 ? O1 O3 C7 131.7(2) 1_545 1_545 1_545 ? O1 O3 C7 41.36(8) 1_545 1_545 1_545 ? O1 O3 C8 113.8(3) 1_545 1_545 1_545 ? O1 O3 C8 54.6(1) 1_545 1_545 1_545 ? O1 O3 C11 63.9(6) 1_545 1_545 1_545 ? O1 O3 H1 92.0 1_545 1_545 1_545 no O1 O3 H4 67.2 1_545 1_545 1_545 no O1 O3 H5 52.6 1_545 1_545 1_545 no O1 O3 H5 84.2 1_545 1_545 1_545 no O1 O3 H6 107.2 1_545 1_545 1_545 no O1 O3 H6 63.6 1_545 1_545 1_545 no O1 O3 H9 65.4 1_545 1_545 1_545 no O1 O3 H10 136.7 1_545 1_545 1_545 no O1 O3 H10 116.5 1_545 1_545 1_545 no O1 O3 H10 39.8 1_545 1_545 1_545 no O2 O3 O4 61.4(2) . . . ? O2 O3 N1 74.4(9) . . . ? O2 O3 N1 74.4(9) . . . ? O2 O3 N2 96.4(9) . . . ? O2 O3 N2 96.4(9) . . . ? O2 O3 N3 30.0(3) . . . ? O2 O3 C1 96.5(10) . . . ? O2 O3 C1 96.5(10) . . . ? O2 O3 C2 79.1(8) . . . ? O2 O3 C2 79.1(8) . . . ? O2 O3 C2 151.0(2) . . . ? O2 O3 C3 60.8(7) . . . ? O2 O3 C3 60.8(7) . . . ? O2 O3 C3 130.3(2) . . . ? O2 O3 C4 57.4(7) . . . ? O2 O3 C4 57.4(7) . . . ? O2 O3 C6 172.8(2) . . . ? O2 O3 C7 75.6(8) . . . ? O2 O3 C7 75.6(8) . . . ? O2 O3 C8 73.7(6) . . . ? O2 O3 C8 73.7(6) . . . ? O2 O3 C11 130.3(2) . . . ? O2 O3 H1 118.7 . . . no O2 O3 H4 179.3 . . . no O2 O3 H5 163.2 . . . no O2 O3 H5 163.2 . . . no O2 O3 H6 69.4 . . . no O2 O3 H6 69.4 . . . no O2 O3 H9 122.3 . . . no O2 O3 H10 109.3 . . . no O2 O3 H10 46.6 . . . no O2 O3 H10 109.3 . . . no O4 O3 N1 93.9(6) . . . ? O4 O3 N1 93.9(6) . . . ? O4 O3 N2 75.6(6) . . . ? O4 O3 N2 75.6(6) . . . ? O4 O3 N3 31.4(3) . . . ? O4 O3 C1 96.3(6) . . . ? O4 O3 C1 96.3(6) . . . ? O4 O3 C2 57.2(5) . . . ? O4 O3 C2 57.2(5) . . . ? O4 O3 C2 89.7(2) . . . ? O4 O3 C3 57.6(3) . . . ? O4 O3 C3 57.6(3) . . . ? O4 O3 C3 68.9(2) . . . ? O4 O3 C4 74.9(4) . . . ? O4 O3 C4 74.9(4) . . . ? O4 O3 C6 111.4(2) . . . ? O4 O3 C7 111.4(6) . . . ? O4 O3 C7 111.4(6) . . . ? O4 O3 C8 123.6(5) . . . ? O4 O3 C8 123.6(5) . . . ? O4 O3 C11 168.3(2) . . . ? O4 O3 H1 57.4 . . . no O4 O3 H4 119.3 . . . no O4 O3 H5 114.4 . . . no O4 O3 H5 114.4 . . . no O4 O3 H6 124.6 . . . no O4 O3 H6 124.6 . . . no O4 O3 H9 176.3 . . . no O4 O3 H10 77.5 . . . no O4 O3 H10 14.8 . . . no O4 O3 H10 77.5 . . . no N1 O3 N1 139.1(2) . . . ? N1 O3 N2 39.95(10) . . . ? N1 O3 N2 168.6(2) . . . ? N1 O3 N3 83.1(9) . . . ? N1 O3 C1 24.07(12) . . . ? N1 O3 C1 160.9(2) . . . ? N1 O3 C2 44.0(2) . . . ? N1 O3 C2 148.0(2) . . . ? N1 O3 C2 110.1(7) . . . ? N1 O3 C3 36.3(3) . . . ? N1 O3 C3 134.2(3) . . . ? N1 O3 C3 110.1(5) . . . ? N1 O3 C4 21.0(2) . . . ? N1 O3 C4 130.1(3) . . . ? N1 O3 C6 107.1(9) . . . ? N1 O3 C7 20.57(9) . . . ? N1 O3 C7 123.8(1) . . . ? N1 O3 C8 39.70(12) . . . ? N1 O3 C8 105.5(2) . . . ? N1 O3 C11 90.2(7) . . . ? N1 O3 H1 109.0 . . . no N1 O3 H4 105.4 . . . no N1 O3 H5 122.4 . . . no N1 O3 H5 90.1 . . . no N1 O3 H6 47.8 . . . no N1 O3 H6 96.2 . . . no N1 O3 H9 87.4 . . . no N1 O3 H10 52.8 . . . no N1 O3 H10 88.7 . . . no N1 O3 H10 166.6 . . . no N1 O3 N2 168.6(2) 1_545 1_545 1_545 ? N1 O3 N2 39.95(10) 1_545 1_545 1_545 ? N1 O3 N3 83.1(9) 1_545 1_545 1_545 ? N1 O3 C1 160.9(2) 1_545 1_545 1_545 ? N1 O3 C1 24.07(12) 1_545 1_545 1_545 ? N1 O3 C2 148.0(2) 1_545 1_545 1_545 ? N1 O3 C2 44.0(2) 1_545 1_545 1_545 ? N1 O3 C2 110.1(7) 1_545 1_545 1_545 ? N1 O3 C3 134.2(3) 1_545 1_545 1_545 ? N1 O3 C3 36.3(3) 1_545 1_545 1_545 ? N1 O3 C3 110.1(5) 1_545 1_545 1_545 ? N1 O3 C4 130.1(3) 1_545 1_545 1_545 ? N1 O3 C4 21.0(2) 1_545 1_545 1_545 ? N1 O3 C6 107.1(9) 1_545 1_545 1_545 ? N1 O3 C7 123.8(1) 1_545 1_545 1_545 ? N1 O3 C7 20.57(9) 1_545 1_545 1_545 ? N1 O3 C8 105.5(2) 1_545 1_545 1_545 ? N1 O3 C8 39.70(12) 1_545 1_545 1_545 ? N1 O3 C11 90.2(7) 1_545 1_545 1_545 ? N1 O3 H1 109.0 1_545 1_545 1_545 no N1 O3 H4 105.4 1_545 1_545 1_545 no N1 O3 H5 90.1 1_545 1_545 1_545 no N1 O3 H5 122.4 1_545 1_545 1_545 no N1 O3 H6 96.2 1_545 1_545 1_545 no N1 O3 H6 47.8 1_545 1_545 1_545 no N1 O3 H9 87.4 1_545 1_545 1_545 no N1 O3 H10 166.6 1_545 1_545 1_545 no N1 O3 H10 88.7 1_545 1_545 1_545 no N1 O3 H10 52.8 1_545 1_545 1_545 no N2 O3 N2 137.6(2) . . . ? N2 O3 N3 85.6(9) . . . ? N2 O3 C1 23.82(10) . . . ? N2 O3 C1 159.0(2) . . . ? N2 O3 C2 20.6(2) . . . ? N2 O3 C2 128.5(2) . . . ? N2 O3 C2 74.7(8) . . . ? N2 O3 C3 35.7(3) . . . ? N2 O3 C3 133.1(3) . . . ? N2 O3 C3 70.5(5) . . . ? N2 O3 C4 43.5(3) . . . ? N2 O3 C4 147.6(3) . . . ? N2 O3 C6 81.2(9) . . . ? N2 O3 C7 58.32(11) . . . ? N2 O3 C7 163.8(2) . . . ? N2 O3 C8 77.6(2) . . . ? N2 O3 C8 144.8(2) . . . ? N2 O3 C11 101.0(7) . . . ? N2 O3 H1 69.2 . . . no N2 O3 H4 83.9 . . . no N2 O3 H5 98.1 . . . no N2 O3 H5 67.1 . . . no N2 O3 H6 86.5 . . . no N2 O3 H6 135.7 . . . no N2 O3 H9 103.4 . . . no N2 O3 H10 14.4 . . . no N2 O3 H10 80.0 . . . no N2 O3 H10 126.9 . . . no N2 O3 N3 85.6(9) 1_545 1_545 1_545 ? N2 O3 C1 159.0(2) 1_545 1_545 1_545 ? N2 O3 C1 23.82(10) 1_545 1_545 1_545 ? N2 O3 C2 128.5(2) 1_545 1_545 1_545 ? N2 O3 C2 20.6(2) 1_545 1_545 1_545 ? N2 O3 C2 74.7(8) 1_545 1_545 1_545 ? N2 O3 C3 133.1(3) 1_545 1_545 1_545 ? N2 O3 C3 35.7(3) 1_545 1_545 1_545 ? N2 O3 C3 70.5(5) 1_545 1_545 1_545 ? N2 O3 C4 147.6(3) 1_545 1_545 1_545 ? N2 O3 C4 43.5(3) 1_545 1_545 1_545 ? N2 O3 C6 81.2(9) 1_545 1_545 1_545 ? N2 O3 C7 163.8(2) 1_545 1_545 1_545 ? N2 O3 C7 58.32(11) 1_545 1_545 1_545 ? N2 O3 C8 144.8(2) 1_545 1_545 1_545 ? N2 O3 C8 77.6(2) 1_545 1_545 1_545 ? N2 O3 C11 101.0(7) 1_545 1_545 1_545 ? N2 O3 H1 69.2 1_545 1_545 1_545 no N2 O3 H4 83.9 1_545 1_545 1_545 no N2 O3 H5 67.1 1_545 1_545 1_545 no N2 O3 H5 98.1 1_545 1_545 1_545 no N2 O3 H6 135.7 1_545 1_545 1_545 no N2 O3 H6 86.5 1_545 1_545 1_545 no N2 O3 H9 103.4 1_545 1_545 1_545 no N2 O3 H10 126.9 1_545 1_545 1_545 no N2 O3 H10 80.0 1_545 1_545 1_545 no N2 O3 H10 14.4 1_545 1_545 1_545 no N3 O3 C1 97.5(9) . . . ? N3 O3 C1 97.5(9) . . . ? N3 O3 C2 65.1(8) . . . ? N3 O3 C2 65.1(8) . . . ? N3 O3 C2 121.1(3) . . . ? N3 O3 C3 53.5(6) . . . ? N3 O3 C3 53.5(6) . . . ? N3 O3 C3 100.3(3) . . . ? N3 O3 C4 62.1(7) . . . ? N3 O3 C4 62.1(7) . . . ? N3 O3 C6 142.8(3) . . . ? N3 O3 C7 93.5(8) . . . ? N3 O3 C7 93.5(8) . . . ? N3 O3 C8 98.5(6) . . . ? N3 O3 C8 98.5(6) . . . ? N3 O3 C11 160.3(4) . . . ? N3 O3 H1 88.8 . . . no N3 O3 H4 150.7 . . . no N3 O3 H5 143.4 . . . no N3 O3 H5 143.4 . . . no N3 O3 H6 96.5 . . . no N3 O3 H6 96.5 . . . no N3 O3 H9 152.3 . . . no N3 O3 H10 94.2 . . . no N3 O3 H10 16.6 . . . no N3 O3 H10 94.2 . . . no C1 O3 C1 165.1(2) . . . ? C1 O3 C2 39.2(2) . . . ? C1 O3 C2 152.1(2) . . . ? C1 O3 C2 86.1(8) . . . ? C1 O3 C3 44.1(3) . . . ? C1 O3 C3 150.8(3) . . . ? C1 O3 C3 88.6(5) . . . ? C1 O3 C4 39.3(3) . . . ? C1 O3 C4 153.6(3) . . . ? C1 O3 C6 84.0(10) . . . ? C1 O3 C7 37.1(1) . . . ? C1 O3 C7 141.5(2) . . . ? C1 O3 C8 55.4(2) . . . ? C1 O3 C8 122.0(2) . . . ? C1 O3 C11 83.0(8) . . . ? C1 O3 H1 90.1 . . . no C1 O3 H4 83.5 . . . no C1 O3 H5 100.2 . . . no C1 O3 H5 67.2 . . . no C1 O3 H6 64.7 . . . no C1 O3 H6 113.5 . . . no C1 O3 H9 83.4 . . . no C1 O3 H10 32.4 . . . no C1 O3 H10 97.1 . . . no C1 O3 H10 145.6 . . . no C1 O3 C2 152.1(2) 1_545 1_545 1_545 ? C1 O3 C2 39.2(2) 1_545 1_545 1_545 ? C1 O3 C2 86.1(8) 1_545 1_545 1_545 ? C1 O3 C3 150.8(3) 1_545 1_545 1_545 ? C1 O3 C3 44.1(3) 1_545 1_545 1_545 ? C1 O3 C3 88.6(5) 1_545 1_545 1_545 ? C1 O3 C4 153.6(3) 1_545 1_545 1_545 ? C1 O3 C4 39.3(3) 1_545 1_545 1_545 ? C1 O3 C6 84.0(10) 1_545 1_545 1_545 ? C1 O3 C7 141.5(2) 1_545 1_545 1_545 ? C1 O3 C7 37.1(1) 1_545 1_545 1_545 ? C1 O3 C8 122.0(2) 1_545 1_545 1_545 ? C1 O3 C8 55.4(2) 1_545 1_545 1_545 ? C1 O3 C11 83.0(8) 1_545 1_545 1_545 ? C1 O3 H1 90.1 1_545 1_545 1_545 no C1 O3 H4 83.5 1_545 1_545 1_545 no C1 O3 H5 67.2 1_545 1_545 1_545 no C1 O3 H5 100.2 1_545 1_545 1_545 no C1 O3 H6 113.5 1_545 1_545 1_545 no C1 O3 H6 64.7 1_545 1_545 1_545 no C1 O3 H9 83.4 1_545 1_545 1_545 no C1 O3 H10 145.6 1_545 1_545 1_545 no C1 O3 H10 97.1 1_545 1_545 1_545 no C1 O3 H10 32.4 1_545 1_545 1_545 no C2 O3 C2 113.5(2) . . . ? C2 O3 C2 85.2(7) . . . ? C2 O3 C3 20.0(2) . . . ? C2 O3 C3 113.7(2) . . . ? C2 O3 C3 74.3(5) . . . ? C2 O3 C4 36.2(2) . . . ? C2 O3 C4 127.0(2) . . . ? C2 O3 C6 97.0(8) . . . ? C2 O3 C7 64.6(2) . . . ? C2 O3 C7 154.6(2) . . . ? C2 O3 C8 83.5(3) . . . ? C2 O3 C8 144.4(2) . . . ? C2 O3 C11 121.0(6) . . . ? C2 O3 H1 68.9 . . . no C2 O3 H4 101.3 . . . no C2 O3 H5 113.1 . . . no C2 O3 H5 85.2 . . . no C2 O3 H6 91.0 . . . no C2 O3 H6 135.5 . . . no C2 O3 H9 122.4 . . . no C2 O3 H10 30.5 . . . no C2 O3 H10 59.8 . . . no C2 O3 H10 123.1 . . . no C2 O3 C2 85.2(7) 1_545 1_545 1_545 ? C2 O3 C3 113.7(2) 1_545 1_545 1_545 ? C2 O3 C3 20.0(2) 1_545 1_545 1_545 ? C2 O3 C3 74.3(5) 1_545 1_545 1_545 ? C2 O3 C4 127.0(2) 1_545 1_545 1_545 ? C2 O3 C4 36.2(2) 1_545 1_545 1_545 ? C2 O3 C6 97.0(8) 1_545 1_545 1_545 ? C2 O3 C7 154.6(2) 1_545 1_545 1_545 ? C2 O3 C7 64.6(2) 1_545 1_545 1_545 ? C2 O3 C8 144.4(2) 1_545 1_545 1_545 ? C2 O3 C8 83.5(3) 1_545 1_545 1_545 ? C2 O3 C11 121.0(6) 1_545 1_545 1_545 ? C2 O3 H1 68.9 1_545 1_545 1_545 no C2 O3 H4 101.3 1_545 1_545 1_545 no C2 O3 H5 85.2 1_545 1_545 1_545 no C2 O3 H5 113.1 1_545 1_545 1_545 no C2 O3 H6 135.5 1_545 1_545 1_545 no C2 O3 H6 91.0 1_545 1_545 1_545 no C2 O3 H9 122.4 1_545 1_545 1_545 no C2 O3 H10 123.1 1_545 1_545 1_545 no C2 O3 H10 59.8 1_545 1_545 1_545 no C2 O3 H10 30.5 1_545 1_545 1_545 no C2 O3 C3 105.1(6) 4_554 4_554 4_554 ? C2 O3 C3 105.1(6) 4_554 4_554 4_554 ? C2 O3 C3 20.75(10) 4_554 4_554 4_554 ? C2 O3 C4 118.1(5) 4_554 4_554 4_554 ? C2 O3 C4 118.1(5) 4_554 4_554 4_554 ? C2 O3 C6 21.74(12) 4_554 4_554 4_554 ? C2 O3 C7 118.9(7) 4_554 4_554 4_554 ? C2 O3 C7 118.9(7) 4_554 4_554 4_554 ? C2 O3 C8 128.7(5) 4_554 4_554 4_554 ? C2 O3 C8 128.7(5) 4_554 4_554 4_554 ? C2 O3 C11 78.6(1) 4_554 4_554 4_554 ? C2 O3 H1 32.3 4_554 4_554 4_554 no C2 O3 H4 29.7 4_554 4_554 4_554 no C2 O3 H5 30.4 4_554 4_554 4_554 no C2 O3 H5 30.4 4_554 4_554 4_554 no C2 O3 H6 135.5 4_554 4_554 4_554 no C2 O3 H6 135.5 4_554 4_554 4_554 no C2 O3 H9 86.6 4_554 4_554 4_554 no C2 O3 H10 60.3 4_554 4_554 4_554 no C2 O3 H10 104.5 4_554 4_554 4_554 no C2 O3 H10 60.3 4_554 4_554 4_554 no C3 O3 C3 106.7(2) . . . ? C3 O3 C3 93.1(4) . . . ? C3 O3 C4 20.0(2) . . . ? C3 O3 C4 114.3(1) . . . ? C3 O3 C6 116.2(7) . . . ? C3 O3 C7 55.2(3) . . . ? C3 O3 C7 135.0(2) . . . ? C3 O3 C8 71.8(3) . . . ? C3 O3 C8 125.2(2) . . . ? C3 O3 C11 125.3(4) . . . ? C3 O3 H1 86.2 . . . no C3 O3 H4 119.5 . . . no C3 O3 H5 132.7 . . . no C3 O3 H5 102.8 . . . no C3 O3 H6 77.4 . . . no C3 O3 H6 116.8 . . . no C3 O3 H9 123.5 . . . no C3 O3 H10 48.6 . . . no C3 O3 H10 54.2 . . . no C3 O3 H10 133.6 . . . no C3 O3 C3 93.1(4) 1_545 1_545 1_545 ? C3 O3 C4 114.3(1) 1_545 1_545 1_545 ? C3 O3 C4 20.0(2) 1_545 1_545 1_545 ? C3 O3 C6 116.2(7) 1_545 1_545 1_545 ? C3 O3 C7 135.0(2) 1_545 1_545 1_545 ? C3 O3 C7 55.2(3) 1_545 1_545 1_545 ? C3 O3 C8 125.2(2) 1_545 1_545 1_545 ? C3 O3 C8 71.8(3) 1_545 1_545 1_545 ? C3 O3 C11 125.3(4) 1_545 1_545 1_545 ? C3 O3 H1 86.2 1_545 1_545 1_545 no C3 O3 H4 119.5 1_545 1_545 1_545 no C3 O3 H5 102.8 1_545 1_545 1_545 no C3 O3 H5 132.7 1_545 1_545 1_545 no C3 O3 H6 116.8 1_545 1_545 1_545 no C3 O3 H6 77.4 1_545 1_545 1_545 no C3 O3 H9 123.5 1_545 1_545 1_545 no C3 O3 H10 133.6 1_545 1_545 1_545 no C3 O3 H10 54.2 1_545 1_545 1_545 no C3 O3 H10 48.6 1_545 1_545 1_545 no C3 O3 C4 110.3(3) 4_554 4_554 4_554 ? C3 O3 C4 110.3(3) 4_554 4_554 4_554 ? C3 O3 C6 42.48(13) 4_554 4_554 4_554 ? C3 O3 C7 125.5(4) 4_554 4_554 4_554 ? C3 O3 C7 125.5(4) 4_554 4_554 4_554 ? C3 O3 C8 141.2(4) 4_554 4_554 4_554 ? C3 O3 C8 141.2(4) 4_554 4_554 4_554 ? C3 O3 C11 99.4(2) 4_554 4_554 4_554 ? C3 O3 H1 11.6 4_554 4_554 4_554 no C3 O3 H4 50.4 4_554 4_554 4_554 no C3 O3 H5 48.8 4_554 4_554 4_554 no C3 O3 H5 48.8 4_554 4_554 4_554 no C3 O3 H6 150.1 4_554 4_554 4_554 no C3 O3 H6 150.1 4_554 4_554 4_554 no C3 O3 H9 107.4 4_554 4_554 4_554 no C3 O3 H10 57.4 4_554 4_554 4_554 no C3 O3 H10 83.7 4_554 4_554 4_554 no C3 O3 H10 57.4 4_554 4_554 4_554 no C4 O3 C4 114.7(2) . . . ? C4 O3 C6 122.3(7) . . . ? C4 O3 C7 36.5(2) . . . ? C4 O3 C7 122.6(2) . . . ? C4 O3 C8 52.0(2) . . . ? C4 O3 C8 108.4(2) . . . ? C4 O3 C11 110.5(5) . . . ? C4 O3 H1 104.9 . . . no C4 O3 H4 122.6 . . . no C4 O3 H5 139.1 . . . no C4 O3 H5 106.1 . . . no C4 O3 H6 57.4 . . . no C4 O3 H6 99.4 . . . no C4 O3 H9 106.9 . . . no C4 O3 H10 57.9 . . . no C4 O3 H10 68.1 . . . no C4 O3 H10 152.4 . . . no C4 O3 C6 122.3(7) 1_545 1_545 1_545 ? C4 O3 C7 122.6(2) 1_545 1_545 1_545 ? C4 O3 C7 36.5(2) 1_545 1_545 1_545 ? C4 O3 C8 108.4(2) 1_545 1_545 1_545 ? C4 O3 C8 52.0(2) 1_545 1_545 1_545 ? C4 O3 C11 110.5(5) 1_545 1_545 1_545 ? C4 O3 H1 104.9 1_545 1_545 1_545 no C4 O3 H4 122.6 1_545 1_545 1_545 no C4 O3 H5 106.1 1_545 1_545 1_545 no C4 O3 H5 139.1 1_545 1_545 1_545 no C4 O3 H6 99.4 1_545 1_545 1_545 no C4 O3 H6 57.4 1_545 1_545 1_545 no C4 O3 H9 106.9 1_545 1_545 1_545 no C4 O3 H10 152.4 1_545 1_545 1_545 no C4 O3 H10 68.1 1_545 1_545 1_545 no C4 O3 H10 57.9 1_545 1_545 1_545 no C6 O3 C7 108.4(8) 4_554 4_554 4_554 ? C6 O3 C7 108.4(8) 4_554 4_554 4_554 ? C6 O3 C8 112.2(6) 4_554 4_554 4_554 ? C6 O3 C8 112.2(6) 4_554 4_554 4_554 ? C6 O3 C11 56.9(1) 4_554 4_554 4_554 ? C6 O3 H1 54.1 4_554 4_554 4_554 no C6 O3 H4 7.9 4_554 4_554 4_554 no C6 O3 H5 17.0 4_554 4_554 4_554 no C6 O3 H5 17.0 4_554 4_554 4_554 no C6 O3 H6 117.0 4_554 4_554 4_554 no C6 O3 H6 117.0 4_554 4_554 4_554 no C6 O3 H9 64.9 4_554 4_554 4_554 no C6 O3 H10 67.6 4_554 4_554 4_554 no C6 O3 H10 126.2 4_554 4_554 4_554 no C6 O3 H10 67.6 4_554 4_554 4_554 no C7 O3 C7 105.6(1) . . . ? C7 O3 C8 19.47(9) . . . ? C7 O3 C8 86.51(13) . . . ? C7 O3 C11 75.0(7) . . . ? C7 O3 H1 127.1 . . . no C7 O3 H4 104.0 . . . no C7 O3 H5 119.5 . . . no C7 O3 H5 92.3 . . . no C7 O3 H6 28.2 . . . no C7 O3 H6 77.4 . . . no C7 O3 H9 70.5 . . . no C7 O3 H10 69.3 . . . no C7 O3 H10 103.3 . . . no C7 O3 H10 171.1 . . . no C7 O3 C8 86.51(13) 1_545 1_545 1_545 ? C7 O3 C8 19.47(9) 1_545 1_545 1_545 ? C7 O3 C11 75.0(7) 1_545 1_545 1_545 ? C7 O3 H1 127.1 1_545 1_545 1_545 no C7 O3 H4 104.0 1_545 1_545 1_545 no C7 O3 H5 92.3 1_545 1_545 1_545 no C7 O3 H5 119.5 1_545 1_545 1_545 no C7 O3 H6 77.4 1_545 1_545 1_545 no C7 O3 H6 28.2 1_545 1_545 1_545 no C7 O3 H9 70.5 1_545 1_545 1_545 no C7 O3 H10 171.1 1_545 1_545 1_545 no C7 O3 H10 103.3 1_545 1_545 1_545 no C7 O3 H10 69.3 1_545 1_545 1_545 no C8 O3 C8 67.2(2) . . . ? C8 O3 C11 65.5(5) . . . ? C8 O3 H1 145.4 . . . no C8 O3 H4 105.8 . . . no C8 O3 H5 117.9 . . . no C8 O3 H5 98.8 . . . no C8 O3 H6 9.4 . . . no C8 O3 H6 58.3 . . . no C8 O3 H9 59.2 . . . no C8 O3 H10 87.8 . . . no C8 O3 H10 112.1 . . . no C8 O3 H10 153.3 . . . no C8 O3 C11 65.5(5) 7_545 7_545 7_545 ? C8 O3 H1 145.4 7_545 7_545 7_545 no C8 O3 H4 105.8 7_545 7_545 7_545 no C8 O3 H5 98.8 7_545 7_545 7_545 no C8 O3 H5 117.9 7_545 7_545 7_545 no C8 O3 H6 58.3 7_545 7_545 7_545 no C8 O3 H6 9.4 7_545 7_545 7_545 no C8 O3 H9 59.2 7_545 7_545 7_545 no C8 O3 H10 153.3 7_545 7_545 7_545 no C8 O3 H10 112.1 7_545 7_545 7_545 no C8 O3 H10 87.8 7_545 7_545 7_545 no C11 O3 H1 111.0 3_645 3_645 3_645 no C11 O3 H4 49.0 3_645 3_645 3_645 no C11 O3 H5 54.6 3_645 3_645 3_645 no C11 O3 H5 54.6 3_645 3_645 3_645 no C11 O3 H6 65.7 3_645 3_645 3_645 no C11 O3 H6 65.7 3_645 3_645 3_645 no C11 O3 H9 8.0 3_645 3_645 3_645 no C11 O3 H10 96.4 3_645 3_645 3_645 no C11 O3 H10 176.9 3_645 3_645 3_645 no C11 O3 H10 96.4 3_645 3_645 3_645 no H1 O3 H4 62.0 4_554 4_554 4_554 no H1 O3 H5 59.6 4_554 4_554 4_554 no H1 O3 H5 59.6 4_554 4_554 4_554 no H1 O3 H6 154.7 4_554 4_554 4_554 no H1 O3 H6 154.7 4_554 4_554 4_554 no H1 O3 H9 119.0 4_554 4_554 4_554 no H1 O3 H10 57.8 4_554 4_554 4_554 no H1 O3 H10 72.1 4_554 4_554 4_554 no H1 O3 H10 57.8 4_554 4_554 4_554 no H4 O3 H5 17.0 4_554 4_554 4_554 no H4 O3 H5 17.0 4_554 4_554 4_554 no H4 O3 H6 109.9 4_554 4_554 4_554 no H4 O3 H6 109.9 4_554 4_554 4_554 no H4 O3 H9 57.0 4_554 4_554 4_554 no H4 O3 H10 71.0 4_554 4_554 4_554 no H4 O3 H10 134.1 4_554 4_554 4_554 no H4 O3 H10 71.0 4_554 4_554 4_554 no H5 O3 H5 33.1 6_544 6_544 6_544 no H5 O3 H6 119.9 6_544 6_544 6_544 no H5 O3 H6 105.2 6_544 6_544 6_544 no H5 O3 H9 62.1 6_544 6_544 6_544 no H5 O3 H10 84.3 6_544 6_544 6_544 no H5 O3 H10 128.3 6_544 6_544 6_544 no H5 O3 H10 54.7 6_544 6_544 6_544 no H5 O3 H6 105.2 4_554 4_554 4_554 no H5 O3 H6 119.9 4_554 4_554 4_554 no H5 O3 H9 62.1 4_554 4_554 4_554 no H5 O3 H10 54.7 4_554 4_554 4_554 no H5 O3 H10 128.3 4_554 4_554 4_554 no H5 O3 H10 84.3 4_554 4_554 4_554 no H6 O3 H6 49.2 . . . no H6 O3 H9 58.6 . . . no H6 O3 H10 97.1 . . . no H6 O3 H10 111.5 . . . no H6 O3 H10 145.6 . . . no H6 O3 H9 58.6 7_545 7_545 7_545 no H6 O3 H10 145.6 7_545 7_545 7_545 no H6 O3 H10 111.5 7_545 7_545 7_545 no H6 O3 H10 97.1 7_545 7_545 7_545 no H9 O3 H10 100.6 3_645 3_645 3_645 no H9 O3 H10 168.9 3_645 3_645 3_645 no H9 O3 H10 100.6 3_645 3_645 3_645 no H10 O3 H10 85.2 . . . no H10 O3 H10 114.7 . . . no H10 O3 H10 85.2 4 4 4 no O1 O4 O2 136.3(2) 4 4 4 ? O1 O4 O3 164.6(2) 4 4 4 ? O1 O4 N2 106.2(3) 4 4 4 ? O1 O4 N2 42.15(11) 4 4 4 ? O1 O4 N2 106.2(3) 4 4 4 ? O1 O4 N3 165.8(3) 4 4 4 ? O1 O4 C1 20.30(9) 4 4 4 ? O1 O4 C2 89.5(4) 4 4 4 ? O1 O4 C2 58.57(10) 4 4 4 ? O1 O4 C2 89.5(4) 4 4 4 ? O1 O4 C3 94.7(4) 4 4 4 ? O1 O4 C3 94.7(4) 4 4 4 ? O1 O4 C3 88.01(13) 4 4 4 ? O1 O4 C4 114.3(4) 4 4 4 ? O1 O4 C4 114.3(4) 4 4 4 ? O1 O4 C6 67.1(4) 4 4 4 ? O1 O4 C6 80.73(13) 4 4 4 ? O1 O4 C6 67.1(4) 4 4 4 ? O1 O4 H1 80.6 4 4 4 no O1 O4 H1 80.6 4 4 4 no O1 O4 H1 90.7 4 4 4 no O1 O4 H2 45.4 4 4 4 no O1 O4 H4 69.8 4 4 4 no O1 O4 H4 90.2 4 4 4 no O1 O4 H4 69.8 4 4 4 no O1 O4 H5 53.5 4 4 4 no O1 O4 H5 53.5 4 4 4 no O1 O4 H10 101.2 4 4 4 no O1 O4 H10 46.9 4 4 4 no O1 O4 H10 101.2 4 4 4 no O2 O4 O3 59.1(2) . . . ? O2 O4 N2 91.9(3) . . . ? O2 O4 N2 94.2(2) . . . ? O2 O4 N2 91.9(3) . . . ? O2 O4 N3 29.4(3) . . . ? O2 O4 C1 116.0(2) . . . ? O2 O4 C2 94.2(4) . . . ? O2 O4 C2 77.8(2) . . . ? O2 O4 C2 94.2(4) . . . ? O2 O4 C3 74.5(3) . . . ? O2 O4 C3 74.5(3) . . . ? O2 O4 C3 135.7(2) . . . ? O2 O4 C4 56.4(3) . . . ? O2 O4 C4 56.4(3) . . . ? O2 O4 C6 116.6(4) . . . ? O2 O4 C6 55.6(2) . . . ? O2 O4 C6 116.6(4) . . . ? O2 O4 H1 78.2 . . . no O2 O4 H1 78.2 . . . no O2 O4 H1 133.0 . . . no O2 O4 H2 178.3 . . . no O2 O4 H4 124.8 . . . no O2 O4 H4 46.2 . . . no O2 O4 H4 124.8 . . . no O2 O4 H5 124.8 . . . no O2 O4 H5 124.8 . . . no O2 O4 H10 103.8 . . . no O2 O4 H10 89.5 . . . no O2 O4 H10 103.8 . . . no O3 O4 N2 69.0(5) . . . ? O3 O4 N2 153.3(2) . . . ? O3 O4 N2 69.0(5) . . . ? O3 O4 N3 29.6(3) . . . ? O3 O4 C1 175.1(2) . . . ? O3 O4 C2 89.0(6) . . . ? O3 O4 C2 136.8(2) . . . ? O3 O4 C2 89.0(6) . . . ? O3 O4 C3 90.0(6) . . . ? O3 O4 C3 90.0(6) . . . ? O3 O4 C3 76.6(2) . . . ? O3 O4 C4 72.7(6) . . . ? O3 O4 C4 72.7(6) . . . ? O3 O4 C6 108.1(6) . . . ? O3 O4 C6 114.7(2) . . . ? O3 O4 C6 108.1(6) . . . ? O3 O4 H1 106.4 . . . no O3 O4 H1 106.4 . . . no O3 O4 H1 73.9 . . . no O3 O4 H2 119.2 . . . no O3 O4 H4 102.1 . . . no O3 O4 H4 105.2 . . . no O3 O4 H4 102.1 . . . no O3 O4 H5 121.3 . . . no O3 O4 H5 121.3 . . . no O3 O4 H10 70.5 . . . no O3 O4 H10 148.5 . . . no O3 O4 H10 70.5 . . . no N2 O4 N2 115.7(7) . . . ? N2 O4 N2 127.9(2) . . . ? N2 O4 N3 79.2(2) . . . ? N2 O4 C1 112.3(5) . . . ? N2 O4 C2 22.3(2) . . . ? N2 O4 C2 115.8(8) . . . ? N2 O4 C2 149.7(2) . . . ? N2 O4 C3 39.3(2) . . . ? N2 O4 C3 158.9(2) . . . ? N2 O4 C3 70.8(7) . . . ? N2 O4 C4 42.55(10) . . . ? N2 O4 C4 139.4(2) . . . ? N2 O4 C6 39.4(2) . . . ? N2 O4 C6 112.3(8) . . . ? N2 O4 C6 145.6(2) . . . ? N2 O4 H1 54.9 . . . no N2 O4 H1 170.0 . . . no N2 O4 H1 70.0 . . . no N2 O4 H2 87.4 . . . no N2 O4 H4 37.5 . . . no N2 O4 H4 109.8 . . . no N2 O4 H4 132.1 . . . no N2 O4 H5 53.0 . . . no N2 O4 H5 142.7 . . . no N2 O4 H10 13.9 . . . no N2 O4 H10 116.0 . . . no N2 O4 H10 119.4 . . . no N2 O4 N2 115.7(7) 4 4 4 ? N2 O4 N3 123.6(3) 4 4 4 ? N2 O4 C1 21.85(11) 4 4 4 ? N2 O4 C2 93.4(9) 4 4 4 ? N2 O4 C2 16.42(10) 4 4 4 ? N2 O4 C2 93.4(9) 4 4 4 ? N2 O4 C3 81.9(8) 4 4 4 ? N2 O4 C3 81.9(8) 4 4 4 ? N2 O4 C3 130.2(2) 4 4 4 ? N2 O4 C4 93.2(8) 4 4 4 ? N2 O4 C4 93.2(8) 4 4 4 ? N2 O4 C6 82.8(8) 4 4 4 ? N2 O4 C6 38.58(12) 4 4 4 ? N2 O4 C6 82.8(8) 4 4 4 ? N2 O4 H1 64.2 4 4 4 no N2 O4 H1 64.2 4 4 4 no N2 O4 H1 132.8 4 4 4 no N2 O4 H2 87.5 4 4 4 no N2 O4 H4 93.2 4 4 4 no N2 O4 H4 48.0 4 4 4 no N2 O4 H4 93.2 4 4 4 no N2 O4 H5 72.2 4 4 4 no N2 O4 H5 72.2 4 4 4 no N2 O4 H10 120.8 4 4 4 no N2 O4 H10 4.7 4 4 4 no N2 O4 H10 120.8 4 4 4 no N2 O4 N3 79.2(2) 1_545 1_545 1_545 ? N2 O4 C1 112.3(5) 1_545 1_545 1_545 ? N2 O4 C2 149.7(2) 1_545 1_545 1_545 ? N2 O4 C2 115.8(8) 1_545 1_545 1_545 ? N2 O4 C2 22.3(2) 1_545 1_545 1_545 ? N2 O4 C3 158.9(2) 1_545 1_545 1_545 ? N2 O4 C3 39.3(2) 1_545 1_545 1_545 ? N2 O4 C3 70.8(7) 1_545 1_545 1_545 ? N2 O4 C4 139.4(2) 1_545 1_545 1_545 ? N2 O4 C4 42.55(10) 1_545 1_545 1_545 ? N2 O4 C6 145.6(2) 1_545 1_545 1_545 ? N2 O4 C6 112.3(8) 1_545 1_545 1_545 ? N2 O4 C6 39.4(2) 1_545 1_545 1_545 ? N2 O4 H1 170.0 1_545 1_545 1_545 no N2 O4 H1 54.9 1_545 1_545 1_545 no N2 O4 H1 70.0 1_545 1_545 1_545 no N2 O4 H2 87.4 1_545 1_545 1_545 no N2 O4 H4 132.1 1_545 1_545 1_545 no N2 O4 H4 109.8 1_545 1_545 1_545 no N2 O4 H4 37.5 1_545 1_545 1_545 no N2 O4 H5 142.7 1_545 1_545 1_545 no N2 O4 H5 53.0 1_545 1_545 1_545 no N2 O4 H10 119.4 1_545 1_545 1_545 no N2 O4 H10 116.0 1_545 1_545 1_545 no N2 O4 H10 13.9 1_545 1_545 1_545 no N3 O4 C1 145.5(3) . . . ? N3 O4 C2 91.8(2) . . . ? N3 O4 C2 107.2(3) . . . ? N3 O4 C2 91.8(2) . . . ? N3 O4 C3 81.2(2) . . . ? N3 O4 C3 81.2(2) . . . ? N3 O4 C3 106.2(3) . . . ? N3 O4 C4 60.7(2) . . . ? N3 O4 C4 60.7(2) . . . ? N3 O4 C6 115.8(2) . . . ? N3 O4 C6 85.0(3) . . . ? N3 O4 C6 115.8(2) . . . ? N3 O4 H1 92.5 . . . no N3 O4 H1 92.5 . . . no N3 O4 H1 103.6 . . . no N3 O4 H2 148.8 . . . no N3 O4 H4 116.7 . . . no N3 O4 H4 75.6 . . . no N3 O4 H4 116.7 . . . no N3 O4 H5 128.8 . . . no N3 O4 H5 128.8 . . . no N3 O4 H10 86.9 . . . no N3 O4 H10 118.9 . . . no N3 O4 H10 86.9 . . . no C1 O4 C2 91.5(7) 4 4 4 ? C1 O4 C2 38.27(11) 4 4 4 ? C1 O4 C2 91.5(7) 4 4 4 ? C1 O4 C3 88.4(6) 4 4 4 ? C1 O4 C3 88.4(6) 4 4 4 ? C1 O4 C3 108.3(2) 4 4 4 ? C1 O4 C4 104.9(6) 4 4 4 ? C1 O4 C4 104.9(6) 4 4 4 ? C1 O4 C6 73.7(7) 4 4 4 ? C1 O4 C6 60.43(13) 4 4 4 ? C1 O4 C6 73.7(7) 4 4 4 ? C1 O4 H1 71.6 4 4 4 no C1 O4 H1 71.6 4 4 4 no C1 O4 H1 111.0 4 4 4 no C1 O4 H2 65.7 4 4 4 no C1 O4 H4 80.6 4 4 4 no C1 O4 H4 69.9 4 4 4 no C1 O4 H4 80.6 4 4 4 no C1 O4 H5 60.8 4 4 4 no C1 O4 H5 60.8 4 4 4 no C1 O4 H10 111.9 4 4 4 no C1 O4 H10 26.6 4 4 4 no C1 O4 H10 111.9 4 4 4 no C2 O4 C2 94.5(10) . . . ? C2 O4 C2 168.7(2) . . . ? C2 O4 C3 23.76(13) . . . ? C2 O4 C3 167.3(2) . . . ? C2 O4 C3 84.4(9) . . . ? C2 O4 C4 37.9(2) . . . ? C2 O4 C4 150.3(2) . . . ? C2 O4 C6 24.24(12) . . . ? C2 O4 C6 95.5(10) . . . ? C2 O4 C6 149.1(2) . . . ? C2 O4 H1 35.0 . . . no C2 O4 H1 155.3 . . . no C2 O4 H1 84.4 . . . no C2 O4 H2 85.7 . . . no C2 O4 H4 30.7 . . . no C2 O4 H4 95.6 . . . no C2 O4 H4 139.7 . . . no C2 O4 H5 37.0 . . . no C2 O4 H5 138.5 . . . no C2 O4 H10 30.6 . . . no C2 O4 H10 93.8 . . . no C2 O4 H10 139.2 . . . no C2 O4 C2 94.5(10) 4 4 4 ? C2 O4 C3 77.6(9) 4 4 4 ? C2 O4 C3 77.6(9) 4 4 4 ? C2 O4 C3 146.6(1) 4 4 4 ? C2 O4 C4 84.1(8) 4 4 4 ? C2 O4 C4 84.1(8) 4 4 4 ? C2 O4 C6 90.2(9) 4 4 4 ? C2 O4 C6 22.16(11) 4 4 4 ? C2 O4 C6 90.2(9) 4 4 4 ? C2 O4 H1 61.0 4 4 4 no C2 O4 H1 61.0 4 4 4 no C2 O4 H1 149.2 4 4 4 no C2 O4 H2 103.9 4 4 4 no C2 O4 H4 102.5 4 4 4 no C2 O4 H4 31.6 4 4 4 no C2 O4 H4 102.5 4 4 4 no C2 O4 H5 82.1 4 4 4 no C2 O4 H5 82.1 4 4 4 no C2 O4 H10 124.7 4 4 4 no C2 O4 H10 11.7 4 4 4 no C2 O4 H10 124.7 4 4 4 no C2 O4 C3 167.3(2) 1_545 1_545 1_545 ? C2 O4 C3 23.76(13) 1_545 1_545 1_545 ? C2 O4 C3 84.4(9) 1_545 1_545 1_545 ? C2 O4 C4 150.3(2) 1_545 1_545 1_545 ? C2 O4 C4 37.9(2) 1_545 1_545 1_545 ? C2 O4 C6 149.1(2) 1_545 1_545 1_545 ? C2 O4 C6 95.5(10) 1_545 1_545 1_545 ? C2 O4 C6 24.24(12) 1_545 1_545 1_545 ? C2 O4 H1 155.3 1_545 1_545 1_545 no C2 O4 H1 35.0 1_545 1_545 1_545 no C2 O4 H1 84.4 1_545 1_545 1_545 no C2 O4 H2 85.7 1_545 1_545 1_545 no C2 O4 H4 139.7 1_545 1_545 1_545 no C2 O4 H4 95.6 1_545 1_545 1_545 no C2 O4 H4 30.7 1_545 1_545 1_545 no C2 O4 H5 138.5 1_545 1_545 1_545 no C2 O4 H5 37.0 1_545 1_545 1_545 no C2 O4 H10 139.2 1_545 1_545 1_545 no C2 O4 H10 93.8 1_545 1_545 1_545 no C2 O4 H10 30.6 1_545 1_545 1_545 no C3 O4 C3 143.6(2) . . . ? C3 O4 C3 107.7(8) . . . ? C3 O4 C4 20.49(11) . . . ? C3 O4 C4 130.2(2) . . . ? C3 O4 C6 42.24(12) . . . ? C3 O4 C6 73.5(9) . . . ? C3 O4 C6 161.7(2) . . . ? C3 O4 H1 17.7 . . . no C3 O4 H1 134.2 . . . no C3 O4 H1 107.5 . . . no C3 O4 H2 105.8 . . . no C3 O4 H4 52.7 . . . no C3 O4 H4 72.5 . . . no C3 O4 H4 160.5 . . . no C3 O4 H5 51.1 . . . no C3 O4 H5 148.1 . . . no C3 O4 H10 51.5 . . . no C3 O4 H10 80.6 . . . no C3 O4 H10 157.2 . . . no C3 O4 C3 107.7(8) 1_545 1_545 1_545 ? C3 O4 C4 130.2(2) 1_545 1_545 1_545 ? C3 O4 C4 20.49(11) 1_545 1_545 1_545 ? C3 O4 C6 161.7(2) 1_545 1_545 1_545 ? C3 O4 C6 73.5(9) 1_545 1_545 1_545 ? C3 O4 C6 42.24(12) 1_545 1_545 1_545 ? C3 O4 H1 134.2 1_545 1_545 1_545 no C3 O4 H1 17.7 1_545 1_545 1_545 no C3 O4 H1 107.5 1_545 1_545 1_545 no C3 O4 H2 105.8 1_545 1_545 1_545 no C3 O4 H4 160.5 1_545 1_545 1_545 no C3 O4 H4 72.5 1_545 1_545 1_545 no C3 O4 H4 52.7 1_545 1_545 1_545 no C3 O4 H5 148.1 1_545 1_545 1_545 no C3 O4 H5 51.1 1_545 1_545 1_545 no C3 O4 H10 157.2 1_545 1_545 1_545 no C3 O4 H10 80.6 1_545 1_545 1_545 no C3 O4 H10 51.5 1_545 1_545 1_545 no C3 O4 C4 112.7(8) 4_554 4_554 4_554 ? C3 O4 C4 112.7(8) 4_554 4_554 4_554 ? C3 O4 C6 75.3(8) 4_554 4_554 4_554 ? C3 O4 C6 168.7(2) 4_554 4_554 4_554 ? C3 O4 C6 75.3(8) 4_554 4_554 4_554 ? C3 O4 H1 117.5 4_554 4_554 4_554 no C3 O4 H1 117.5 4_554 4_554 4_554 no C3 O4 H1 2.6 4_554 4_554 4_554 no C3 O4 H2 42.6 4_554 4_554 4_554 no C3 O4 H4 61.5 4_554 4_554 4_554 no C3 O4 H4 178.2 4_554 4_554 4_554 no C3 O4 H4 61.5 4_554 4_554 4_554 no C3 O4 H5 77.1 4_554 4_554 4_554 no C3 O4 H5 77.1 4_554 4_554 4_554 no C3 O4 H10 57.2 4_554 4_554 4_554 no C3 O4 H10 134.9 4_554 4_554 4_554 no C3 O4 H10 57.2 4_554 4_554 4_554 no C4 O4 C4 112.8(2) . . . ? C4 O4 C6 60.55(12) . . . ? C4 O4 C6 72.5(8) . . . ? C4 O4 C6 171.8(2) . . . ? C4 O4 H1 34.0 . . . no C4 O4 H1 128.1 . . . no C4 O4 H1 111.5 . . . no C4 O4 H2 123.6 . . . no C4 O4 H4 68.6 . . . no C4 O4 H4 68.1 . . . no C4 O4 H4 173.4 . . . no C4 O4 H5 70.9 . . . no C4 O4 H5 165.3 . . . no C4 O4 H10 56.4 . . . no C4 O4 H10 90.6 . . . no C4 O4 H10 143.2 . . . no C4 O4 C6 171.8(2) 1_545 1_545 1_545 ? C4 O4 C6 72.5(8) 1_545 1_545 1_545 ? C4 O4 C6 60.55(12) 1_545 1_545 1_545 ? C4 O4 H1 128.1 1_545 1_545 1_545 no C4 O4 H1 34.0 1_545 1_545 1_545 no C4 O4 H1 111.5 1_545 1_545 1_545 no C4 O4 H2 123.6 1_545 1_545 1_545 no C4 O4 H4 173.4 1_545 1_545 1_545 no C4 O4 H4 68.1 1_545 1_545 1_545 no C4 O4 H4 68.6 1_545 1_545 1_545 no C4 O4 H5 165.3 1_545 1_545 1_545 no C4 O4 H5 70.9 1_545 1_545 1_545 no C4 O4 H10 143.2 1_545 1_545 1_545 no C4 O4 H10 90.6 1_545 1_545 1_545 no C4 O4 H10 56.4 1_545 1_545 1_545 no C6 O4 C6 100.1(9) . . . ? C6 O4 C6 125.6(2) . . . ? C6 O4 H1 43.7 . . . no C6 O4 H1 145.2 . . . no C6 O4 H1 76.3 . . . no C6 O4 H2 63.6 . . . no C6 O4 H4 13.8 . . . no C6 O4 H4 104.0 . . . no C6 O4 H4 118.6 . . . no C6 O4 H5 13.7 . . . no C6 O4 H5 114.3 . . . no C6 O4 H10 38.7 . . . no C6 O4 H10 84.9 . . . no C6 O4 H10 131.8 . . . no C6 O4 C6 100.1(9) 4 4 4 ? C6 O4 H1 60.8 4 4 4 no C6 O4 H1 60.8 4 4 4 no C6 O4 H1 171.4 4 4 4 no C6 O4 H2 126.1 4 4 4 no C6 O4 H4 113.8 4 4 4 no C6 O4 H4 9.4 4 4 4 no C6 O4 H4 113.8 4 4 4 no C6 O4 H5 96.0 4 4 4 no C6 O4 H5 96.0 4 4 4 no C6 O4 H10 125.0 4 4 4 no C6 O4 H10 33.9 4 4 4 no C6 O4 H10 125.0 4 4 4 no C6 O4 H1 145.2 1_545 1_545 1_545 no C6 O4 H1 43.7 1_545 1_545 1_545 no C6 O4 H1 76.3 1_545 1_545 1_545 no C6 O4 H2 63.6 1_545 1_545 1_545 no C6 O4 H4 118.6 1_545 1_545 1_545 no C6 O4 H4 104.0 1_545 1_545 1_545 no C6 O4 H4 13.8 1_545 1_545 1_545 no C6 O4 H5 114.3 1_545 1_545 1_545 no C6 O4 H5 13.7 1_545 1_545 1_545 no C6 O4 H10 131.8 1_545 1_545 1_545 no C6 O4 H10 84.9 1_545 1_545 1_545 no C6 O4 H10 38.7 1_545 1_545 1_545 no H1 O4 H1 120.5 . . . no H1 O4 H1 118.0 . . . no H1 O4 H2 102.6 . . . no H1 O4 H4 56.9 . . . no H1 O4 H4 62.1 . . . no H1 O4 H4 150.3 . . . no H1 O4 H5 47.3 . . . no H1 O4 H5 132.3 . . . no H1 O4 H10 65.4 . . . no H1 O4 H10 63.0 . . . no H1 O4 H10 174.1 . . . no H1 O4 H1 118.0 1_545 1_545 1_545 no H1 O4 H2 102.6 1_545 1_545 1_545 no H1 O4 H4 150.3 1_545 1_545 1_545 no H1 O4 H4 62.1 1_545 1_545 1_545 no H1 O4 H4 56.9 1_545 1_545 1_545 no H1 O4 H5 132.3 1_545 1_545 1_545 no H1 O4 H5 47.3 1_545 1_545 1_545 no H1 O4 H10 174.1 1_545 1_545 1_545 no H1 O4 H10 63.0 1_545 1_545 1_545 no H1 O4 H10 65.4 1_545 1_545 1_545 no H1 O4 H2 45.3 4_554 4_554 4_554 no H1 O4 H4 62.6 4_554 4_554 4_554 no H1 O4 H4 179.2 4_554 4_554 4_554 no H1 O4 H4 62.6 4_554 4_554 4_554 no H1 O4 H5 78.7 4_554 4_554 4_554 no H1 O4 H5 78.7 4_554 4_554 4_554 no H1 O4 H10 56.6 4_554 4_554 4_554 no H1 O4 H10 137.5 4_554 4_554 4_554 no H1 O4 H10 56.6 4_554 4_554 4_554 no H2 O4 H4 55.0 4_554 4_554 4_554 no H2 O4 H4 135.5 4_554 4_554 4_554 no H2 O4 H4 55.0 4_554 4_554 4_554 no H2 O4 H5 55.8 4_554 4_554 4_554 no H2 O4 H5 55.8 4_554 4_554 4_554 no H2 O4 H10 75.3 4_554 4_554 4_554 no H2 O4 H10 92.2 4_554 4_554 4_554 no H2 O4 H10 75.3 4_554 4_554 4_554 no H4 O4 H4 117.8 . . . no H4 O4 H4 109.2 . . . no H4 O4 H5 21.0 . . . no H4 O4 H5 109.5 . . . no H4 O4 H10 31.7 . . . no H4 O4 H10 95.9 . . . no H4 O4 H10 118.3 . . . no H4 O4 H4 117.8 4 4 4 no H4 O4 H5 101.8 4 4 4 no H4 O4 H5 101.8 4 4 4 no H4 O4 H10 123.3 4 4 4 no H4 O4 H10 43.3 4 4 4 no H4 O4 H10 123.3 4 4 4 no H4 O4 H5 109.5 1_545 1_545 1_545 no H4 O4 H5 21.0 1_545 1_545 1_545 no H4 O4 H10 118.3 1_545 1_545 1_545 no H4 O4 H10 95.9 1_545 1_545 1_545 no H4 O4 H10 31.7 1_545 1_545 1_545 no H5 O4 H5 102.1 . . . no H5 O4 H10 51.1 . . . no H5 O4 H10 75.0 . . . no H5 O4 H10 129.5 . . . no H5 O4 H10 129.5 7_545 7_545 7_545 no H5 O4 H10 75.0 7_545 7_545 7_545 no H5 O4 H10 51.1 7_545 7_545 7_545 no H10 O4 H10 122.2 . . . no H10 O4 H10 108.8 . . . no H10 O4 H10 122.2 4 4 4 no O1 N1 O2 110.9(9) . . . ? O1 N1 O2 110.9(9) . . . ? O1 N1 O3 75.2(9) . . . ? O1 N1 O3 75.2(9) . . . ? O1 N1 N2 59.7(2) . . . ? O1 N1 N3 93.4(9) . . . ? O1 N1 N3 93.4(9) . . . ? O1 N1 C1 26.9(2) . . . ? O1 N1 C2 89.3(2) . . . ? O1 N1 C3 119.2(2) . . . ? O1 N1 C4 149.1(4) . . . ? O1 N1 C5 179.6(3) . . . ? O1 N1 C7 89.7(3) . . . ? O1 N1 C8 89.8(5) . . . ? O1 N1 C8 89.8(5) . . . ? O1 N1 C9 89.8(4) . . . ? O1 N1 C9 89.8(4) . . . ? O1 N1 H1 127.6 . . . no O1 N1 H2 169.3 . . . no O1 N1 H3 159.0 . . . no O1 N1 H3 159.0 . . . no O1 N1 H6 90.0 . . . no O1 N1 H6 90.0 . . . no O1 N1 H10 51.1 . . . no O2 N1 O2 131.9(2) . . . ? O2 N1 O3 35.70(12) . . . ? O2 N1 O3 154.1(2) . . . ? O2 N1 N2 90.5(4) . . . ? O2 N1 N3 20.36(12) . . . ? O2 N1 N3 137.9(2) . . . ? O2 N1 C1 103.2(7) . . . ? O2 N1 C2 78.88(10) . . . ? O2 N1 C3 69.8(4) . . . ? O2 N1 C4 66.0(8) . . . ? O2 N1 C5 69.2(9) . . . ? O2 N1 C7 101.46(13) . . . ? O2 N1 C8 74.70(13) . . . ? O2 N1 C8 127.7(2) . . . ? O2 N1 C9 84.44(11) . . . ? O2 N1 C9 118.3(1) . . . ? O2 N1 H1 68.1 . . . no O2 N1 H2 67.2 . . . no O2 N1 H3 56.1 . . . no O2 N1 H3 88.6 . . . no O2 N1 H6 54.9 . . . no O2 N1 H6 145.8 . . . no O2 N1 H10 94.0 . . . no O2 N1 O3 154.1(2) 1_565 1_565 1_565 ? O2 N1 O3 35.70(12) 1_565 1_565 1_565 ? O2 N1 N2 90.5(4) 1_565 1_565 1_565 ? O2 N1 N3 137.9(2) 1_565 1_565 1_565 ? O2 N1 N3 20.36(12) 1_565 1_565 1_565 ? O2 N1 C1 103.2(7) 1_565 1_565 1_565 ? O2 N1 C2 78.88(10) 1_565 1_565 1_565 ? O2 N1 C3 69.8(4) 1_565 1_565 1_565 ? O2 N1 C4 66.0(8) 1_565 1_565 1_565 ? O2 N1 C5 69.2(9) 1_565 1_565 1_565 ? O2 N1 C7 101.46(13) 1_565 1_565 1_565 ? O2 N1 C8 127.7(2) 1_565 1_565 1_565 ? O2 N1 C8 74.70(13) 1_565 1_565 1_565 ? O2 N1 C9 118.3(1) 1_565 1_565 1_565 ? O2 N1 C9 84.44(11) 1_565 1_565 1_565 ? O2 N1 H1 68.1 1_565 1_565 1_565 no O2 N1 H2 67.2 1_565 1_565 1_565 no O2 N1 H3 88.6 1_565 1_565 1_565 no O2 N1 H3 56.1 1_565 1_565 1_565 no O2 N1 H6 145.8 1_565 1_565 1_565 no O2 N1 H6 54.9 1_565 1_565 1_565 no O2 N1 H10 94.0 1_565 1_565 1_565 no O3 N1 O3 139.1(2) . . . ? O3 N1 N2 70.4(4) . . . ? O3 N1 N3 20.11(9) . . . ? O3 N1 N3 141.6(2) . . . ? O3 N1 C1 70.4(8) . . . ? O3 N1 C2 76.0(2) . . . ? O3 N1 C3 85.2(6) . . . ? O3 N1 C4 95.5(8) . . . ? O3 N1 C5 104.9(9) . . . ? O3 N1 C7 103.8(2) . . . ? O3 N1 C8 76.1(2) . . . ? O3 N1 C8 131.2(2) . . . ? O3 N1 C9 86.2(2) . . . ? O3 N1 C9 121.3(2) . . . ? O3 N1 H1 88.1 . . . no O3 N1 H2 101.9 . . . no O3 N1 H3 90.8 . . . no O3 N1 H3 124.2 . . . no O3 N1 H6 55.5 . . . no O3 N1 H6 150.8 . . . no O3 N1 H10 69.8 . . . no O3 N1 N2 70.4(4) 1_565 1_565 1_565 ? O3 N1 N3 141.6(2) 1_565 1_565 1_565 ? O3 N1 N3 20.11(9) 1_565 1_565 1_565 ? O3 N1 C1 70.4(8) 1_565 1_565 1_565 ? O3 N1 C2 76.0(2) 1_565 1_565 1_565 ? O3 N1 C3 85.2(6) 1_565 1_565 1_565 ? O3 N1 C4 95.5(8) 1_565 1_565 1_565 ? O3 N1 C5 104.9(9) 1_565 1_565 1_565 ? O3 N1 C7 103.8(2) 1_565 1_565 1_565 ? O3 N1 C8 131.2(2) 1_565 1_565 1_565 ? O3 N1 C8 76.1(2) 1_565 1_565 1_565 ? O3 N1 C9 121.3(2) 1_565 1_565 1_565 ? O3 N1 C9 86.2(2) 1_565 1_565 1_565 ? O3 N1 H1 88.1 1_565 1_565 1_565 no O3 N1 H2 101.9 1_565 1_565 1_565 no O3 N1 H3 124.2 1_565 1_565 1_565 no O3 N1 H3 90.8 1_565 1_565 1_565 no O3 N1 H6 150.8 1_565 1_565 1_565 no O3 N1 H6 55.5 1_565 1_565 1_565 no O3 N1 H10 69.8 1_565 1_565 1_565 no N2 N1 N3 72.2(5) . . . ? N2 N1 N3 72.2(5) . . . ? N2 N1 C1 32.8(2) . . . ? N2 N1 C2 29.6(2) . . . ? N2 N1 C3 59.5(2) . . . ? N2 N1 C4 89.4(3) . . . ? N2 N1 C5 120.7(2) . . . ? N2 N1 C7 149.5(3) . . . ? N2 N1 C8 139.1(4) . . . ? N2 N1 C8 139.1(4) . . . ? N2 N1 C9 145.0(3) . . . ? N2 N1 C9 145.0(3) . . . ? N2 N1 H1 67.9 . . . no N2 N1 H2 109.6 . . . no N2 N1 H3 130.6 . . . no N2 N1 H3 130.6 . . . no N2 N1 H6 123.6 . . . no N2 N1 H6 123.6 . . . no N2 N1 H10 8.6 . . . no N3 N1 N3 133.6(2) . . . ? N3 N1 C1 82.9(8) . . . ? N3 N1 C2 67.13(10) . . . ? N3 N1 C3 68.3(5) . . . ? N3 N1 C4 75.5(8) . . . ? N3 N1 C5 86.7(9) . . . ? N3 N1 C7 112.93(11) . . . ? N3 N1 C8 84.33(13) . . . ? N3 N1 C8 141.5(2) . . . ? N3 N1 C9 94.77(12) . . . ? N3 N1 C9 131.1(1) . . . ? N3 N1 H1 69.8 . . . no N3 N1 H2 82.5 . . . no N3 N1 H3 75.9 . . . no N3 N1 H3 107.1 . . . no N3 N1 H6 62.8 . . . no N3 N1 H6 162.8 . . . no N3 N1 H10 74.6 . . . no N3 N1 C1 82.9(8) 1_565 1_565 1_565 ? N3 N1 C2 67.13(10) 1_565 1_565 1_565 ? N3 N1 C3 68.3(5) 1_565 1_565 1_565 ? N3 N1 C4 75.5(8) 1_565 1_565 1_565 ? N3 N1 C5 86.7(9) 1_565 1_565 1_565 ? N3 N1 C7 112.93(11) 1_565 1_565 1_565 ? N3 N1 C8 141.5(2) 1_565 1_565 1_565 ? N3 N1 C8 84.33(13) 1_565 1_565 1_565 ? N3 N1 C9 131.1(1) 1_565 1_565 1_565 ? N3 N1 C9 94.77(12) 1_565 1_565 1_565 ? N3 N1 H1 69.8 1_565 1_565 1_565 no N3 N1 H2 82.5 1_565 1_565 1_565 no N3 N1 H3 107.1 1_565 1_565 1_565 no N3 N1 H3 75.9 1_565 1_565 1_565 no N3 N1 H6 162.8 1_565 1_565 1_565 no N3 N1 H6 62.8 1_565 1_565 1_565 no N3 N1 H10 74.6 1_565 1_565 1_565 no C1 N1 C2 62.4(3) . . . ? C1 N1 C3 92.3(3) . . . ? C1 N1 C4 122.2(4) . . . ? C1 N1 C5 153.5(4) . . . ? C1 N1 C7 116.7(4) . . . ? C1 N1 C8 113.2(5) . . . ? C1 N1 C8 113.2(5) . . . ? C1 N1 C9 115.3(4) . . . ? C1 N1 C9 115.3(4) . . . ? C1 N1 H1 100.7 . . . no C1 N1 H2 142.4 . . . no C1 N1 H3 157.9 . . . no C1 N1 H3 157.9 . . . no C1 N1 H6 106.9 . . . no C1 N1 H6 106.9 . . . no C1 N1 H10 24.2 . . . no C2 N1 C3 29.8(2) . . . ? C2 N1 C4 59.8(3) . . . ? C2 N1 C5 91.1(2) . . . ? C2 N1 C7 179.1(3) . . . ? C2 N1 C8 151.34(11) . . . ? C2 N1 C8 151.34(11) . . . ? C2 N1 C9 161.79(8) . . . ? C2 N1 C9 161.79(8) . . . ? C2 N1 H1 38.3 . . . no C2 N1 H2 80.0 . . . no C2 N1 H3 102.7 . . . no C2 N1 H3 102.7 . . . no C2 N1 H6 129.8 . . . no C2 N1 H6 129.8 . . . no C2 N1 H10 38.2 . . . no C3 N1 C4 30.0(3) . . . ? C3 N1 C5 61.3(2) . . . ? C3 N1 C7 151.1(3) . . . ? C3 N1 C8 140.1(4) . . . ? C3 N1 C8 140.1(4) . . . ? C3 N1 C9 146.2(3) . . . ? C3 N1 C9 146.2(3) . . . ? C3 N1 H1 8.4 . . . no C3 N1 H2 50.1 . . . no C3 N1 H3 74.2 . . . no C3 N1 H3 74.2 . . . no C3 N1 H6 124.0 . . . no C3 N1 H6 124.0 . . . no C3 N1 H10 68.1 . . . no C4 N1 C5 31.3(3) . . . ? C4 N1 C7 121.1(4) . . . ? C4 N1 C8 116.9(6) . . . ? C4 N1 C8 116.9(6) . . . ? C4 N1 C9 119.3(4) . . . ? C4 N1 C9 119.3(4) . . . ? C4 N1 H1 21.5 . . . no C4 N1 H2 20.2 . . . no C4 N1 H3 46.0 . . . no C4 N1 H3 46.0 . . . no C4 N1 H6 109.2 . . . no C4 N1 H6 109.2 . . . no C4 N1 H10 98.1 . . . no C5 N1 C7 89.8(3) . . . ? C5 N1 C8 89.8(5) . . . ? C5 N1 C8 89.8(5) . . . ? C5 N1 C9 89.8(4) . . . ? C5 N1 C9 89.8(4) . . . ? C5 N1 H1 52.8 . . . no C5 N1 H2 11.1 . . . no C5 N1 H3 20.8 . . . no C5 N1 H3 20.8 . . . no C5 N1 H6 89.7 . . . no C5 N1 H6 89.7 . . . no C5 N1 H10 129.4 . . . no C7 N1 C8 28.65(12) . . . ? C7 N1 C8 28.65(12) . . . ? C7 N1 C9 18.19(8) . . . ? C7 N1 C9 18.19(8) . . . ? C7 N1 H1 142.6 . . . no C7 N1 H2 100.9 . . . no C7 N1 H3 78.2 . . . no C7 N1 H3 78.2 . . . no C7 N1 H6 50.2 . . . no C7 N1 H6 50.2 . . . no C7 N1 H10 140.8 . . . no C8 N1 C8 57.3(2) . . . ? C8 N1 C9 10.46(13) . . . ? C8 N1 C9 46.8(2) . . . ? C8 N1 H1 134.2 . . . no C8 N1 H2 99.5 . . . no C8 N1 H3 71.3 . . . no C8 N1 H3 87.7 . . . no C8 N1 H6 21.5 . . . no C8 N1 H6 78.8 . . . no C8 N1 H10 132.9 . . . no C8 N1 C9 46.8(2) 7 7 7 ? C8 N1 C9 10.46(13) 7 7 7 ? C8 N1 H1 134.2 7 7 7 no C8 N1 H2 99.5 7 7 7 no C8 N1 H3 87.7 7 7 7 no C8 N1 H3 71.3 7 7 7 no C8 N1 H6 78.8 7 7 7 no C8 N1 H6 21.5 7 7 7 no C8 N1 H10 132.9 7 7 7 no C9 N1 C9 36.4(2) . . . ? C9 N1 H1 139.0 . . . no C9 N1 H2 100.3 . . . no C9 N1 H3 73.3 . . . no C9 N1 H3 84.0 . . . no C9 N1 H6 32.0 . . . no C9 N1 H6 68.4 . . . no C9 N1 H10 137.5 . . . no C9 N1 H1 139.0 7 7 7 no C9 N1 H2 100.3 7 7 7 no C9 N1 H3 84.0 7 7 7 no C9 N1 H3 73.3 7 7 7 no C9 N1 H6 68.4 7 7 7 no C9 N1 H6 32.0 7 7 7 no C9 N1 H10 137.5 7 7 7 no H1 N1 H2 41.7 . . . no H1 N1 H3 66.1 . . . no H1 N1 H3 66.1 . . . no H1 N1 H6 120.5 . . . no H1 N1 H6 120.5 . . . no H1 N1 H10 76.5 . . . no H2 N1 H3 28.5 . . . no H2 N1 H3 28.5 . . . no H2 N1 H6 96.8 . . . no H2 N1 H6 96.8 . . . no H2 N1 H10 118.2 . . . no H3 N1 H3 34.0 . . . no H3 N1 H6 69.0 . . . no H3 N1 H6 95.2 . . . no H3 N1 H10 138.5 . . . no H3 N1 H6 95.2 7 7 7 no H3 N1 H6 69.0 7 7 7 no H3 N1 H10 138.5 7 7 7 no H6 N1 H6 100.4 . . . no H6 N1 H10 119.9 . . . no H6 N1 H10 119.9 7 7 7 no O1 N2 O2 117.5(2) . . . ? O1 N2 O3 74.8(6) . . . ? O1 N2 O3 74.8(6) . . . ? O1 N2 O4 110.2(4) . . . ? O1 N2 O4 81.8(2) . . . ? O1 N2 O4 110.2(4) . . . ? O1 N2 N1 59.4(2) . . . ? O1 N2 N3 91.5(5) . . . ? O1 N2 N3 98.4(2) . . . ? O1 N2 N3 91.5(5) . . . ? O1 N2 C1 26.4(3) . . . ? O1 N2 C2 151.2(4) . . . ? O1 N2 C3 120.3(2) . . . ? O1 N2 C4 89.9(2) . . . ? O1 N2 C6 175.7(3) . . . ? O1 N2 C7 47.77(13) . . . ? O1 N2 H1 131.0 . . . no O1 N2 H1 101.2 . . . no O1 N2 H1 101.2 . . . no O1 N2 H4 152.8 . . . no O1 N2 H5 164.3 . . . no O1 N2 H5 164.3 . . . no O1 N2 H5 56.2 . . . no O1 N2 H5 56.2 . . . no O1 N2 H10 91.0 . . . no O2 N2 O3 110.0(5) 4_554 4_554 4_554 ? O2 N2 O3 110.0(5) 4_554 4_554 4_554 ? O2 N2 O4 94.6(4) 4_554 4_554 4_554 ? O2 N2 O4 35.68(10) 4_554 4_554 4_554 ? O2 N2 O4 94.6(4) 4_554 4_554 4_554 ? O2 N2 N1 176.9(2) 4_554 4_554 4_554 ? O2 N2 N3 111.8(3) 4_554 4_554 4_554 ? O2 N2 N3 19.14(8) 4_554 4_554 4_554 ? O2 N2 N3 111.8(3) 4_554 4_554 4_554 ? O2 N2 C1 143.9(3) 4_554 4_554 4_554 ? O2 N2 C2 91.3(3) 4_554 4_554 4_554 ? O2 N2 C3 122.2(2) 4_554 4_554 4_554 ? O2 N2 C4 152.6(2) 4_554 4_554 4_554 ? O2 N2 C6 58.1(2) 4_554 4_554 4_554 ? O2 N2 C7 165.3(2) 4_554 4_554 4_554 ? O2 N2 H1 111.5 4_554 4_554 4_554 no O2 N2 H1 64.5 4_554 4_554 4_554 no O2 N2 H1 64.5 4_554 4_554 4_554 no O2 N2 H4 35.3 4_554 4_554 4_554 no O2 N2 H5 62.9 4_554 4_554 4_554 no O2 N2 H5 62.9 4_554 4_554 4_554 no O2 N2 H5 80.6 4_554 4_554 4_554 no O2 N2 H5 80.6 4_554 4_554 4_554 no O2 N2 H10 26.5 4_554 4_554 4_554 no O3 N2 O3 137.6(2) . . . ? O3 N2 O4 35.5(2) . . . ? O3 N2 O4 102.1(9) . . . ? O3 N2 O4 149.4(2) . . . ? O3 N2 N1 69.6(4) . . . ? O3 N2 N3 19.79(13) . . . ? O3 N2 N3 106.6(7) . . . ? O3 N2 N3 137.7(2) . . . ? O3 N2 C1 69.8(2) . . . ? O3 N2 C2 96.3(9) . . . ? O3 N2 C3 85.2(9) . . . ? O3 N2 C4 75.5(8) . . . ? O3 N2 C6 106.3(5) . . . ? O3 N2 C7 68.8(2) . . . ? O3 N2 H1 89.1 . . . no O3 N2 H1 46.0 . . . no O3 N2 H1 171.1 . . . no O3 N2 H4 110.3 . . . no O3 N2 H5 90.2 . . . no O3 N2 H5 120.5 . . . no O3 N2 H5 48.4 . . . no O3 N2 H5 127.5 . . . no O3 N2 H10 104.7 . . . no O3 N2 O4 149.4(2) 1_565 1_565 1_565 ? O3 N2 O4 102.1(9) 1_565 1_565 1_565 ? O3 N2 O4 35.5(2) 1_565 1_565 1_565 ? O3 N2 N1 69.6(4) 1_565 1_565 1_565 ? O3 N2 N3 137.7(2) 1_565 1_565 1_565 ? O3 N2 N3 106.6(7) 1_565 1_565 1_565 ? O3 N2 N3 19.79(13) 1_565 1_565 1_565 ? O3 N2 C1 69.8(2) 1_565 1_565 1_565 ? O3 N2 C2 96.3(9) 1_565 1_565 1_565 ? O3 N2 C3 85.2(9) 1_565 1_565 1_565 ? O3 N2 C4 75.5(8) 1_565 1_565 1_565 ? O3 N2 C6 106.3(5) 1_565 1_565 1_565 ? O3 N2 C7 68.8(2) 1_565 1_565 1_565 ? O3 N2 H1 89.1 1_565 1_565 1_565 no O3 N2 H1 171.1 1_565 1_565 1_565 no O3 N2 H1 46.0 1_565 1_565 1_565 no O3 N2 H4 110.3 1_565 1_565 1_565 no O3 N2 H5 120.5 1_565 1_565 1_565 no O3 N2 H5 90.2 1_565 1_565 1_565 no O3 N2 H5 127.5 1_565 1_565 1_565 no O3 N2 H5 48.4 1_565 1_565 1_565 no O3 N2 H10 104.7 1_565 1_565 1_565 no O4 N2 O4 108.5(7) . . . ? O4 N2 O4 127.9(2) . . . ? O4 N2 N1 86.7(4) . . . ? O4 N2 N3 20.6(2) . . . ? O4 N2 N3 102.6(6) . . . ? O4 N2 N3 133.1(1) . . . ? O4 N2 C1 100.9(2) . . . ? O4 N2 C2 64.3(7) . . . ? O4 N2 C3 65.9(8) . . . ? O4 N2 C4 74.3(7) . . . ? O4 N2 C6 71.1(4) . . . ? O4 N2 C7 91.8(2) . . . ? O4 N2 H1 64.5 . . . no O4 N2 H1 39.3 . . . no O4 N2 H1 148.0 . . . no O4 N2 H4 79.4 . . . no O4 N2 H5 55.1 . . . no O4 N2 H5 85.1 . . . no O4 N2 H5 72.9 . . . no O4 N2 H5 159.1 . . . no O4 N2 H10 105.4 . . . no O4 N2 O4 108.5(7) 4_554 4_554 4_554 ? O4 N2 N1 141.2(2) 4_554 4_554 4_554 ? O4 N2 N3 115.6(7) 4_554 4_554 4_554 ? O4 N2 N3 16.54(10) 4_554 4_554 4_554 ? O4 N2 N3 115.6(7) 4_554 4_554 4_554 ? O4 N2 C1 108.2(3) 4_554 4_554 4_554 ? O4 N2 C2 127.0(3) 4_554 4_554 4_554 ? O4 N2 C3 157.9(2) 4_554 4_554 4_554 ? O4 N2 C4 171.7(2) 4_554 4_554 4_554 ? O4 N2 C6 93.8(2) 4_554 4_554 4_554 ? O4 N2 C7 129.6(2) 4_554 4_554 4_554 ? O4 N2 H1 147.2 4_554 4_554 4_554 no O4 N2 H1 69.3 4_554 4_554 4_554 no O4 N2 H1 69.3 4_554 4_554 4_554 no O4 N2 H4 71.0 4_554 4_554 4_554 no O4 N2 H5 97.1 4_554 4_554 4_554 no O4 N2 H5 97.1 4_554 4_554 4_554 no O4 N2 H5 56.8 4_554 4_554 4_554 no O4 N2 H5 56.8 4_554 4_554 4_554 no O4 N2 H10 9.2 4_554 4_554 4_554 no O4 N2 N1 86.7(4) 1_565 1_565 1_565 ? O4 N2 N3 133.1(1) 1_565 1_565 1_565 ? O4 N2 N3 102.6(6) 1_565 1_565 1_565 ? O4 N2 N3 20.6(2) 1_565 1_565 1_565 ? O4 N2 C1 100.9(2) 1_565 1_565 1_565 ? O4 N2 C2 64.3(7) 1_565 1_565 1_565 ? O4 N2 C3 65.9(8) 1_565 1_565 1_565 ? O4 N2 C4 74.3(7) 1_565 1_565 1_565 ? O4 N2 C6 71.1(4) 1_565 1_565 1_565 ? O4 N2 C7 91.8(2) 1_565 1_565 1_565 ? O4 N2 H1 64.5 1_565 1_565 1_565 no O4 N2 H1 148.0 1_565 1_565 1_565 no O4 N2 H1 39.3 1_565 1_565 1_565 no O4 N2 H4 79.4 1_565 1_565 1_565 no O4 N2 H5 85.1 1_565 1_565 1_565 no O4 N2 H5 55.1 1_565 1_565 1_565 no O4 N2 H5 159.1 1_565 1_565 1_565 no O4 N2 H5 72.9 1_565 1_565 1_565 no O4 N2 H10 105.4 1_565 1_565 1_565 no N1 N2 N3 69.0(3) . . . ? N1 N2 N3 157.8(2) . . . ? N1 N2 N3 69.0(3) . . . ? N1 N2 C1 33.0(3) . . . ? N1 N2 C2 91.8(3) . . . ? N1 N2 C3 60.9(2) . . . ? N1 N2 C4 30.5(1) . . . ? N1 N2 C6 125.0(2) . . . ? N1 N2 C7 11.62(13) . . . ? N1 N2 H1 71.6 . . . no N1 N2 H1 115.4 . . . no N1 N2 H1 115.4 . . . no N1 N2 H4 147.8 . . . no N1 N2 H5 120.1 . . . no N1 N2 H5 120.1 . . . no N1 N2 H5 97.2 . . . no N1 N2 H5 97.2 . . . no N1 N2 H10 150.4 . . . no N3 N2 N3 115.1(6) . . . ? N3 N2 N3 128.6(2) . . . ? N3 N2 C1 80.3(2) . . . ? N3 N2 C2 76.6(8) . . . ? N3 N2 C3 67.2(8) . . . ? N3 N2 C4 64.4(7) . . . ? N3 N2 C6 90.4(5) . . . ? N3 N2 C7 72.4(2) . . . ? N3 N2 H1 69.9 . . . no N3 N2 H1 49.3 . . . no N3 N2 H1 167.0 . . . no N3 N2 H4 100.0 . . . no N3 N2 H5 74.7 . . . no N3 N2 H5 102.9 . . . no N3 N2 H5 66.7 . . . no N3 N2 H5 146.6 . . . no N3 N2 H10 115.6 . . . no N3 N2 N3 115.1(6) 4_554 4_554 4_554 ? N3 N2 C1 124.7(3) 4_554 4_554 4_554 ? N3 N2 C2 110.4(3) 4_554 4_554 4_554 ? N3 N2 C3 141.3(2) 4_554 4_554 4_554 ? N3 N2 C4 171.7(2) 4_554 4_554 4_554 ? N3 N2 C6 77.3(2) 4_554 4_554 4_554 ? N3 N2 C7 146.1(2) 4_554 4_554 4_554 ? N3 N2 H1 130.6 4_554 4_554 4_554 no N3 N2 H1 65.9 4_554 4_554 4_554 no N3 N2 H1 65.9 4_554 4_554 4_554 no N3 N2 H4 54.4 4_554 4_554 4_554 no N3 N2 H5 81.2 4_554 4_554 4_554 no N3 N2 H5 81.2 4_554 4_554 4_554 no N3 N2 H5 67.2 4_554 4_554 4_554 no N3 N2 H5 67.2 4_554 4_554 4_554 no N3 N2 H10 7.4 4_554 4_554 4_554 no N3 N2 C1 80.3(2) 1_565 1_565 1_565 ? N3 N2 C2 76.6(8) 1_565 1_565 1_565 ? N3 N2 C3 67.2(8) 1_565 1_565 1_565 ? N3 N2 C4 64.4(7) 1_565 1_565 1_565 ? N3 N2 C6 90.4(5) 1_565 1_565 1_565 ? N3 N2 C7 72.4(2) 1_565 1_565 1_565 ? N3 N2 H1 69.9 1_565 1_565 1_565 no N3 N2 H1 167.0 1_565 1_565 1_565 no N3 N2 H1 49.3 1_565 1_565 1_565 no N3 N2 H4 100.0 1_565 1_565 1_565 no N3 N2 H5 102.9 1_565 1_565 1_565 no N3 N2 H5 74.7 1_565 1_565 1_565 no N3 N2 H5 146.6 1_565 1_565 1_565 no N3 N2 H5 66.7 1_565 1_565 1_565 no N3 N2 H10 115.6 1_565 1_565 1_565 no C1 N2 C2 124.8(4) . . . ? C1 N2 C3 93.9(3) . . . ? C1 N2 C4 63.5(3) . . . ? C1 N2 C6 158.0(4) . . . ? C1 N2 C7 21.4(3) . . . ? C1 N2 H1 104.6 . . . no C1 N2 H1 110.1 . . . no C1 N2 H1 110.1 . . . no C1 N2 H4 179.2 . . . no C1 N2 H5 150.3 . . . no C1 N2 H5 150.3 . . . no C1 N2 H5 73.3 . . . no C1 N2 H5 73.3 . . . no C1 N2 H10 117.4 . . . no C2 N2 C3 30.9(3) . . . ? C2 N2 C4 61.3(3) . . . ? C2 N2 C6 33.2(3) . . . ? C2 N2 C7 103.4(3) . . . ? C2 N2 H1 20.2 . . . no C2 N2 H1 90.9 . . . no C2 N2 H1 90.9 . . . no C2 N2 H4 56.0 . . . no C2 N2 H5 33.1 . . . no C2 N2 H5 33.1 . . . no C2 N2 H5 135.7 . . . no C2 N2 H5 135.7 . . . no C2 N2 H10 117.8 . . . no C3 N2 C4 30.4(2) . . . ? C3 N2 C6 64.1(2) . . . ? C3 N2 C7 72.5(2) . . . ? C3 N2 H1 10.7 . . . no C3 N2 H1 103.5 . . . no C3 N2 H1 103.5 . . . no C3 N2 H4 86.9 . . . no C3 N2 H5 61.7 . . . no C3 N2 H5 61.7 . . . no C3 N2 H5 133.6 . . . no C3 N2 H5 133.6 . . . no C3 N2 H10 148.7 . . . no C4 N2 C6 94.4(2) . . . ? C4 N2 C7 42.1(2) . . . ? C4 N2 H1 41.1 . . . no C4 N2 H1 112.6 . . . no C4 N2 H1 112.6 . . . no C4 N2 H4 117.3 . . . no C4 N2 H5 90.8 . . . no C4 N2 H5 90.8 . . . no C4 N2 H5 118.2 . . . no C4 N2 H5 118.2 . . . no C4 N2 H10 179.1 . . . no C6 N2 C7 136.6(2) . . . ? C6 N2 H1 53.3 . . . no C6 N2 H1 77.2 . . . no C6 N2 H1 77.2 . . . no C6 N2 H4 22.8 . . . no C6 N2 H5 16.1 . . . no C6 N2 H5 16.1 . . . no C6 N2 H5 121.2 . . . no C6 N2 H5 121.2 . . . no C6 N2 H10 84.7 . . . no C7 N2 H1 83.3 . . . no C7 N2 H1 114.5 . . . no C7 N2 H1 114.5 . . . no C7 N2 H4 159.4 . . . no C7 N2 H5 131.0 . . . no C7 N2 H5 131.0 . . . no C7 N2 H5 88.7 . . . no C7 N2 H5 88.7 . . . no C7 N2 H10 138.7 . . . no H1 N2 H1 99.4 . . . no H1 N2 H1 99.4 . . . no H1 N2 H4 76.2 . . . no H1 N2 H5 51.5 . . . no H1 N2 H5 51.5 . . . no H1 N2 H5 136.2 . . . no H1 N2 H5 136.2 . . . no H1 N2 H10 138.0 . . . no H1 N2 H1 129.0 4_554 4_554 4_554 no H1 N2 H4 69.6 4_554 4_554 4_554 no H1 N2 H5 64.2 4_554 4_554 4_554 no H1 N2 H5 93.0 4_554 4_554 4_554 no H1 N2 H5 46.3 4_554 4_554 4_554 no H1 N2 H5 122.8 4_554 4_554 4_554 no H1 N2 H10 67.2 4_554 4_554 4_554 no H1 N2 H4 69.6 4_564 4_564 4_564 no H1 N2 H5 93.0 4_564 4_564 4_564 no H1 N2 H5 64.2 4_564 4_564 4_564 no H1 N2 H5 122.8 4_564 4_564 4_564 no H1 N2 H5 46.3 4_564 4_564 4_564 no H1 N2 H10 67.2 4_564 4_564 4_564 no H4 N2 H5 30.4 . . . no H4 N2 H5 30.4 . . . no H4 N2 H5 106.1 . . . no H4 N2 H5 106.1 . . . no H4 N2 H10 61.8 . . . no H5 N2 H5 31.3 . . . no H5 N2 H5 110.2 . . . no H5 N2 H5 135.5 . . . no H5 N2 H10 88.3 . . . no H5 N2 H5 135.5 7 7 7 no H5 N2 H5 110.2 7 7 7 no H5 N2 H10 88.3 7 7 7 no H5 N2 H5 86.2 4_554 4_554 4_554 no H5 N2 H10 62.3 4_554 4_554 4_554 no H5 N2 H10 62.3 6_554 6_554 6_554 no O2 N3 O3 120.9(5) . . . ? O2 N3 O4 120.2(5) . . . ? O2 N3 N1 80.8(8) . . . ? O2 N3 N1 80.8(8) . . . ? O2 N3 N2 115.5(6) . . . ? O2 N3 N2 80.4(3) . . . ? O2 N3 N2 115.5(6) . . . ? O2 N3 C1 103.5(7) . . . ? O2 N3 C1 103.5(7) . . . ? O2 N3 C2 105.7(8) . . . ? O2 N3 C2 105.7(8) . . . ? O2 N3 C3 83.0(7) . . . ? O2 N3 C3 83.0(7) . . . ? O2 N3 C4 70.0(7) . . . ? O2 N3 C4 70.0(7) . . . ? O2 N3 C6 43.9(3) . . . ? O2 N3 H1 77.5 . . . no O2 N3 H1 77.5 . . . no O2 N3 H1 171.9 . . . no O2 N3 H3 39.4 . . . no O2 N3 H3 39.4 . . . no O2 N3 H4 39.7 . . . no O2 N3 H5 115.8 . . . no O2 N3 H5 142.2 . . . no O2 N3 H5 115.8 . . . no O2 N3 H5 142.2 . . . no O2 N3 H6 63.5 . . . no O2 N3 H6 63.5 . . . no O2 N3 H10 83.0 . . . no O3 N3 O4 119.0(5) . . . ? O3 N3 N1 76.8(9) . . . ? O3 N3 N1 76.8(9) . . . ? O3 N3 N2 74.6(8) . . . ? O3 N3 N2 158.8(4) . . . ? O3 N3 N2 74.6(8) . . . ? O3 N3 C1 63.1(8) . . . ? O3 N3 C1 63.1(8) . . . ? O3 N3 C2 96.6(9) . . . ? O3 N3 C2 96.6(9) . . . ? O3 N3 C3 110.0(8) . . . ? O3 N3 C3 110.0(8) . . . ? O3 N3 C4 99.7(9) . . . ? O3 N3 C4 99.7(9) . . . ? O3 N3 C6 164.7(4) . . . ? O3 N3 H1 125.4 . . . no O3 N3 H1 125.4 . . . no O3 N3 H1 67.2 . . . no O3 N3 H3 108.2 . . . no O3 N3 H3 108.2 . . . no O3 N3 H4 160.6 . . . no O3 N3 H5 110.7 . . . no O3 N3 H5 25.9 . . . no O3 N3 H5 110.7 . . . no O3 N3 H5 25.9 . . . no O3 N3 H6 61.9 . . . no O3 N3 H6 61.9 . . . no O3 N3 H10 156.2 . . . no O4 N3 N1 113.05(13) . . . ? O4 N3 N1 113.05(13) . . . ? O4 N3 N2 80.2(2) . . . ? O4 N3 N2 39.8(3) . . . ? O4 N3 N2 80.2(2) . . . ? O4 N3 C1 102.6(2) . . . ? O4 N3 C1 102.6(2) . . . ? O4 N3 C2 66.9(2) . . . ? O4 N3 C2 66.9(2) . . . ? O4 N3 C3 77.3(2) . . . ? O4 N3 C3 77.3(2) . . . ? O4 N3 C4 100.3(2) . . . ? O4 N3 C4 100.3(2) . . . ? O4 N3 C6 76.3(3) . . . ? O4 N3 H1 68.7 . . . no O4 N3 H1 68.7 . . . no O4 N3 H1 51.8 . . . no O4 N3 H3 118.2 . . . no O4 N3 H3 118.2 . . . no O4 N3 H4 80.5 . . . no O4 N3 H5 36.8 . . . no O4 N3 H5 95.7 . . . no O4 N3 H5 36.8 . . . no O4 N3 H5 95.7 . . . no O4 N3 H6 158.2 . . . no O4 N3 H6 158.2 . . . no O4 N3 H10 37.2 . . . no N1 N3 N1 133.6(2) . . . ? N1 N3 N2 38.8(2) . . . ? N1 N3 N2 109.2(7) . . . ? N1 N3 N2 151.4(2) . . . ? N1 N3 C1 22.7(2) . . . ? N1 N3 C1 135.8(2) . . . ? N1 N3 C2 46.25(10) . . . ? N1 N3 C2 172.6(2) . . . ? N1 N3 C3 40.18(12) . . . ? N1 N3 C3 163.7(2) . . . ? N1 N3 C4 22.93(10) . . . ? N1 N3 C4 143.7(2) . . . ? N1 N3 C6 97.8(9) . . . ? N1 N3 H1 54.4 . . . no N1 N3 H1 155.0 . . . no N1 N3 H1 102.0 . . . no N1 N3 H3 42.7 . . . no N1 N3 H3 114.7 . . . no N1 N3 H4 96.2 . . . no N1 N3 H5 76.2 . . . no N1 N3 H5 96.3 . . . no N1 N3 H5 149.5 . . . no N1 N3 H5 74.1 . . . no N1 N3 H6 45.2 . . . no N1 N3 H6 88.6 . . . no N1 N3 H10 109.8 . . . no N1 N3 N2 151.4(2) 1_545 1_545 1_545 ? N1 N3 N2 109.2(7) 1_545 1_545 1_545 ? N1 N3 N2 38.8(2) 1_545 1_545 1_545 ? N1 N3 C1 135.8(2) 1_545 1_545 1_545 ? N1 N3 C1 22.7(2) 1_545 1_545 1_545 ? N1 N3 C2 172.6(2) 1_545 1_545 1_545 ? N1 N3 C2 46.25(10) 1_545 1_545 1_545 ? N1 N3 C3 163.7(2) 1_545 1_545 1_545 ? N1 N3 C3 40.18(12) 1_545 1_545 1_545 ? N1 N3 C4 143.7(2) 1_545 1_545 1_545 ? N1 N3 C4 22.93(10) 1_545 1_545 1_545 ? N1 N3 C6 97.8(9) 1_545 1_545 1_545 ? N1 N3 H1 155.0 1_545 1_545 1_545 no N1 N3 H1 54.4 1_545 1_545 1_545 no N1 N3 H1 102.0 1_545 1_545 1_545 no N1 N3 H3 114.7 1_545 1_545 1_545 no N1 N3 H3 42.7 1_545 1_545 1_545 no N1 N3 H4 96.2 1_545 1_545 1_545 no N1 N3 H5 149.5 1_545 1_545 1_545 no N1 N3 H5 74.1 1_545 1_545 1_545 no N1 N3 H5 76.2 1_545 1_545 1_545 no N1 N3 H5 96.3 1_545 1_545 1_545 no N1 N3 H6 88.6 1_545 1_545 1_545 no N1 N3 H6 45.2 1_545 1_545 1_545 no N1 N3 H10 109.8 1_545 1_545 1_545 no N2 N3 N2 97.1(6) . . . ? N2 N3 N2 128.6(2) . . . ? N2 N3 C1 22.4(2) . . . ? N2 N3 C1 133.1(2) . . . ? N2 N3 C2 22.15(13) . . . ? N2 N3 C2 136.4(2) . . . ? N2 N3 C3 39.12(12) . . . ? N2 N3 C3 156.1(2) . . . ? N2 N3 C4 45.60(12) . . . ? N2 N3 C4 173.5(2) . . . ? N2 N3 C6 110.3(8) . . . ? N2 N3 H1 52.5 . . . no N2 N3 H1 148.4 . . . no N2 N3 H1 65.3 . . . no N2 N3 H3 76.2 . . . no N2 N3 H3 153.2 . . . no N2 N3 H4 111.4 . . . no N2 N3 H5 46.3 . . . no N2 N3 H5 79.5 . . . no N2 N3 H5 112.8 . . . no N2 N3 H5 56.0 . . . no N2 N3 H6 79.4 . . . no N2 N3 H6 118.8 . . . no N2 N3 H10 96.0 . . . no N2 N3 N2 97.1(6) 4 4 4 ? N2 N3 C1 114.9(6) 4 4 4 ? N2 N3 C1 114.9(6) 4 4 4 ? N2 N3 C2 75.7(7) 4 4 4 ? N2 N3 C2 75.7(7) 4 4 4 ? N2 N3 C3 70.1(6) 4 4 4 ? N2 N3 C3 70.1(6) 4 4 4 ? N2 N3 C4 87.2(7) 4 4 4 ? N2 N3 C4 87.2(7) 4 4 4 ? N2 N3 C6 36.49(11) 4 4 4 ? N2 N3 H1 55.0 4 4 4 no N2 N3 H1 55.0 4 4 4 no N2 N3 H1 91.6 4 4 4 no N2 N3 H3 88.1 4 4 4 no N2 N3 H3 88.1 4 4 4 no N2 N3 H4 40.6 4 4 4 no N2 N3 H5 53.9 4 4 4 no N2 N3 H5 134.4 4 4 4 no N2 N3 H5 53.9 4 4 4 no N2 N3 H5 134.4 4 4 4 no N2 N3 H6 136.8 4 4 4 no N2 N3 H6 136.8 4 4 4 no N2 N3 H10 2.6 4 4 4 no N2 N3 C1 133.1(2) 1_545 1_545 1_545 ? N2 N3 C1 22.4(2) 1_545 1_545 1_545 ? N2 N3 C2 136.4(2) 1_545 1_545 1_545 ? N2 N3 C2 22.15(13) 1_545 1_545 1_545 ? N2 N3 C3 156.1(2) 1_545 1_545 1_545 ? N2 N3 C3 39.12(12) 1_545 1_545 1_545 ? N2 N3 C4 173.5(2) 1_545 1_545 1_545 ? N2 N3 C4 45.60(12) 1_545 1_545 1_545 ? N2 N3 C6 110.3(8) 1_545 1_545 1_545 ? N2 N3 H1 148.4 1_545 1_545 1_545 no N2 N3 H1 52.5 1_545 1_545 1_545 no N2 N3 H1 65.3 1_545 1_545 1_545 no N2 N3 H3 153.2 1_545 1_545 1_545 no N2 N3 H3 76.2 1_545 1_545 1_545 no N2 N3 H4 111.4 1_545 1_545 1_545 no N2 N3 H5 112.8 1_545 1_545 1_545 no N2 N3 H5 56.0 1_545 1_545 1_545 no N2 N3 H5 46.3 1_545 1_545 1_545 no N2 N3 H5 79.5 1_545 1_545 1_545 no N2 N3 H6 118.8 1_545 1_545 1_545 no N2 N3 H6 79.4 1_545 1_545 1_545 no N2 N3 H10 96.0 1_545 1_545 1_545 no C1 N3 C1 126.2(2) . . . ? C1 N3 C2 40.1(2) . . . ? C1 N3 C2 150.3(2) . . . ? C1 N3 C3 47.0(1) . . . ? C1 N3 C3 172.2(2) . . . ? C1 N3 C4 40.4(2) . . . ? C1 N3 C4 156.1(2) . . . ? C1 N3 C6 115.9(8) . . . ? C1 N3 H1 62.6 . . . no C1 N3 H1 169.8 . . . no C1 N3 H1 79.9 . . . no C1 N3 H3 65.4 . . . no C1 N3 H3 134.5 . . . no C1 N3 H4 115.3 . . . no C1 N3 H5 68.0 . . . no C1 N3 H5 77.2 . . . no C1 N3 H5 133.9 . . . no C1 N3 H5 53.6 . . . no C1 N3 H6 57.2 . . . no C1 N3 H6 96.7 . . . no C1 N3 H10 114.4 . . . no C1 N3 C2 150.3(2) 1_545 1_545 1_545 ? C1 N3 C2 40.1(2) 1_545 1_545 1_545 ? C1 N3 C3 172.2(2) 1_545 1_545 1_545 ? C1 N3 C3 47.0(1) 1_545 1_545 1_545 ? C1 N3 C4 156.1(2) 1_545 1_545 1_545 ? C1 N3 C4 40.4(2) 1_545 1_545 1_545 ? C1 N3 C6 115.9(8) 1_545 1_545 1_545 ? C1 N3 H1 169.8 1_545 1_545 1_545 no C1 N3 H1 62.6 1_545 1_545 1_545 no C1 N3 H1 79.9 1_545 1_545 1_545 no C1 N3 H3 134.5 1_545 1_545 1_545 no C1 N3 H3 65.4 1_545 1_545 1_545 no C1 N3 H4 115.3 1_545 1_545 1_545 no C1 N3 H5 133.9 1_545 1_545 1_545 no C1 N3 H5 53.6 1_545 1_545 1_545 no C1 N3 H5 68.0 1_545 1_545 1_545 no C1 N3 H5 77.2 1_545 1_545 1_545 no C1 N3 H6 96.7 1_545 1_545 1_545 no C1 N3 H6 57.2 1_545 1_545 1_545 no C1 N3 H10 114.4 1_545 1_545 1_545 no C2 N3 C2 132.6(2) . . . ? C2 N3 C3 22.73(11) . . . ? C2 N3 C3 142.7(2) . . . ? C2 N3 C4 40.11(13) . . . ? C2 N3 C4 162.9(2) . . . ? C2 N3 C6 89.4(9) . . . ? C2 N3 H1 32.4 . . . no C2 N3 H1 129.7 . . . no C2 N3 H1 71.9 . . . no C2 N3 H3 70.4 . . . no C2 N3 H3 144.4 . . . no C2 N3 H4 91.1 . . . no C2 N3 H5 30.0 . . . no C2 N3 H5 98.5 . . . no C2 N3 H5 103.3 . . . no C2 N3 H5 76.4 . . . no C2 N3 H6 91.4 . . . no C2 N3 H6 134.5 . . . no C2 N3 H10 74.9 . . . no C2 N3 C3 142.7(2) 1_545 1_545 1_545 ? C2 N3 C3 22.73(11) 1_545 1_545 1_545 ? C2 N3 C4 162.9(2) 1_545 1_545 1_545 ? C2 N3 C4 40.11(13) 1_545 1_545 1_545 ? C2 N3 C6 89.4(9) 1_545 1_545 1_545 ? C2 N3 H1 129.7 1_545 1_545 1_545 no C2 N3 H1 32.4 1_545 1_545 1_545 no C2 N3 H1 71.9 1_545 1_545 1_545 no C2 N3 H3 144.4 1_545 1_545 1_545 no C2 N3 H3 70.4 1_545 1_545 1_545 no C2 N3 H4 91.1 1_545 1_545 1_545 no C2 N3 H5 103.3 1_545 1_545 1_545 no C2 N3 H5 76.4 1_545 1_545 1_545 no C2 N3 H5 30.0 1_545 1_545 1_545 no C2 N3 H5 98.5 1_545 1_545 1_545 no C2 N3 H6 134.5 1_545 1_545 1_545 no C2 N3 H6 91.4 1_545 1_545 1_545 no C2 N3 H10 74.9 1_545 1_545 1_545 no C3 N3 C3 139.4(2) . . . ? C3 N3 C4 23.1(2) . . . ? C3 N3 C4 147.4(2) . . . ? C3 N3 C6 71.8(9) . . . ? C3 N3 H1 15.6 . . . no C3 N3 H1 123.8 . . . no C3 N3 H1 94.3 . . . no C3 N3 H3 49.5 . . . no C3 N3 H3 121.7 . . . no C3 N3 H4 72.5 . . . no C3 N3 H5 43.3 . . . no C3 N3 H5 118.6 . . . no C3 N3 H5 113.3 . . . no C3 N3 H5 95.0 . . . no C3 N3 H6 82.2 . . . no C3 N3 H6 123.9 . . . no C3 N3 H10 70.3 . . . no C3 N3 C4 147.4(2) 1_545 1_545 1_545 ? C3 N3 C4 23.1(2) 1_545 1_545 1_545 ? C3 N3 C6 71.8(9) 1_545 1_545 1_545 ? C3 N3 H1 123.8 1_545 1_545 1_545 no C3 N3 H1 15.6 1_545 1_545 1_545 no C3 N3 H1 94.3 1_545 1_545 1_545 no C3 N3 H3 121.7 1_545 1_545 1_545 no C3 N3 H3 49.5 1_545 1_545 1_545 no C3 N3 H4 72.5 1_545 1_545 1_545 no C3 N3 H5 113.3 1_545 1_545 1_545 no C3 N3 H5 95.0 1_545 1_545 1_545 no C3 N3 H5 43.3 1_545 1_545 1_545 no C3 N3 H5 118.6 1_545 1_545 1_545 no C3 N3 H6 123.9 1_545 1_545 1_545 no C3 N3 H6 82.2 1_545 1_545 1_545 no C3 N3 H10 70.3 1_545 1_545 1_545 no C4 N3 C4 139.9(2) . . . ? C4 N3 C6 76.0(9) . . . ? C4 N3 H1 33.8 . . . no C4 N3 H1 133.7 . . . no C4 N3 H1 109.9 . . . no C4 N3 H3 31.3 . . . no C4 N3 H3 108.9 . . . no C4 N3 H4 75.0 . . . no C4 N3 H5 66.0 . . . no C4 N3 H5 117.5 . . . no C4 N3 H5 135.8 . . . no C4 N3 H5 94.0 . . . no C4 N3 H6 59.6 . . . no C4 N3 H6 100.8 . . . no C4 N3 H10 88.1 . . . no C4 N3 C6 76.0(9) 1_545 1_545 1_545 ? C4 N3 H1 133.7 1_545 1_545 1_545 no C4 N3 H1 33.8 1_545 1_545 1_545 no C4 N3 H1 109.9 1_545 1_545 1_545 no C4 N3 H3 108.9 1_545 1_545 1_545 no C4 N3 H3 31.3 1_545 1_545 1_545 no C4 N3 H4 75.0 1_545 1_545 1_545 no C4 N3 H5 135.8 1_545 1_545 1_545 no C4 N3 H5 94.0 1_545 1_545 1_545 no C4 N3 H5 66.0 1_545 1_545 1_545 no C4 N3 H5 117.5 1_545 1_545 1_545 no C4 N3 H6 100.8 1_545 1_545 1_545 no C4 N3 H6 59.6 1_545 1_545 1_545 no C4 N3 H10 88.1 1_545 1_545 1_545 no C6 N3 H1 57.7 4 4 4 no C6 N3 H1 57.7 4 4 4 no C6 N3 H1 128.1 4 4 4 no C6 N3 H3 60.7 4 4 4 no C6 N3 H3 60.7 4 4 4 no C6 N3 H4 4.1 4 4 4 no C6 N3 H5 81.3 4 4 4 no C6 N3 H5 165.7 4 4 4 no C6 N3 H5 81.3 4 4 4 no C6 N3 H5 165.7 4 4 4 no C6 N3 H6 104.1 4 4 4 no C6 N3 H6 104.1 4 4 4 no C6 N3 H10 39.1 4 4 4 no H1 N3 H1 108.2 . . . no H1 N3 H1 97.9 . . . no H1 N3 H3 51.5 . . . no H1 N3 H3 113.2 . . . no H1 N3 H4 59.0 . . . no H1 N3 H5 40.8 . . . no H1 N3 H5 130.8 . . . no H1 N3 H5 102.3 . . . no H1 N3 H5 108.4 . . . no H1 N3 H6 92.8 . . . no H1 N3 H6 130.4 . . . no H1 N3 H10 55.4 . . . no H1 N3 H1 97.9 1_545 1_545 1_545 no H1 N3 H3 113.2 1_545 1_545 1_545 no H1 N3 H3 51.5 1_545 1_545 1_545 no H1 N3 H4 59.0 1_545 1_545 1_545 no H1 N3 H5 102.3 1_545 1_545 1_545 no H1 N3 H5 108.4 1_545 1_545 1_545 no H1 N3 H5 40.8 1_545 1_545 1_545 no H1 N3 H5 130.8 1_545 1_545 1_545 no H1 N3 H6 130.4 1_545 1_545 1_545 no H1 N3 H6 92.8 1_545 1_545 1_545 no H1 N3 H10 55.4 1_545 1_545 1_545 no H1 N3 H3 141.2 4_554 4_554 4_554 no H1 N3 H3 141.2 4_554 4_554 4_554 no H1 N3 H4 132.2 4_554 4_554 4_554 no H1 N3 H5 58.3 4_554 4_554 4_554 no H1 N3 H5 45.4 4_554 4_554 4_554 no H1 N3 H5 58.3 4_554 4_554 4_554 no H1 N3 H5 45.4 4_554 4_554 4_554 no H1 N3 H6 123.7 4_554 4_554 4_554 no H1 N3 H6 123.7 4_554 4_554 4_554 no H1 N3 H10 89.0 4_554 4_554 4_554 no H3 N3 H3 77.7 . . . no H3 N3 H4 57.8 . . . no H3 N3 H5 91.5 . . . no H3 N3 H5 133.3 . . . no H3 N3 H5 141.0 . . . no H3 N3 H5 115.1 . . . no H3 N3 H6 49.0 . . . no H3 N3 H6 78.9 . . . no H3 N3 H10 90.1 . . . no H3 N3 H4 57.8 7_545 7_545 7_545 no H3 N3 H5 141.0 7_545 7_545 7_545 no H3 N3 H5 115.1 7_545 7_545 7_545 no H3 N3 H5 91.5 7_545 7_545 7_545 no H3 N3 H5 133.3 7_545 7_545 7_545 no H3 N3 H6 78.9 7_545 7_545 7_545 no H3 N3 H6 49.0 7_545 7_545 7_545 no H3 N3 H10 90.1 7_545 7_545 7_545 no H4 N3 H5 84.6 4 4 4 no H4 N3 H5 167.4 4 4 4 no H4 N3 H5 84.6 4 4 4 no H4 N3 H5 167.4 4 4 4 no H4 N3 H6 100.3 4 4 4 no H4 N3 H6 100.3 4 4 4 no H4 N3 H10 43.3 4 4 4 no H5 N3 H5 99.6 . . . no H5 N3 H5 73.5 . . . no H5 N3 H5 85.3 . . . no H5 N3 H6 121.4 . . . no H5 N3 H6 164.5 . . . no H5 N3 H10 52.1 . . . no H5 N3 H5 85.3 6_544 6_544 6_544 no H5 N3 H5 24.1 6_544 6_544 6_544 no H5 N3 H6 87.7 6_544 6_544 6_544 no H5 N3 H6 78.8 6_544 6_544 6_544 no H5 N3 H10 131.9 6_544 6_544 6_544 no H5 N3 H5 99.6 7_545 7_545 7_545 no H5 N3 H6 164.5 7_545 7_545 7_545 no H5 N3 H6 121.4 7_545 7_545 7_545 no H5 N3 H10 52.1 7_545 7_545 7_545 no H5 N3 H6 78.8 4_554 4_554 4_554 no H5 N3 H6 87.7 4_554 4_554 4_554 no H5 N3 H10 131.9 4_554 4_554 4_554 no H6 N3 H6 43.4 . . . no H6 N3 H10 139.0 . . . no H6 N3 H10 139.0 7_545 7_545 7_545 no O1 C1 O3 97.4(9) . . . ? O1 C1 O3 97.4(9) . . . ? O1 C1 O4 73.6(3) . . . ? O1 C1 N1 122.2(4) . . . ? O1 C1 N2 123.6(5) . . . ? O1 C1 N3 116.8(7) . . . ? O1 C1 N3 116.8(7) . . . ? O1 C1 C2 150.8(4) . . . ? O1 C1 C3 180.0(4) . . . ? O1 C1 C4 150.8(4) . . . ? O1 C1 C5 139.2(4) . . . ? O1 C1 C6 137.6(4) . . . ? O1 C1 C7 89.9(3) . . . ? O1 C1 C8 83.8(4) . . . ? O1 C1 C8 83.8(4) . . . ? O1 C1 H1 178.9 . . . no O1 C1 H2 19.1 . . . no O1 C1 H4 123.1 . . . no O1 C1 H5 58.8 . . . no O1 C1 H5 58.8 . . . no O1 C1 H6 88.1 . . . no O1 C1 H6 88.1 . . . no O1 C1 H10 98.3 . . . no O3 C1 O3 165.1(2) . . . ? O3 C1 O4 92.7(7) . . . ? O3 C1 N1 85.5(8) . . . ? O3 C1 N2 86.4(2) . . . ? O3 C1 N3 19.5(2) . . . ? O3 C1 N3 145.6(3) . . . ? O3 C1 C2 83.8(6) . . . ? O3 C1 C3 82.6(9) . . . ? O3 C1 C4 83.2(10) . . . ? O3 C1 C5 84.0(10) . . . ? O3 C1 C6 84.9(4) . . . ? O3 C1 C7 89.4(4) . . . ? O3 C1 C8 69.4(3) . . . ? O3 C1 C8 111.1(3) . . . ? O3 C1 H1 82.6 . . . no O3 C1 H2 97.2 . . . no O3 C1 H4 86.5 . . . no O3 C1 H5 50.9 . . . no O3 C1 H5 140.8 . . . no O3 C1 H6 52.7 . . . no O3 C1 H6 126.7 . . . no O3 C1 H10 89.5 . . . no O3 C1 O4 92.7(7) 1_565 1_565 1_565 ? O3 C1 N1 85.5(8) 1_565 1_565 1_565 ? O3 C1 N2 86.4(2) 1_565 1_565 1_565 ? O3 C1 N3 145.6(3) 1_565 1_565 1_565 ? O3 C1 N3 19.5(2) 1_565 1_565 1_565 ? O3 C1 C2 83.8(6) 1_565 1_565 1_565 ? O3 C1 C3 82.6(9) 1_565 1_565 1_565 ? O3 C1 C4 83.2(10) 1_565 1_565 1_565 ? O3 C1 C5 84.0(10) 1_565 1_565 1_565 ? O3 C1 C6 84.9(4) 1_565 1_565 1_565 ? O3 C1 C7 89.4(4) 1_565 1_565 1_565 ? O3 C1 C8 111.1(3) 1_565 1_565 1_565 ? O3 C1 C8 69.4(3) 1_565 1_565 1_565 ? O3 C1 H1 82.6 1_565 1_565 1_565 no O3 C1 H2 97.2 1_565 1_565 1_565 no O3 C1 H4 86.5 1_565 1_565 1_565 no O3 C1 H5 140.8 1_565 1_565 1_565 no O3 C1 H5 50.9 1_565 1_565 1_565 no O3 C1 H6 126.7 1_565 1_565 1_565 no O3 C1 H6 52.7 1_565 1_565 1_565 no O3 C1 H10 89.5 1_565 1_565 1_565 no O4 C1 N1 164.1(3) 4_554 4_554 4_554 ? O4 C1 N2 50.0(3) 4_554 4_554 4_554 ? O4 C1 N3 99.2(6) 4_554 4_554 4_554 ? O4 C1 N3 99.2(6) 4_554 4_554 4_554 ? O4 C1 C2 77.2(2) 4_554 4_554 4_554 ? O4 C1 C3 106.3(2) 4_554 4_554 4_554 ? O4 C1 C4 135.5(2) 4_554 4_554 4_554 ? O4 C1 C5 147.2(2) 4_554 4_554 4_554 ? O4 C1 C6 63.97(13) 4_554 4_554 4_554 ? O4 C1 C7 163.5(3) 4_554 4_554 4_554 ? O4 C1 C8 149.2(3) 4_554 4_554 4_554 ? O4 C1 C8 149.2(3) 4_554 4_554 4_554 ? O4 C1 H1 105.3 4_554 4_554 4_554 no O4 C1 H2 54.5 4_554 4_554 4_554 no O4 C1 H4 49.4 4_554 4_554 4_554 no O4 C1 H5 52.7 4_554 4_554 4_554 no O4 C1 H5 52.7 4_554 4_554 4_554 no O4 C1 H6 138.8 4_554 4_554 4_554 no O4 C1 H6 138.8 4_554 4_554 4_554 no O4 C1 H10 24.6 4_554 4_554 4_554 no N1 C1 N2 114.2(5) . . . ? N1 C1 N3 74.3(7) . . . ? N1 C1 N3 74.3(7) . . . ? N1 C1 C2 87.0(3) . . . ? N1 C1 C3 57.8(3) . . . ? N1 C1 C4 28.6(2) . . . ? N1 C1 C5 16.9(2) . . . ? N1 C1 C6 100.2(3) . . . ? N1 C1 C7 32.4(2) . . . ? N1 C1 C8 43.4(4) . . . ? N1 C1 C8 43.4(4) . . . ? N1 C1 H1 58.8 . . . no N1 C1 H2 141.3 . . . no N1 C1 H4 114.7 . . . no N1 C1 H5 133.0 . . . no N1 C1 H5 133.0 . . . no N1 C1 H6 49.1 . . . no N1 C1 H6 49.1 . . . no N1 C1 H10 139.5 . . . no N2 C1 N3 77.3(2) . . . ? N2 C1 N3 77.3(2) . . . ? N2 C1 C2 27.2(2) . . . ? N2 C1 C3 56.4(3) . . . ? N2 C1 C4 85.6(3) . . . ? N2 C1 C5 97.2(3) . . . ? N2 C1 C6 14.0(2) . . . ? N2 C1 C7 146.6(4) . . . ? N2 C1 C8 146.3(4) . . . ? N2 C1 C8 146.3(4) . . . ? N2 C1 H1 55.3 . . . no N2 C1 H2 104.5 . . . no N2 C1 H4 0.5 . . . no N2 C1 H5 83.5 . . . no N2 C1 H5 83.5 . . . no N2 C1 H6 132.8 . . . no N2 C1 H6 132.8 . . . no N2 C1 H10 25.3 . . . no N3 C1 N3 126.2(2) . . . ? N3 C1 C2 67.9(4) . . . ? N3 C1 C3 63.2(7) . . . ? N3 C1 C4 65.7(8) . . . ? N3 C1 C5 68.6(8) . . . ? N3 C1 C6 72.0(3) . . . ? N3 C1 C7 88.1(4) . . . ? N3 C1 C8 72.4(3) . . . ? N3 C1 C8 109.7(3) . . . ? N3 C1 H1 63.2 . . . no N3 C1 H2 116.0 . . . no N3 C1 H4 77.5 . . . no N3 C1 H5 67.6 . . . no N3 C1 H5 151.9 . . . no N3 C1 H6 56.3 . . . no N3 C1 H6 121.9 . . . no N3 C1 H10 88.3 . . . no N3 C1 C2 67.9(4) 1_565 1_565 1_565 ? N3 C1 C3 63.2(7) 1_565 1_565 1_565 ? N3 C1 C4 65.7(8) 1_565 1_565 1_565 ? N3 C1 C5 68.6(8) 1_565 1_565 1_565 ? N3 C1 C6 72.0(3) 1_565 1_565 1_565 ? N3 C1 C7 88.1(4) 1_565 1_565 1_565 ? N3 C1 C8 109.7(3) 1_565 1_565 1_565 ? N3 C1 C8 72.4(3) 1_565 1_565 1_565 ? N3 C1 H1 63.2 1_565 1_565 1_565 no N3 C1 H2 116.0 1_565 1_565 1_565 no N3 C1 H4 77.5 1_565 1_565 1_565 no N3 C1 H5 151.9 1_565 1_565 1_565 no N3 C1 H5 67.6 1_565 1_565 1_565 no N3 C1 H6 121.9 1_565 1_565 1_565 no N3 C1 H6 56.3 1_565 1_565 1_565 no N3 C1 H10 88.3 1_565 1_565 1_565 no C2 C1 C3 29.2(2) . . . ? C2 C1 C4 58.4(2) . . . ? C2 C1 C5 70.0(2) . . . ? C2 C1 C6 13.2(2) . . . ? C2 C1 C7 119.3(3) . . . ? C2 C1 C8 123.2(4) . . . ? C2 C1 C8 123.2(4) . . . ? C2 C1 H1 28.1 . . . no C2 C1 H2 131.7 . . . no C2 C1 H4 27.7 . . . no C2 C1 H5 102.6 . . . no C2 C1 H5 102.6 . . . no C2 C1 H6 114.6 . . . no C2 C1 H6 114.6 . . . no C2 C1 H10 52.5 . . . no C3 C1 C4 29.2(2) . . . ? C3 C1 C5 40.9(2) . . . ? C3 C1 C6 42.4(2) . . . ? C3 C1 C7 90.2(2) . . . ? C3 C1 C8 96.3(4) . . . ? C3 C1 C8 96.3(4) . . . ? C3 C1 H1 1.0 . . . no C3 C1 H2 160.9 . . . no C3 C1 H4 56.9 . . . no C3 C1 H5 121.2 . . . no C3 C1 H5 121.2 . . . no C3 C1 H6 91.9 . . . no C3 C1 H6 91.9 . . . no C3 C1 H10 81.7 . . . no C4 C1 C5 11.7(2) . . . ? C4 C1 C6 71.6(2) . . . ? C4 C1 C7 61.0(2) . . . ? C4 C1 C8 69.1(4) . . . ? C4 C1 C8 69.1(4) . . . ? C4 C1 H1 30.2 . . . no C4 C1 H2 169.9 . . . no C4 C1 H4 86.1 . . . no C4 C1 H5 133.3 . . . no C4 C1 H5 133.3 . . . no C4 C1 H6 69.0 . . . no C4 C1 H6 69.0 . . . no C4 C1 H10 110.9 . . . no C5 C1 C6 83.2(2) . . . ? C5 C1 C7 49.3(2) . . . ? C5 C1 C8 58.4(4) . . . ? C5 C1 C8 58.4(4) . . . ? C5 C1 H1 41.9 . . . no C5 C1 H2 158.3 . . . no C5 C1 H4 97.8 . . . no C5 C1 H5 134.8 . . . no C5 C1 H5 134.8 . . . no C5 C1 H6 60.4 . . . no C5 C1 H6 60.4 . . . no C5 C1 H10 122.6 . . . no C6 C1 C7 132.5(3) . . . ? C6 C1 C8 134.9(4) . . . ? C6 C1 C8 134.9(4) . . . ? C6 C1 H1 41.3 . . . no C6 C1 H2 118.5 . . . no C6 C1 H4 14.5 . . . no C6 C1 H5 93.4 . . . no C6 C1 H5 93.4 . . . no C6 C1 H6 124.0 . . . no C6 C1 H6 124.0 . . . no C6 C1 H10 39.3 . . . no C7 C1 C8 22.0(2) . . . ? C7 C1 C8 22.0(2) . . . ? C7 C1 H1 91.2 . . . no C7 C1 H2 109.0 . . . no C7 C1 H4 147.1 . . . no C7 C1 H5 118.6 . . . no C7 C1 H5 118.6 . . . no C7 C1 H6 37.4 . . . no C7 C1 H6 37.4 . . . no C7 C1 H10 171.9 . . . no C8 C1 C8 42.0(2) . . . ? C8 C1 H1 97.2 . . . no C8 C1 H2 101.6 . . . no C8 C1 H4 146.7 . . . no C8 C1 H5 97.7 . . . no C8 C1 H5 130.0 . . . no C8 C1 H6 16.8 . . . no C8 C1 H6 58.5 . . . no C8 C1 H10 158.9 . . . no C8 C1 H1 97.2 7 7 7 no C8 C1 H2 101.6 7 7 7 no C8 C1 H4 146.7 7 7 7 no C8 C1 H5 130.0 7 7 7 no C8 C1 H5 97.7 7 7 7 no C8 C1 H6 58.5 7 7 7 no C8 C1 H6 16.8 7 7 7 no C8 C1 H10 158.9 7 7 7 no H1 C1 H2 159.8 . . . no H1 C1 H4 55.9 . . . no H1 C1 H5 120.6 . . . no H1 C1 H5 120.6 . . . no H1 C1 H6 92.7 . . . no H1 C1 H6 92.7 . . . no H1 C1 H10 80.7 . . . no H2 C1 H4 104.0 1_554 1_554 1_554 no H2 C1 H5 49.8 1_554 1_554 1_554 no H2 C1 H5 49.8 1_554 1_554 1_554 no H2 C1 H6 103.2 1_554 1_554 1_554 no H2 C1 H6 103.2 1_554 1_554 1_554 no H2 C1 H10 79.2 1_554 1_554 1_554 no H4 C1 H5 83.1 . . . no H4 C1 H5 83.1 . . . no H4 C1 H6 133.1 . . . no H4 C1 H6 133.1 . . . no H4 C1 H10 24.8 . . . no H5 C1 H5 90.2 4_554 4_554 4_554 no H5 C1 H6 86.2 4_554 4_554 4_554 no H5 C1 H6 142.6 4_554 4_554 4_554 no H5 C1 H10 66.4 4_554 4_554 4_554 no H5 C1 H6 142.6 6_554 6_554 6_554 no H5 C1 H6 86.2 6_554 6_554 6_554 no H5 C1 H10 66.4 6_554 6_554 6_554 no H6 C1 H6 74.7 . . . no H6 C1 H10 142.2 . . . no H6 C1 H10 142.2 7 7 7 no O1 C2 O2 79.1(6) . . . ? O1 C2 O2 87.1(1) . . . ? O1 C2 O2 79.1(6) . . . ? O1 C2 O3 58.2(6) . . . ? O1 C2 O3 172.3(2) . . . ? O1 C2 O3 58.2(6) . . . ? O1 C2 O4 91.8(7) . . . ? O1 C2 O4 54.84(10) . . . ? O1 C2 O4 91.8(7) . . . ? O1 C2 N1 40.34(12) . . . ? O1 C2 N2 18.2(2) . . . ? O1 C2 N3 74.9(7) . . . ? O1 C2 N3 74.9(7) . . . ? O1 C2 C1 9.7(2) . . . ? O1 C2 C3 100.2(3) . . . ? O1 C2 C4 70.4(2) . . . ? O1 C2 C5 81.7(1) . . . ? O1 C2 C6 135.0(4) . . . ? O1 C2 H1 128.9 . . . no O1 C2 H1 76.9 . . . no O1 C2 H1 76.9 . . . no O1 C2 H2 95.9 . . . no O1 C2 H4 108.3 . . . no O1 C2 H5 140.3 . . . no O1 C2 H5 140.3 . . . no O1 C2 H10 43.8 . . . no O1 C2 H10 118.5 . . . no O1 C2 H10 118.5 . . . no O2 C2 O2 124.2(6) . . . ? O2 C2 O2 105.9(2) . . . ? O2 C2 O3 31.32(10) . . . ? O2 C2 O3 96.4(7) . . . ? O2 C2 O3 118.7(3) . . . ? O2 C2 O4 32.7(2) . . . ? O2 C2 O4 111.0(8) . . . ? O2 C2 O4 138.3(2) . . . ? O2 C2 N1 59.0(2) . . . ? O2 C2 N2 89.9(7) . . . ? O2 C2 N3 17.2(2) . . . ? O2 C2 N3 120.4(2) . . . ? O2 C2 C1 73.5(6) . . . ? O2 C2 C3 58.0(7) . . . ? O2 C2 C4 53.0(3) . . . ? O2 C2 C5 53.6(4) . . . ? O2 C2 C6 122.6(2) . . . ? O2 C2 H1 70.9 . . . no O2 C2 H1 64.6 . . . no O2 C2 H1 155.5 . . . no O2 C2 H2 56.7 . . . no O2 C2 H4 127.1 . . . no O2 C2 H5 96.1 . . . no O2 C2 H5 138.7 . . . no O2 C2 H10 105.0 . . . no O2 C2 H10 42.8 . . . no O2 C2 H10 126.6 . . . no O2 C2 O2 124.2(6) 4_554 4_554 4_554 ? O2 C2 O3 97.2(7) 4_554 4_554 4_554 ? O2 C2 O3 100.62(13) 4_554 4_554 4_554 ? O2 C2 O3 97.2(7) 4_554 4_554 4_554 ? O2 C2 O4 95.4(7) 4_554 4_554 4_554 ? O2 C2 O4 32.21(9) 4_554 4_554 4_554 ? O2 C2 O4 95.4(7) 4_554 4_554 4_554 ? O2 C2 N1 127.4(2) 4_554 4_554 4_554 ? O2 C2 N2 68.8(3) 4_554 4_554 4_554 ? O2 C2 N3 107.0(7) 4_554 4_554 4_554 ? O2 C2 N3 107.0(7) 4_554 4_554 4_554 ? O2 C2 C1 96.8(2) 4_554 4_554 4_554 ? O2 C2 C3 172.8(3) 4_554 4_554 4_554 ? O2 C2 C4 157.4(2) 4_554 4_554 4_554 ? O2 C2 C5 168.8(2) 4_554 4_554 4_554 ? O2 C2 C6 48.0(3) 4_554 4_554 4_554 ? O2 C2 H1 144.1 4_554 4_554 4_554 no O2 C2 H1 59.6 4_554 4_554 4_554 no O2 C2 H1 59.6 4_554 4_554 4_554 no O2 C2 H2 177.0 4_554 4_554 4_554 no O2 C2 H4 21.3 4_554 4_554 4_554 no O2 C2 H5 63.0 4_554 4_554 4_554 no O2 C2 H5 63.0 4_554 4_554 4_554 no O2 C2 H10 43.3 4_554 4_554 4_554 no O2 C2 H10 107.6 4_554 4_554 4_554 no O2 C2 H10 107.6 4_554 4_554 4_554 no O2 C2 O3 118.7(3) 1_565 1_565 1_565 ? O2 C2 O3 96.4(7) 1_565 1_565 1_565 ? O2 C2 O3 31.32(10) 1_565 1_565 1_565 ? O2 C2 O4 138.3(2) 1_565 1_565 1_565 ? O2 C2 O4 111.0(8) 1_565 1_565 1_565 ? O2 C2 O4 32.7(2) 1_565 1_565 1_565 ? O2 C2 N1 59.0(2) 1_565 1_565 1_565 ? O2 C2 N2 89.9(7) 1_565 1_565 1_565 ? O2 C2 N3 120.4(2) 1_565 1_565 1_565 ? O2 C2 N3 17.2(2) 1_565 1_565 1_565 ? O2 C2 C1 73.5(6) 1_565 1_565 1_565 ? O2 C2 C3 58.0(7) 1_565 1_565 1_565 ? O2 C2 C4 53.0(3) 1_565 1_565 1_565 ? O2 C2 C5 53.6(4) 1_565 1_565 1_565 ? O2 C2 C6 122.6(2) 1_565 1_565 1_565 ? O2 C2 H1 70.9 1_565 1_565 1_565 no O2 C2 H1 155.5 1_565 1_565 1_565 no O2 C2 H1 64.6 1_565 1_565 1_565 no O2 C2 H2 56.7 1_565 1_565 1_565 no O2 C2 H4 127.1 1_565 1_565 1_565 no O2 C2 H5 138.7 1_565 1_565 1_565 no O2 C2 H5 96.1 1_565 1_565 1_565 no O2 C2 H10 105.0 1_565 1_565 1_565 no O2 C2 H10 126.6 1_565 1_565 1_565 no O2 C2 H10 42.8 1_565 1_565 1_565 no O3 C2 O3 120.1(7) . . . ? O3 C2 O3 113.5(2) . . . ? O3 C2 O4 33.9(2) . . . ? O3 C2 O4 79.7(8) . . . ? O3 C2 O4 146.5(2) . . . ? O3 C2 N1 60.00(10) . . . ? O3 C2 N2 63.1(7) . . . ? O3 C2 N3 18.24(13) . . . ? O3 C2 N3 125.6(2) . . . ? O3 C2 C1 57.0(4) . . . ? O3 C2 C3 86.7(7) . . . ? O3 C2 C4 71.3(5) . . . ? O3 C2 C5 76.9(6) . . . ? O3 C2 C6 118.7(2) . . . ? O3 C2 H1 102.2 . . . no O3 C2 H1 41.8 . . . no O3 C2 H1 131.2 . . . no O3 C2 H2 84.4 . . . no O3 C2 H4 108.1 . . . no O3 C2 H5 98.2 . . . no O3 C2 H5 144.9 . . . no O3 C2 H10 74.1 . . . no O3 C2 H10 60.8 . . . no O3 C2 H10 155.0 . . . no O3 C2 O3 120.1(7) 4 4 4 ? O3 C2 O4 87.5(8) 4 4 4 ? O3 C2 O4 132.8(2) 4 4 4 ? O3 C2 O4 87.5(8) 4 4 4 ? O3 C2 N1 132.0(2) 4 4 4 ? O3 C2 N2 169.4(3) 4 4 4 ? O3 C2 N3 102.6(8) 4 4 4 ? O3 C2 N3 102.6(8) 4 4 4 ? O3 C2 C1 162.6(3) 4 4 4 ? O3 C2 C3 72.1(3) 4 4 4 ? O3 C2 C4 102.0(2) 4 4 4 ? O3 C2 C5 90.6(2) 4 4 4 ? O3 C2 C6 52.7(3) 4 4 4 ? O3 C2 H1 43.5 4 4 4 no O3 C2 H1 106.9 4 4 4 no O3 C2 H1 106.9 4 4 4 no O3 C2 H2 76.4 4 4 4 no O3 C2 H4 79.3 4 4 4 no O3 C2 H5 45.9 4 4 4 no O3 C2 H5 45.9 4 4 4 no O3 C2 H10 143.9 4 4 4 no O3 C2 H10 59.3 4 4 4 no O3 C2 H10 59.3 4 4 4 no O3 C2 O4 146.5(2) 1_565 1_565 1_565 ? O3 C2 O4 79.7(8) 1_565 1_565 1_565 ? O3 C2 O4 33.9(2) 1_565 1_565 1_565 ? O3 C2 N1 60.00(10) 1_565 1_565 1_565 ? O3 C2 N2 63.1(7) 1_565 1_565 1_565 ? O3 C2 N3 125.6(2) 1_565 1_565 1_565 ? O3 C2 N3 18.24(13) 1_565 1_565 1_565 ? O3 C2 C1 57.0(4) 1_565 1_565 1_565 ? O3 C2 C3 86.7(7) 1_565 1_565 1_565 ? O3 C2 C4 71.3(5) 1_565 1_565 1_565 ? O3 C2 C5 76.9(6) 1_565 1_565 1_565 ? O3 C2 C6 118.7(2) 1_565 1_565 1_565 ? O3 C2 H1 102.2 1_565 1_565 1_565 no O3 C2 H1 131.2 1_565 1_565 1_565 no O3 C2 H1 41.8 1_565 1_565 1_565 no O3 C2 H2 84.4 1_565 1_565 1_565 no O3 C2 H4 108.1 1_565 1_565 1_565 no O3 C2 H5 144.9 1_565 1_565 1_565 no O3 C2 H5 98.2 1_565 1_565 1_565 no O3 C2 H10 74.1 1_565 1_565 1_565 no O3 C2 H10 155.0 1_565 1_565 1_565 no O3 C2 H10 60.8 1_565 1_565 1_565 no O4 C2 O4 95.4(10) . . . ? O4 C2 O4 168.7(2) . . . ? O4 C2 N1 87.89(13) . . . ? O4 C2 N2 93.4(9) . . . ? O4 C2 N3 21.30(8) . . . ? O4 C2 N3 153.0(2) . . . ? O4 C2 C1 90.8(6) . . . ? O4 C2 C3 84.4(8) . . . ? O4 C2 C4 85.6(4) . . . ? O4 C2 C5 85.0(6) . . . ? O4 C2 C6 92.53(11) . . . ? O4 C2 H1 84.7 . . . no O4 C2 H1 38.6 . . . no O4 C2 H1 152.6 . . . no O4 C2 H2 84.5 . . . no O4 C2 H4 94.5 . . . no O4 C2 H5 67.7 . . . no O4 C2 H5 115.1 . . . no O4 C2 H10 95.0 . . . no O4 C2 H10 29.5 . . . no O4 C2 H10 142.1 . . . no O4 C2 O4 95.4(10) 4_554 4_554 4_554 ? O4 C2 N1 95.2(2) 4_554 4_554 4_554 ? O4 C2 N2 36.6(2) 4_554 4_554 4_554 ? O4 C2 N3 95.7(9) 4_554 4_554 4_554 ? O4 C2 N3 95.7(9) 4_554 4_554 4_554 ? O4 C2 C1 64.6(2) 4_554 4_554 4_554 ? O4 C2 C3 155.0(3) 4_554 4_554 4_554 ? O4 C2 C4 125.2(2) 4_554 4_554 4_554 ? O4 C2 C5 136.6(2) 4_554 4_554 4_554 ? O4 C2 C6 80.2(3) 4_554 4_554 4_554 ? O4 C2 H1 176.3 4_554 4_554 4_554 no O4 C2 H1 57.7 4_554 4_554 4_554 no O4 C2 H1 57.7 4_554 4_554 4_554 no O4 C2 H2 150.8 4_554 4_554 4_554 no O4 C2 H4 53.5 4_554 4_554 4_554 no O4 C2 H5 92.2 4_554 4_554 4_554 no O4 C2 H5 92.2 4_554 4_554 4_554 no O4 C2 H10 11.0 4_554 4_554 4_554 no O4 C2 H10 120.1 4_554 4_554 4_554 no O4 C2 H10 120.1 4_554 4_554 4_554 no O4 C2 N1 87.89(13) 1_565 1_565 1_565 ? O4 C2 N2 93.4(9) 1_565 1_565 1_565 ? O4 C2 N3 153.0(2) 1_565 1_565 1_565 ? O4 C2 N3 21.30(8) 1_565 1_565 1_565 ? O4 C2 C1 90.8(6) 1_565 1_565 1_565 ? O4 C2 C3 84.4(8) 1_565 1_565 1_565 ? O4 C2 C4 85.6(4) 1_565 1_565 1_565 ? O4 C2 C5 85.0(6) 1_565 1_565 1_565 ? O4 C2 C6 92.53(11) 1_565 1_565 1_565 ? O4 C2 H1 84.7 1_565 1_565 1_565 no O4 C2 H1 152.6 1_565 1_565 1_565 no O4 C2 H1 38.6 1_565 1_565 1_565 no O4 C2 H2 84.5 1_565 1_565 1_565 no O4 C2 H4 94.5 1_565 1_565 1_565 no O4 C2 H5 115.1 1_565 1_565 1_565 no O4 C2 H5 67.7 1_565 1_565 1_565 no O4 C2 H10 95.0 1_565 1_565 1_565 no O4 C2 H10 142.1 1_565 1_565 1_565 no O4 C2 H10 29.5 1_565 1_565 1_565 no N1 C2 N2 58.6(3) . . . ? N1 C2 N3 66.62(13) . . . ? N1 C2 N3 66.62(13) . . . ? N1 C2 C1 30.6(1) . . . ? N1 C2 C3 59.8(3) . . . ? N1 C2 C4 30.0(1) . . . ? N1 C2 C5 41.4(1) . . . ? N1 C2 C6 175.4(4) . . . ? N1 C2 H1 88.5 . . . no N1 C2 H1 98.5 . . . no N1 C2 H1 98.5 . . . no N1 C2 H2 55.6 . . . no N1 C2 H4 148.7 . . . no N1 C2 H5 155.1 . . . no N1 C2 H5 155.1 . . . no N1 C2 H10 84.1 . . . no N1 C2 H10 100.6 . . . no N1 C2 H10 100.6 . . . no N2 C2 N3 81.3(8) . . . ? N2 C2 N3 81.3(8) . . . ? N2 C2 C1 28.0(2) . . . ? N2 C2 C3 118.4(4) . . . ? N2 C2 C4 88.6(3) . . . ? N2 C2 C5 100.0(3) . . . ? N2 C2 C6 116.8(5) . . . ? N2 C2 H1 147.1 . . . no N2 C2 H1 68.3 . . . no N2 C2 H1 68.3 . . . no N2 C2 H2 114.2 . . . no N2 C2 H4 90.1 . . . no N2 C2 H5 125.2 . . . no N2 C2 H5 125.2 . . . no N2 C2 H10 25.6 . . . no N2 C2 H10 122.7 . . . no N2 C2 H10 122.7 . . . no N3 C2 N3 132.6(2) . . . ? N3 C2 C1 72.0(6) . . . ? N3 C2 C3 75.2(8) . . . ? N3 C2 C4 67.9(4) . . . ? N3 C2 C5 70.1(6) . . . ? N3 C2 C6 113.62(10) . . . ? N3 C2 H1 85.7 . . . no N3 C2 H1 47.5 . . . no N3 C2 H1 149.4 . . . no N3 C2 H2 73.9 . . . no N3 C2 H4 111.9 . . . no N3 C2 H5 89.0 . . . no N3 C2 H5 136.2 . . . no N3 C2 H10 91.3 . . . no N3 C2 H10 43.7 . . . no N3 C2 H10 143.4 . . . no N3 C2 C1 72.0(6) 1_565 1_565 1_565 ? N3 C2 C3 75.2(8) 1_565 1_565 1_565 ? N3 C2 C4 67.9(4) 1_565 1_565 1_565 ? N3 C2 C5 70.1(6) 1_565 1_565 1_565 ? N3 C2 C6 113.62(10) 1_565 1_565 1_565 ? N3 C2 H1 85.7 1_565 1_565 1_565 no N3 C2 H1 149.4 1_565 1_565 1_565 no N3 C2 H1 47.5 1_565 1_565 1_565 no N3 C2 H2 73.9 1_565 1_565 1_565 no N3 C2 H4 111.9 1_565 1_565 1_565 no N3 C2 H5 136.2 1_565 1_565 1_565 no N3 C2 H5 89.0 1_565 1_565 1_565 no N3 C2 H10 91.3 1_565 1_565 1_565 no N3 C2 H10 143.4 1_565 1_565 1_565 no N3 C2 H10 43.7 1_565 1_565 1_565 no C1 C2 C3 90.5(3) . . . ? C1 C2 C4 60.6(2) . . . ? C1 C2 C5 72.0(2) . . . ? C1 C2 C6 144.7(4) . . . ? C1 C2 H1 119.1 . . . no C1 C2 H1 82.0 . . . no C1 C2 H1 82.0 . . . no C1 C2 H2 86.2 . . . no C1 C2 H4 118.1 . . . no C1 C2 H5 147.3 . . . no C1 C2 H5 147.3 . . . no C1 C2 H10 53.5 . . . no C1 C2 H10 115.1 . . . no C1 C2 H10 115.1 . . . no C3 C2 C4 29.8(3) . . . ? C3 C2 C5 18.5(3) . . . ? C3 C2 C6 124.8(5) . . . ? C3 C2 H1 28.7 . . . no C3 C2 H1 121.8 . . . no C3 C2 H1 121.8 . . . no C3 C2 H2 4.3 . . . no C3 C2 H4 151.5 . . . no C3 C2 H5 110.5 . . . no C3 C2 H5 110.5 . . . no C3 C2 H10 144.0 . . . no C3 C2 H10 69.0 . . . no C3 C2 H10 69.0 . . . no C4 C2 C5 11.3(2) . . . ? C4 C2 C6 154.6(4) . . . ? C4 C2 H1 58.5 . . . no C4 C2 H1 113.0 . . . no C4 C2 H1 113.0 . . . no C4 C2 H2 25.6 . . . no C4 C2 H4 178.7 . . . no C4 C2 H5 136.4 . . . no C4 C2 H5 136.4 . . . no C4 C2 H10 114.2 . . . no C4 C2 H10 84.2 . . . no C4 C2 H10 84.2 . . . no C5 C2 C6 143.3(4) . . . ? C5 C2 H1 47.1 . . . no C5 C2 H1 117.2 . . . no C5 C2 H1 117.2 . . . no C5 C2 H2 14.2 . . . no C5 C2 H4 169.9 . . . no C5 C2 H5 126.9 . . . no C5 C2 H5 126.9 . . . no C5 C2 H10 125.5 . . . no C5 C2 H10 78.1 . . . no C5 C2 H10 78.1 . . . no C6 C2 H1 96.1 . . . no C6 C2 H1 79.0 . . . no C6 C2 H1 79.0 . . . no C6 C2 H2 129.1 . . . no C6 C2 H4 26.7 . . . no C6 C2 H5 26.6 . . . no C6 C2 H5 26.6 . . . no C6 C2 H10 91.2 . . . no C6 C2 H10 81.9 . . . no C6 C2 H10 81.9 . . . no H1 C2 H1 121.8 . . . no H1 C2 H1 121.8 . . . no H1 C2 H2 32.9 . . . no H1 C2 H4 122.8 . . . no H1 C2 H5 84.4 . . . no H1 C2 H5 84.4 . . . no H1 C2 H10 172.7 . . . no H1 C2 H10 58.9 . . . no H1 C2 H10 58.9 . . . no H1 C2 H1 114.0 4_554 4_554 4_554 no H1 C2 H2 121.1 4_554 4_554 4_554 no H1 C2 H4 66.5 4_554 4_554 4_554 no H1 C2 H5 65.8 4_554 4_554 4_554 no H1 C2 H5 105.5 4_554 4_554 4_554 no H1 C2 H10 59.6 4_554 4_554 4_554 no H1 C2 H10 63.0 4_554 4_554 4_554 no H1 C2 H10 160.8 4_554 4_554 4_554 no H1 C2 H2 121.1 4_564 4_564 4_564 no H1 C2 H4 66.5 4_564 4_564 4_564 no H1 C2 H5 105.5 4_564 4_564 4_564 no H1 C2 H5 65.8 4_564 4_564 4_564 no H1 C2 H10 59.6 4_564 4_564 4_564 no H1 C2 H10 160.8 4_564 4_564 4_564 no H1 C2 H10 63.0 4_564 4_564 4_564 no H2 C2 H4 155.7 . . . no H2 C2 H5 114.4 . . . no H2 C2 H5 114.4 . . . no H2 C2 H10 139.7 . . . no H2 C2 H10 71.0 . . . no H2 C2 H10 71.0 . . . no H4 C2 H5 44.6 . . . no H4 C2 H5 44.6 . . . no H4 C2 H10 64.6 . . . no H4 C2 H10 96.5 . . . no H4 C2 H10 96.5 . . . no H5 C2 H5 47.7 . . . no H5 C2 H10 102.3 . . . no H5 C2 H10 55.5 . . . no H5 C2 H10 96.1 . . . no H5 C2 H10 102.3 7 7 7 no H5 C2 H10 96.1 7 7 7 no H5 C2 H10 55.5 7 7 7 no H10 C2 H10 122.5 . . . no H10 C2 H10 122.5 . . . no H10 C2 H10 112.9 4 4 4 no O2 C3 O2 133.3(2) . . . ? O2 C3 O3 32.1(3) . . . ? O2 C3 O3 110.0(5) . . . ? O2 C3 O3 128.8(3) . . . ? O2 C3 O4 36.89(11) . . . ? O2 C3 O4 99.6(9) . . . ? O2 C3 O4 160.8(2) . . . ? O2 C3 N1 70.6(6) . . . ? O2 C3 N2 91.1(9) . . . ? O2 C3 N3 20.59(9) . . . ? O2 C3 N3 141.8(2) . . . ? O2 C3 C1 79.6(9) . . . ? O2 C3 C2 102.6(8) . . . ? O2 C3 C4 66.69(12) . . . ? O2 C3 C5 69.5(5) . . . ? O2 C3 C6 110.5(5) . . . ? O2 C3 C7 68.5(4) . . . ? O2 C3 H1 101.6 . . . no O2 C3 H2 75.3 . . . no O2 C3 H3 54.0 . . . no O2 C3 H3 83.4 . . . no O2 C3 H4 107.8 . . . no O2 C3 H4 35.1 . . . no O2 C3 H4 136.0 . . . no O2 C3 H5 95.5 . . . no O2 C3 H5 128.9 . . . no O2 C3 H10 94.7 . . . no O2 C3 H10 47.9 . . . no O2 C3 H10 165.5 . . . no O2 C3 O3 128.8(3) 1_565 1_565 1_565 ? O2 C3 O3 110.0(5) 1_565 1_565 1_565 ? O2 C3 O3 32.1(3) 1_565 1_565 1_565 ? O2 C3 O4 160.8(2) 1_565 1_565 1_565 ? O2 C3 O4 99.6(9) 1_565 1_565 1_565 ? O2 C3 O4 36.89(11) 1_565 1_565 1_565 ? O2 C3 N1 70.6(6) 1_565 1_565 1_565 ? O2 C3 N2 91.1(9) 1_565 1_565 1_565 ? O2 C3 N3 141.8(2) 1_565 1_565 1_565 ? O2 C3 N3 20.59(9) 1_565 1_565 1_565 ? O2 C3 C1 79.6(9) 1_565 1_565 1_565 ? O2 C3 C2 102.6(8) 1_565 1_565 1_565 ? O2 C3 C4 66.69(12) 1_565 1_565 1_565 ? O2 C3 C5 69.5(5) 1_565 1_565 1_565 ? O2 C3 C6 110.5(5) 1_565 1_565 1_565 ? O2 C3 C7 68.5(4) 1_565 1_565 1_565 ? O2 C3 H1 101.6 1_565 1_565 1_565 no O2 C3 H2 75.3 1_565 1_565 1_565 no O2 C3 H3 83.4 1_565 1_565 1_565 no O2 C3 H3 54.0 1_565 1_565 1_565 no O2 C3 H4 107.8 1_565 1_565 1_565 no O2 C3 H4 136.0 1_565 1_565 1_565 no O2 C3 H4 35.1 1_565 1_565 1_565 no O2 C3 H5 128.9 1_565 1_565 1_565 no O2 C3 H5 95.5 1_565 1_565 1_565 no O2 C3 H10 94.7 1_565 1_565 1_565 no O2 C3 H10 165.5 1_565 1_565 1_565 no O2 C3 H10 47.9 1_565 1_565 1_565 no O3 C3 O3 120.5(3) . . . ? O3 C3 O3 106.7(2) . . . ? O3 C3 O4 32.3(3) . . . ? O3 C3 O4 126.6(6) . . . ? O3 C3 O4 132.8(3) . . . ? O3 C3 N1 58.6(3) . . . ? O3 C3 N2 59.1(7) . . . ? O3 C3 N3 16.5(2) . . . ? O3 C3 N3 123.1(3) . . . ? O3 C3 C1 53.4(6) . . . ? O3 C3 C2 73.3(6) . . . ? O3 C3 C4 72.2(2) . . . ? O3 C3 C5 90.1(4) . . . ? O3 C3 C6 90.0(4) . . . ? O3 C3 C7 62.8(2) . . . ? O3 C3 H1 126.6 . . . no O3 C3 H2 103.0 . . . no O3 C3 H3 75.5 . . . no O3 C3 H3 99.3 . . . no O3 C3 H4 83.0 . . . no O3 C3 H4 64.8 . . . no O3 C3 H4 156.6 . . . no O3 C3 H5 82.6 . . . no O3 C3 H5 109.7 . . . no O3 C3 H10 62.6 . . . no O3 C3 H10 61.4 . . . no O3 C3 H10 162.3 . . . no O3 C3 O3 120.5(3) 4 4 4 ? O3 C3 O4 88.3(5) 4 4 4 ? O3 C3 O4 34.49(10) 4 4 4 ? O3 C3 O4 88.3(5) 4 4 4 ? O3 C3 N1 177.4(2) 4 4 4 ? O3 C3 N2 117.8(2) 4 4 4 ? O3 C3 N3 108.1(4) 4 4 4 ? O3 C3 N3 108.1(4) 4 4 4 ? O3 C3 C1 147.5(2) 4 4 4 ? O3 C3 C2 87.1(3) 4 4 4 ? O3 C3 C4 152.5(4) 4 4 4 ? O3 C3 C5 121.5(2) 4 4 4 ? O3 C3 C6 58.3(2) 4 4 4 ? O3 C3 C7 171.7(2) 4 4 4 ? O3 C3 H1 28.9 4 4 4 no O3 C3 H2 99.5 4 4 4 no O3 C3 H3 124.7 4 4 4 no O3 C3 H3 124.7 4 4 4 no O3 C3 H4 70.0 4 4 4 no O3 C3 H4 80.6 4 4 4 no O3 C3 H4 80.6 4 4 4 no O3 C3 H5 50.0 4 4 4 no O3 C3 H5 50.0 4 4 4 no O3 C3 H10 108.7 4 4 4 no O3 C3 H10 63.2 4 4 4 no O3 C3 H10 63.2 4 4 4 no O3 C3 O4 132.8(3) 1_565 1_565 1_565 ? O3 C3 O4 126.6(6) 1_565 1_565 1_565 ? O3 C3 O4 32.3(3) 1_565 1_565 1_565 ? O3 C3 N1 58.6(3) 1_565 1_565 1_565 ? O3 C3 N2 59.1(7) 1_565 1_565 1_565 ? O3 C3 N3 123.1(3) 1_565 1_565 1_565 ? O3 C3 N3 16.5(2) 1_565 1_565 1_565 ? O3 C3 C1 53.4(6) 1_565 1_565 1_565 ? O3 C3 C2 73.3(6) 1_565 1_565 1_565 ? O3 C3 C4 72.2(2) 1_565 1_565 1_565 ? O3 C3 C5 90.1(4) 1_565 1_565 1_565 ? O3 C3 C6 90.0(4) 1_565 1_565 1_565 ? O3 C3 C7 62.8(2) 1_565 1_565 1_565 ? O3 C3 H1 126.6 1_565 1_565 1_565 no O3 C3 H2 103.0 1_565 1_565 1_565 no O3 C3 H3 99.3 1_565 1_565 1_565 no O3 C3 H3 75.5 1_565 1_565 1_565 no O3 C3 H4 83.0 1_565 1_565 1_565 no O3 C3 H4 156.6 1_565 1_565 1_565 no O3 C3 H4 64.8 1_565 1_565 1_565 no O3 C3 H5 109.7 1_565 1_565 1_565 no O3 C3 H5 82.6 1_565 1_565 1_565 no O3 C3 H10 62.6 1_565 1_565 1_565 no O3 C3 H10 162.3 1_565 1_565 1_565 no O3 C3 H10 61.4 1_565 1_565 1_565 no O4 C3 O4 98.8(9) . . . ? O4 C3 O4 143.6(2) . . . ? O4 C3 N1 90.9(6) . . . ? O4 C3 N2 74.8(9) . . . ? O4 C3 N3 21.58(13) . . . ? O4 C3 N3 148.4(2) . . . ? O4 C3 C1 81.8(8) . . . ? O4 C3 C2 71.8(8) . . . ? O4 C3 C4 99.8(2) . . . ? O4 C3 C5 106.3(4) . . . ? O4 C3 C6 73.8(4) . . . ? O4 C3 C7 94.2(4) . . . ? O4 C3 H1 97.2 . . . no O4 C3 H2 108.1 . . . no O4 C3 H3 90.9 . . . no O4 C3 H3 120.2 . . . no O4 C3 H4 72.4 . . . no O4 C3 H4 50.4 . . . no O4 C3 H4 162.3 . . . no O4 C3 H5 59.0 . . . no O4 C3 H5 92.1 . . . no O4 C3 H10 73.4 . . . no O4 C3 H10 31.5 . . . no O4 C3 H10 147.4 . . . no O4 C3 O4 98.8(9) 4 4 4 ? O4 C3 N1 148.1(2) 4 4 4 ? O4 C3 N2 152.3(2) 4 4 4 ? O4 C3 N3 110.1(8) 4 4 4 ? O4 C3 N3 110.1(8) 4 4 4 ? O4 C3 C1 178.0(2) 4 4 4 ? O4 C3 C2 121.6(3) 4 4 4 ? O4 C3 C4 118.0(4) 4 4 4 ? O4 C3 C5 87.0(2) 4 4 4 ? O4 C3 C6 92.8(2) 4 4 4 ? O4 C3 C7 137.2(2) 4 4 4 ? O4 C3 H1 5.6 4 4 4 no O4 C3 H2 65.0 4 4 4 no O4 C3 H3 91.6 4 4 4 no O4 C3 H3 91.6 4 4 4 no O4 C3 H4 104.5 4 4 4 no O4 C3 H4 64.5 4 4 4 no O4 C3 H4 64.5 4 4 4 no O4 C3 H5 82.6 4 4 4 no O4 C3 H5 82.6 4 4 4 no O4 C3 H10 143.2 4 4 4 no O4 C3 H10 67.3 4 4 4 no O4 C3 H10 67.3 4 4 4 no O4 C3 N1 90.9(6) 1_565 1_565 1_565 ? O4 C3 N2 74.8(9) 1_565 1_565 1_565 ? O4 C3 N3 148.4(2) 1_565 1_565 1_565 ? O4 C3 N3 21.58(13) 1_565 1_565 1_565 ? O4 C3 C1 81.8(8) 1_565 1_565 1_565 ? O4 C3 C2 71.8(8) 1_565 1_565 1_565 ? O4 C3 C4 99.8(2) 1_565 1_565 1_565 ? O4 C3 C5 106.3(4) 1_565 1_565 1_565 ? O4 C3 C6 73.8(4) 1_565 1_565 1_565 ? O4 C3 C7 94.2(4) 1_565 1_565 1_565 ? O4 C3 H1 97.2 1_565 1_565 1_565 no O4 C3 H2 108.1 1_565 1_565 1_565 no O4 C3 H3 120.2 1_565 1_565 1_565 no O4 C3 H3 90.9 1_565 1_565 1_565 no O4 C3 H4 72.4 1_565 1_565 1_565 no O4 C3 H4 162.3 1_565 1_565 1_565 no O4 C3 H4 50.4 1_565 1_565 1_565 no O4 C3 H5 92.1 1_565 1_565 1_565 no O4 C3 H5 59.0 1_565 1_565 1_565 no O4 C3 H10 73.4 1_565 1_565 1_565 no O4 C3 H10 147.4 1_565 1_565 1_565 no O4 C3 H10 31.5 1_565 1_565 1_565 no N1 C3 N2 59.6(2) . . . ? N1 C3 N3 71.5(5) . . . ? N1 C3 N3 71.5(5) . . . ? N1 C3 C1 29.9(1) . . . ? N1 C3 C2 90.3(3) . . . ? N1 C3 C4 30.1(3) . . . ? N1 C3 C5 61.1(2) . . . ? N1 C3 C6 119.1(3) . . . ? N1 C3 C7 10.92(13) . . . ? N1 C3 H1 153.7 . . . no N1 C3 H2 83.1 . . . no N1 C3 H3 57.7 . . . no N1 C3 H3 57.7 . . . no N1 C3 H4 107.4 . . . no N1 C3 H4 100.7 . . . no N1 C3 H4 100.7 . . . no N1 C3 H5 127.6 . . . no N1 C3 H5 127.6 . . . no N1 C3 H10 68.7 . . . no N1 C3 H10 116.8 . . . no N1 C3 H10 116.8 . . . no N2 C3 N3 73.6(9) . . . ? N2 C3 N3 73.6(9) . . . ? N2 C3 C1 29.7(1) . . . ? N2 C3 C2 30.7(2) . . . ? N2 C3 C4 89.7(4) . . . ? N2 C3 C5 120.7(3) . . . ? N2 C3 C6 59.5(2) . . . ? N2 C3 C7 70.6(2) . . . ? N2 C3 H1 146.7 . . . no N2 C3 H2 142.7 . . . no N2 C3 H3 115.2 . . . no N2 C3 H3 115.2 . . . no N2 C3 H4 47.7 . . . no N2 C3 H4 122.5 . . . no N2 C3 H4 122.5 . . . no N2 C3 H5 70.9 . . . no N2 C3 H5 70.9 . . . no N2 C3 H10 9.1 . . . no N2 C3 H10 103.4 . . . no N2 C3 H10 103.4 . . . no N3 C3 N3 139.4(2) . . . ? N3 C3 C1 69.8(8) . . . ? N3 C3 C2 82.0(8) . . . ? N3 C3 C4 78.2(1) . . . ? N3 C3 C5 88.2(5) . . . ? N3 C3 C6 91.8(5) . . . ? N3 C3 C7 73.4(3) . . . ? N3 C3 H1 110.3 . . . no N3 C3 H2 95.8 . . . no N3 C3 H3 72.7 . . . no N3 C3 H3 100.6 . . . no N3 C3 H4 87.8 . . . no N3 C3 H4 49.2 . . . no N3 C3 H4 156.4 . . . no N3 C3 H5 79.5 . . . no N3 C3 H5 111.2 . . . no N3 C3 H10 75.8 . . . no N3 C3 H10 46.1 . . . no N3 C3 H10 168.8 . . . no N3 C3 C1 69.8(8) 1_565 1_565 1_565 ? N3 C3 C2 82.0(8) 1_565 1_565 1_565 ? N3 C3 C4 78.2(1) 1_565 1_565 1_565 ? N3 C3 C5 88.2(5) 1_565 1_565 1_565 ? N3 C3 C6 91.8(5) 1_565 1_565 1_565 ? N3 C3 C7 73.4(3) 1_565 1_565 1_565 ? N3 C3 H1 110.3 1_565 1_565 1_565 no N3 C3 H2 95.8 1_565 1_565 1_565 no N3 C3 H3 100.6 1_565 1_565 1_565 no N3 C3 H3 72.7 1_565 1_565 1_565 no N3 C3 H4 87.8 1_565 1_565 1_565 no N3 C3 H4 156.4 1_565 1_565 1_565 no N3 C3 H4 49.2 1_565 1_565 1_565 no N3 C3 H5 111.2 1_565 1_565 1_565 no N3 C3 H5 79.5 1_565 1_565 1_565 no N3 C3 H10 75.8 1_565 1_565 1_565 no N3 C3 H10 168.8 1_565 1_565 1_565 no N3 C3 H10 46.1 1_565 1_565 1_565 no C1 C3 C2 60.4(3) . . . ? C1 C3 C4 60.0(3) . . . ? C1 C3 C5 91.0(2) . . . ? C1 C3 C6 89.2(2) . . . ? C1 C3 C7 40.9(1) . . . ? C1 C3 H1 176.4 . . . no C1 C3 H2 113.1 . . . no C1 C3 H3 86.5 . . . no C1 C3 H3 86.5 . . . no C1 C3 H4 77.4 . . . no C1 C3 H4 114.7 . . . no C1 C3 H4 114.7 . . . no C1 C3 H5 99.2 . . . no C1 C3 H5 99.2 . . . no C1 C3 H10 38.8 . . . no C1 C3 H10 113.2 . . . no C1 C3 H10 113.2 . . . no C2 C3 C4 120.4(5) . . . ? C2 C3 C5 151.4(4) . . . ? C2 C3 C6 28.8(3) . . . ? C2 C3 C7 101.2(3) . . . ? C2 C3 H1 116.0 . . . no C2 C3 H2 173.4 . . . no C2 C3 H3 144.0 . . . no C2 C3 H3 144.0 . . . no C2 C3 H4 17.1 . . . no C2 C3 H4 120.9 . . . no C2 C3 H4 120.9 . . . no C2 C3 H5 42.2 . . . no C2 C3 H5 42.2 . . . no C2 C3 H10 21.6 . . . no C2 C3 H10 90.2 . . . no C2 C3 H10 90.2 . . . no C4 C3 C5 31.0(3) . . . ? C4 C3 C6 149.2(4) . . . ? C4 C3 C7 19.2(3) . . . ? C4 C3 H1 123.6 . . . no C4 C3 H2 53.0 . . . no C4 C3 H3 30.0 . . . no C4 C3 H3 30.0 . . . no C4 C3 H4 137.5 . . . no C4 C3 H4 84.4 . . . no C4 C3 H4 84.4 . . . no C4 C3 H5 153.9 . . . no C4 C3 H5 153.9 . . . no C4 C3 H10 98.8 . . . no C4 C3 H10 112.8 . . . no C4 C3 H10 112.8 . . . no C5 C3 C6 179.8(3) . . . ? C5 C3 C7 50.2(2) . . . ? C5 C3 H1 92.6 . . . no C5 C3 H2 22.0 . . . no C5 C3 H3 15.6 . . . no C5 C3 H3 15.6 . . . no C5 C3 H4 168.5 . . . no C5 C3 H4 68.9 . . . no C5 C3 H4 68.9 . . . no C5 C3 H5 160.1 . . . no C5 C3 H5 160.1 . . . no C5 C3 H10 129.9 . . . no C5 C3 H10 102.3 . . . no C5 C3 H10 102.3 . . . no C6 C3 C7 130.0(2) . . . ? C6 C3 H1 87.2 . . . no C6 C3 H2 157.8 . . . no C6 C3 H3 164.5 . . . no C6 C3 H3 164.5 . . . no C6 C3 H4 11.7 . . . no C6 C3 H4 111.0 . . . no C6 C3 H4 111.0 . . . no C6 C3 H5 19.8 . . . no C6 C3 H5 19.8 . . . no C6 C3 H10 50.4 . . . no C6 C3 H10 77.6 . . . no C6 C3 H10 77.6 . . . no C7 C3 H1 142.8 . . . no C7 C3 H2 72.2 . . . no C7 C3 H3 47.4 . . . no C7 C3 H3 47.4 . . . no C7 C3 H4 118.3 . . . no C7 C3 H4 94.9 . . . no C7 C3 H4 94.9 . . . no C7 C3 H5 137.6 . . . no C7 C3 H5 137.6 . . . no C7 C3 H10 79.7 . . . no C7 C3 H10 116.2 . . . no C7 C3 H10 116.2 . . . no H1 C3 H2 70.6 . . . no H1 C3 H3 97.0 . . . no H1 C3 H3 97.0 . . . no H1 C3 H4 98.9 . . . no H1 C3 H4 66.7 . . . no H1 C3 H4 66.7 . . . no H1 C3 H5 77.3 . . . no H1 C3 H5 77.3 . . . no H1 C3 H10 137.6 . . . no H1 C3 H10 66.0 . . . no H1 C3 H10 66.0 . . . no H2 C3 H3 30.2 . . . no H2 C3 H3 30.2 . . . no H2 C3 H4 169.5 . . . no H2 C3 H4 60.8 . . . no H2 C3 H4 60.8 . . . no H2 C3 H5 143.6 . . . no H2 C3 H5 143.6 . . . no H2 C3 H10 151.9 . . . no H2 C3 H10 92.8 . . . no H2 C3 H10 92.8 . . . no H3 C3 H3 29.8 . . . no H3 C3 H4 158.2 . . . no H3 C3 H4 58.0 . . . no H3 C3 H4 84.3 . . . no H3 C3 H5 147.7 . . . no H3 C3 H5 173.8 . . . no H3 C3 H10 123.9 . . . no H3 C3 H10 90.4 . . . no H3 C3 H10 117.8 . . . no H3 C3 H4 158.2 7 7 7 no H3 C3 H4 84.3 7 7 7 no H3 C3 H4 58.0 7 7 7 no H3 C3 H5 173.8 7 7 7 no H3 C3 H5 147.7 7 7 7 no H3 C3 H10 123.9 7 7 7 no H3 C3 H10 117.8 7 7 7 no H3 C3 H10 90.4 7 7 7 no H4 C3 H4 115.8 . . . no H4 C3 H4 115.8 . . . no H4 C3 H5 27.6 . . . no H4 C3 H5 27.6 . . . no H4 C3 H10 38.6 . . . no H4 C3 H10 82.5 . . . no H4 C3 H10 82.5 . . . no H4 C3 H4 113.7 4 4 4 no H4 C3 H5 91.3 4 4 4 no H4 C3 H5 120.5 4 4 4 no H4 C3 H10 123.2 4 4 4 no H4 C3 H10 33.5 4 4 4 no H4 C3 H10 131.3 4 4 4 no H4 C3 H5 120.5 4_565 4_565 4_565 no H4 C3 H5 91.3 4_565 4_565 4_565 no H4 C3 H10 123.2 4_565 4_565 4_565 no H4 C3 H10 131.3 4_565 4_565 4_565 no H4 C3 H10 33.5 4_565 4_565 4_565 no H5 C3 H5 33.7 . . . no H5 C3 H10 62.2 . . . no H5 C3 H10 58.0 . . . no H5 C3 H10 89.3 . . . no H5 C3 H10 62.2 7 7 7 no H5 C3 H10 89.3 7 7 7 no H5 C3 H10 58.0 7 7 7 no H10 C3 H10 99.7 . . . no H10 C3 H10 99.7 . . . no H10 C3 H10 126.4 4 4 4 no O1 C4 O2 91.2(10) . . . ? O1 C4 O2 91.2(10) . . . ? O1 C4 O3 58.5(7) . . . ? O1 C4 O3 58.5(7) . . . ? O1 C4 O4 82.3(8) . . . ? O1 C4 O4 82.3(8) . . . ? O1 C4 N1 19.4(2) . . . ? O1 C4 N2 40.62(13) . . . ? O1 C4 N3 76.1(9) . . . ? O1 C4 N3 76.1(9) . . . ? O1 C4 C1 9.7(1) . . . ? O1 C4 C2 70.7(2) . . . ? O1 C4 C3 100.5(3) . . . ? O1 C4 C5 139.1(4) . . . ? O1 C4 C6 80.4(2) . . . ? O1 C4 C7 49.8(2) . . . ? O1 C4 C8 58.4(4) . . . ? O1 C4 C8 58.4(4) . . . ? O1 C4 H1 125.9 . . . no O1 C4 H2 165.6 . . . no O1 C4 H3 121.9 . . . no O1 C4 H3 121.9 . . . no O1 C4 H4 124.1 . . . no O1 C4 H4 124.1 . . . no O1 C4 H6 60.7 . . . no O1 C4 H6 60.7 . . . no O1 C4 H10 40.9 . . . no O2 C4 O2 177.4(2) . . . ? O2 C4 O3 33.9(3) . . . ? O2 C4 O3 148.6(3) . . . ? O2 C4 O4 34.4(1) . . . ? O2 C4 O4 147.1(2) . . . ? O2 C4 N1 91.0(9) . . . ? O2 C4 N2 91.2(8) . . . ? O2 C4 N3 21.25(12) . . . ? O2 C4 N3 161.1(2) . . . ? O2 C4 C1 91.3(10) . . . ? O2 C4 C2 90.9(5) . . . ? O2 C4 C3 90.3(1) . . . ? O2 C4 C5 88.8(8) . . . ? O2 C4 C6 90.7(3) . . . ? O2 C4 C7 90.4(6) . . . ? O2 C4 C8 69.5(4) . . . ? O2 C4 C8 111.0(4) . . . ? O2 C4 H1 89.7 . . . no O2 C4 H2 88.7 . . . no O2 C4 H3 65.8 . . . no O2 C4 H3 112.1 . . . no O2 C4 H4 34.5 . . . no O2 C4 H4 143.4 . . . no O2 C4 H6 53.3 . . . no O2 C4 H6 127.4 . . . no O2 C4 H10 91.2 . . . no O2 C4 O3 148.6(3) 1_565 1_565 1_565 ? O2 C4 O3 33.9(3) 1_565 1_565 1_565 ? O2 C4 O4 147.1(2) 1_565 1_565 1_565 ? O2 C4 O4 34.4(1) 1_565 1_565 1_565 ? O2 C4 N1 91.0(9) 1_565 1_565 1_565 ? O2 C4 N2 91.2(8) 1_565 1_565 1_565 ? O2 C4 N3 161.1(2) 1_565 1_565 1_565 ? O2 C4 N3 21.25(12) 1_565 1_565 1_565 ? O2 C4 C1 91.3(10) 1_565 1_565 1_565 ? O2 C4 C2 90.9(5) 1_565 1_565 1_565 ? O2 C4 C3 90.3(1) 1_565 1_565 1_565 ? O2 C4 C5 88.8(8) 1_565 1_565 1_565 ? O2 C4 C6 90.7(3) 1_565 1_565 1_565 ? O2 C4 C7 90.4(6) 1_565 1_565 1_565 ? O2 C4 C8 111.0(4) 1_565 1_565 1_565 ? O2 C4 C8 69.5(4) 1_565 1_565 1_565 ? O2 C4 H1 89.7 1_565 1_565 1_565 no O2 C4 H2 88.7 1_565 1_565 1_565 no O2 C4 H3 112.1 1_565 1_565 1_565 no O2 C4 H3 65.8 1_565 1_565 1_565 no O2 C4 H4 143.4 1_565 1_565 1_565 no O2 C4 H4 34.5 1_565 1_565 1_565 no O2 C4 H6 127.4 1_565 1_565 1_565 no O2 C4 H6 53.3 1_565 1_565 1_565 no O2 C4 H10 91.2 1_565 1_565 1_565 no O3 C4 O3 114.7(2) . . . ? O3 C4 O4 32.4(2) . . . ? O3 C4 O4 123.9(2) . . . ? O3 C4 N1 63.4(6) . . . ? O3 C4 N2 61.0(6) . . . ? O3 C4 N3 18.2(2) . . . ? O3 C4 N3 129.2(3) . . . ? O3 C4 C1 57.5(7) . . . ? O3 C4 C2 72.5(3) . . . ? O3 C4 C3 87.8(2) . . . ? O3 C4 C5 118.9(6) . . . ? O3 C4 C6 77.3(2) . . . ? O3 C4 C7 76.5(4) . . . ? O3 C4 C8 62.2(3) . . . ? O3 C4 C8 97.4(3) . . . ? O3 C4 H1 101.3 . . . no O3 C4 H2 122.6 . . . no O3 C4 H3 92.7 . . . no O3 C4 H3 135.2 . . . no O3 C4 H4 65.6 . . . no O3 C4 H4 163.1 . . . no O3 C4 H6 47.4 . . . no O3 C4 H6 109.7 . . . no O3 C4 H10 61.1 . . . no O3 C4 O4 123.9(2) 1_565 1_565 1_565 ? O3 C4 O4 32.4(2) 1_565 1_565 1_565 ? O3 C4 N1 63.4(6) 1_565 1_565 1_565 ? O3 C4 N2 61.0(6) 1_565 1_565 1_565 ? O3 C4 N3 129.2(3) 1_565 1_565 1_565 ? O3 C4 N3 18.2(2) 1_565 1_565 1_565 ? O3 C4 C1 57.5(7) 1_565 1_565 1_565 ? O3 C4 C2 72.5(3) 1_565 1_565 1_565 ? O3 C4 C3 87.8(2) 1_565 1_565 1_565 ? O3 C4 C5 118.9(6) 1_565 1_565 1_565 ? O3 C4 C6 77.3(2) 1_565 1_565 1_565 ? O3 C4 C7 76.5(4) 1_565 1_565 1_565 ? O3 C4 C8 97.4(3) 1_565 1_565 1_565 ? O3 C4 C8 62.2(3) 1_565 1_565 1_565 ? O3 C4 H1 101.3 1_565 1_565 1_565 no O3 C4 H2 122.6 1_565 1_565 1_565 no O3 C4 H3 135.2 1_565 1_565 1_565 no O3 C4 H3 92.7 1_565 1_565 1_565 no O3 C4 H4 163.1 1_565 1_565 1_565 no O3 C4 H4 65.6 1_565 1_565 1_565 no O3 C4 H6 109.7 1_565 1_565 1_565 no O3 C4 H6 47.4 1_565 1_565 1_565 no O3 C4 H10 61.1 1_565 1_565 1_565 no O4 C4 O4 112.8(2) . . . ? O4 C4 N1 93.0(8) . . . ? O4 C4 N2 63.1(7) . . . ? O4 C4 N3 18.98(9) . . . ? O4 C4 N3 128.2(2) . . . ? O4 C4 C1 77.1(8) . . . ? O4 C4 C2 56.5(3) . . . ? O4 C4 C3 59.8(2) . . . ? O4 C4 C5 116.9(7) . . . ? O4 C4 C6 56.5(2) . . . ? O4 C4 C7 108.9(6) . . . ? O4 C4 C8 92.9(5) . . . ? O4 C4 C8 129.8(4) . . . ? O4 C4 H1 69.1 . . . no O4 C4 H2 105.3 . . . no O4 C4 H3 98.5 . . . no O4 C4 H3 143.4 . . . no O4 C4 H4 46.8 . . . no O4 C4 H4 132.1 . . . no O4 C4 H6 76.8 . . . no O4 C4 H6 140.8 . . . no O4 C4 H10 63.1 . . . no O4 C4 N1 93.0(8) 1_565 1_565 1_565 ? O4 C4 N2 63.1(7) 1_565 1_565 1_565 ? O4 C4 N3 128.2(2) 1_565 1_565 1_565 ? O4 C4 N3 18.98(9) 1_565 1_565 1_565 ? O4 C4 C1 77.1(8) 1_565 1_565 1_565 ? O4 C4 C2 56.5(3) 1_565 1_565 1_565 ? O4 C4 C3 59.8(2) 1_565 1_565 1_565 ? O4 C4 C5 116.9(7) 1_565 1_565 1_565 ? O4 C4 C6 56.5(2) 1_565 1_565 1_565 ? O4 C4 C7 108.9(6) 1_565 1_565 1_565 ? O4 C4 C8 129.8(4) 1_565 1_565 1_565 ? O4 C4 C8 92.9(5) 1_565 1_565 1_565 ? O4 C4 H1 69.1 1_565 1_565 1_565 no O4 C4 H2 105.3 1_565 1_565 1_565 no O4 C4 H3 143.4 1_565 1_565 1_565 no O4 C4 H3 98.5 1_565 1_565 1_565 no O4 C4 H4 132.1 1_565 1_565 1_565 no O4 C4 H4 46.8 1_565 1_565 1_565 no O4 C4 H6 140.8 1_565 1_565 1_565 no O4 C4 H6 76.8 1_565 1_565 1_565 no O4 C4 H10 63.1 1_565 1_565 1_565 no N1 C4 N2 60.1(3) . . . ? N1 C4 N3 81.6(8) . . . ? N1 C4 N3 81.6(8) . . . ? N1 C4 C1 29.2(2) . . . ? N1 C4 C2 90.2(3) . . . ? N1 C4 C3 119.9(5) . . . ? N1 C4 C5 119.7(5) . . . ? N1 C4 C6 99.9(3) . . . ? N1 C4 C7 30.4(2) . . . ? N1 C4 C8 41.2(4) . . . ? N1 C4 C8 41.2(4) . . . ? N1 C4 H1 145.3 . . . no N1 C4 H2 146.1 . . . no N1 C4 H3 104.4 . . . no N1 C4 H3 104.4 . . . no N1 C4 H4 125.4 . . . no N1 C4 H4 125.4 . . . no N1 C4 H6 47.8 . . . no N1 C4 H6 47.8 . . . no N1 C4 H10 60.3 . . . no N2 C4 N3 70.0(7) . . . ? N2 C4 N3 70.0(7) . . . ? N2 C4 C1 30.9(1) . . . ? N2 C4 C2 30.1(2) . . . ? N2 C4 C3 59.9(3) . . . ? N2 C4 C5 179.7(4) . . . ? N2 C4 C6 39.8(1) . . . ? N2 C4 C7 90.4(2) . . . ? N2 C4 C8 96.1(4) . . . ? N2 C4 C8 96.1(4) . . . ? N2 C4 H1 85.2 . . . no N2 C4 H2 153.8 . . . no N2 C4 H3 153.0 . . . no N2 C4 H3 153.0 . . . no N2 C4 H4 109.0 . . . no N2 C4 H4 109.0 . . . no N2 C4 H6 92.2 . . . no N2 C4 H6 92.2 . . . no N2 C4 H10 0.2 . . . no N3 C4 N3 139.9(2) . . . ? N3 C4 C1 73.8(9) . . . ? N3 C4 C2 72.0(4) . . . ? N3 C4 C3 78.7(2) . . . ? N3 C4 C5 110.0(7) . . . ? N3 C4 C6 73.7(2) . . . ? N3 C4 C7 91.8(6) . . . ? N3 C4 C8 74.3(4) . . . ? N3 C4 C8 113.3(4) . . . ? N3 C4 H1 86.8 . . . no N3 C4 H2 107.1 . . . no N3 C4 H3 86.6 . . . no N3 C4 H3 132.9 . . . no N3 C4 H4 48.2 . . . no N3 C4 H4 149.5 . . . no N3 C4 H6 58.0 . . . no N3 C4 H6 127.0 . . . no N3 C4 H10 70.0 . . . no N3 C4 C1 73.8(9) 1_565 1_565 1_565 ? N3 C4 C2 72.0(4) 1_565 1_565 1_565 ? N3 C4 C3 78.7(2) 1_565 1_565 1_565 ? N3 C4 C5 110.0(7) 1_565 1_565 1_565 ? N3 C4 C6 73.7(2) 1_565 1_565 1_565 ? N3 C4 C7 91.8(6) 1_565 1_565 1_565 ? N3 C4 C8 113.3(4) 1_565 1_565 1_565 ? N3 C4 C8 74.3(4) 1_565 1_565 1_565 ? N3 C4 H1 86.8 1_565 1_565 1_565 no N3 C4 H2 107.1 1_565 1_565 1_565 no N3 C4 H3 132.9 1_565 1_565 1_565 no N3 C4 H3 86.6 1_565 1_565 1_565 no N3 C4 H4 149.5 1_565 1_565 1_565 no N3 C4 H4 48.2 1_565 1_565 1_565 no N3 C4 H6 127.0 1_565 1_565 1_565 no N3 C4 H6 58.0 1_565 1_565 1_565 no N3 C4 H10 70.0 1_565 1_565 1_565 no C1 C4 C2 61.0(2) . . . ? C1 C4 C3 90.8(4) . . . ? C1 C4 C5 148.9(4) . . . ? C1 C4 C6 70.7(2) . . . ? C1 C4 C7 59.6(2) . . . ? C1 C4 C8 67.3(4) . . . ? C1 C4 C8 67.3(4) . . . ? C1 C4 H1 116.1 . . . no C1 C4 H2 175.3 . . . no C1 C4 H3 130.4 . . . no C1 C4 H3 130.4 . . . no C1 C4 H4 121.8 . . . no C1 C4 H4 121.8 . . . no C1 C4 H6 67.9 . . . no C1 C4 H6 67.9 . . . no C1 C4 H10 31.1 . . . no C2 C4 C3 29.8(3) . . . ? C2 C4 C5 150.2(4) . . . ? C2 C4 C6 9.7(2) . . . ? C2 C4 C7 120.5(3) . . . ? C2 C4 C8 123.9(4) . . . ? C2 C4 C8 123.9(4) . . . ? C2 C4 H1 55.1 . . . no C2 C4 H2 123.7 . . . no C2 C4 H3 152.2 . . . no C2 C4 H3 152.2 . . . no C2 C4 H4 92.3 . . . no C2 C4 H4 92.3 . . . no C2 C4 H6 115.7 . . . no C2 C4 H6 115.7 . . . no C2 C4 H10 29.9 . . . no C3 C4 C5 120.4(5) . . . ? C3 C4 C6 20.1(3) . . . ? C3 C4 C7 150.3(4) . . . ? C3 C4 C8 149.0(4) . . . ? C3 C4 C8 149.0(4) . . . ? C3 C4 H1 25.4 . . . no C3 C4 H2 93.9 . . . no C3 C4 H3 130.0 . . . no C3 C4 H3 130.0 . . . no C3 C4 H4 75.3 . . . no C3 C4 H4 75.3 . . . no C3 C4 H6 135.1 . . . no C3 C4 H6 135.1 . . . no C3 C4 H10 59.6 . . . no C5 C4 C6 140.4(4) . . . ? C5 C4 C7 89.3(3) . . . ? C5 C4 C8 83.7(4) . . . ? C5 C4 C8 83.7(4) . . . ? C5 C4 H1 95.0 . . . no C5 C4 H2 26.4 . . . no C5 C4 H3 26.9 . . . no C5 C4 H3 26.9 . . . no C5 C4 H4 71.1 . . . no C5 C4 H4 71.1 . . . no C5 C4 H6 87.6 . . . no C5 C4 H6 87.6 . . . no C5 C4 H10 180.0 . . . no C6 C4 C7 130.2(2) . . . ? C6 C4 C8 132.5(3) . . . ? C6 C4 C8 132.5(3) . . . ? C6 C4 H1 45.4 . . . no C6 C4 H2 114.0 . . . no C6 C4 H3 146.0 . . . no C6 C4 H3 146.0 . . . no C6 C4 H4 86.7 . . . no C6 C4 H4 86.7 . . . no C6 C4 H6 122.7 . . . no C6 C4 H6 122.7 . . . no C6 C4 H10 39.6 . . . no C7 C4 C8 21.6(2) . . . ? C7 C4 C8 21.6(2) . . . ? C7 C4 H1 175.7 . . . no C7 C4 H2 115.7 . . . no C7 C4 H3 76.5 . . . no C7 C4 H3 76.5 . . . no C7 C4 H4 118.6 . . . no C7 C4 H4 118.6 . . . no C7 C4 H6 37.1 . . . no C7 C4 H6 37.1 . . . no C7 C4 H10 90.7 . . . no C8 C4 C8 41.5(2) . . . ? C8 C4 H1 159.2 . . . no C8 C4 H2 108.4 . . . no C8 C4 H3 63.6 . . . no C8 C4 H3 80.5 . . . no C8 C4 H4 97.2 . . . no C8 C4 H4 134.5 . . . no C8 C4 H6 16.6 . . . no C8 C4 H6 57.9 . . . no C8 C4 H10 96.3 . . . no C8 C4 H1 159.2 7 7 7 no C8 C4 H2 108.4 7 7 7 no C8 C4 H3 80.5 7 7 7 no C8 C4 H3 63.6 7 7 7 no C8 C4 H4 134.5 7 7 7 no C8 C4 H4 97.2 7 7 7 no C8 C4 H6 57.9 7 7 7 no C8 C4 H6 16.6 7 7 7 no C8 C4 H10 96.3 7 7 7 no H1 C4 H2 68.6 . . . no H1 C4 H3 107.4 . . . no H1 C4 H3 107.4 . . . no H1 C4 H4 63.1 . . . no H1 C4 H4 63.1 . . . no H1 C4 H6 142.9 . . . no H1 C4 H6 142.9 . . . no H1 C4 H10 85.0 . . . no H2 C4 H3 45.6 . . . no H2 C4 H3 45.6 . . . no H2 C4 H4 59.7 . . . no H2 C4 H4 59.7 . . . no H2 C4 H6 108.5 . . . no H2 C4 H6 108.5 . . . no H2 C4 H10 153.6 . . . no H3 C4 H3 46.3 . . . no H3 C4 H4 59.9 . . . no H3 C4 H4 98.0 . . . no H3 C4 H6 63.1 . . . no H3 C4 H6 91.3 . . . no H3 C4 H10 153.1 . . . no H3 C4 H4 98.0 7 7 7 no H3 C4 H4 59.9 7 7 7 no H3 C4 H6 91.3 7 7 7 no H3 C4 H6 63.1 7 7 7 no H3 C4 H10 153.1 7 7 7 no H4 C4 H4 108.9 4 4 4 no H4 C4 H6 83.2 4 4 4 no H4 C4 H6 149.5 4 4 4 no H4 C4 H10 108.9 4 4 4 no H4 C4 H6 149.5 4_565 4_565 4_565 no H4 C4 H6 83.2 4_565 4_565 4_565 no H4 C4 H10 108.9 4_565 4_565 4_565 no H6 C4 H6 74.1 . . . no H6 C4 H10 92.4 . . . no H6 C4 H10 92.4 7 7 7 no O1 C5 O2 107.0(9) 1_556 1_556 1_556 ? O1 C5 O2 107.0(9) 1_556 1_556 1_556 ? O1 C5 N1 166.9(2) 1_556 1_556 1_556 ? O1 C5 C1 157.4(2) 1_556 1_556 1_556 ? O1 C5 C2 119.4(2) 1_556 1_556 1_556 ? O1 C5 C3 109.3(2) 1_556 1_556 1_556 ? O1 C5 C4 137.9(4) 1_556 1_556 1_556 ? O1 C5 C7 162.4(2) 1_556 1_556 1_556 ? O1 C5 C8 146.3(3) 1_556 1_556 1_556 ? O1 C5 C8 146.3(3) 1_556 1_556 1_556 ? O1 C5 C11 63.9(7) 1_556 1_556 1_556 ? O1 C5 C11 63.9(7) 1_556 1_556 1_556 ? O1 C5 H1 85.0 1_556 1_556 1_556 no O1 C5 H2 28.0 1_556 1_556 1_556 no O1 C5 H3 93.8 1_556 1_556 1_556 no O1 C5 H3 93.8 1_556 1_556 1_556 no O1 C5 H4 72.4 1_556 1_556 1_556 no O1 C5 H4 72.4 1_556 1_556 1_556 no O1 C5 H5 48.9 1_556 1_556 1_556 no O1 C5 H5 48.9 1_556 1_556 1_556 no O1 C5 H6 140.6 1_556 1_556 1_556 no O1 C5 H6 140.6 1_556 1_556 1_556 no O1 C5 H7 69.1 1_556 1_556 1_556 no O1 C5 H7 69.1 1_556 1_556 1_556 no O1 C5 H8 63.0 1_556 1_556 1_556 no O1 C5 H8 63.0 1_556 1_556 1_556 no O2 C5 O2 132.7(2) . . . ? O2 C5 N1 69.7(9) . . . ? O2 C5 C1 67.9(8) . . . ? O2 C5 C2 67.5(5) . . . ? O2 C5 C3 69.2(4) . . . ? O2 C5 C4 66.4(7) . . . ? O2 C5 C7 78.7(8) . . . ? O2 C5 C8 64.4(6) . . . ? O2 C5 C8 100.7(6) . . . ? O2 C5 C11 60.7(2) . . . ? O2 C5 C11 166.5(2) . . . ? O2 C5 H1 75.7 . . . no O2 C5 H2 97.5 . . . no O2 C5 H3 51.9 . . . no O2 C5 H3 152.7 . . . no O2 C5 H4 35.8 . . . no O2 C5 H4 139.7 . . . no O2 C5 H5 59.4 . . . no O2 C5 H5 133.4 . . . no O2 C5 H6 48.9 . . . no O2 C5 H6 111.6 . . . no O2 C5 H7 129.4 . . . no O2 C5 H7 93.2 . . . no O2 C5 H8 165.9 . . . no O2 C5 H8 61.3 . . . no O2 C5 N1 69.7(9) 1_565 1_565 1_565 ? O2 C5 C1 67.9(8) 1_565 1_565 1_565 ? O2 C5 C2 67.5(5) 1_565 1_565 1_565 ? O2 C5 C3 69.2(4) 1_565 1_565 1_565 ? O2 C5 C4 66.4(7) 1_565 1_565 1_565 ? O2 C5 C7 78.7(8) 1_565 1_565 1_565 ? O2 C5 C8 100.7(6) 1_565 1_565 1_565 ? O2 C5 C8 64.4(6) 1_565 1_565 1_565 ? O2 C5 C11 166.5(2) 1_565 1_565 1_565 ? O2 C5 C11 60.7(2) 1_565 1_565 1_565 ? O2 C5 H1 75.7 1_565 1_565 1_565 no O2 C5 H2 97.5 1_565 1_565 1_565 no O2 C5 H3 152.7 1_565 1_565 1_565 no O2 C5 H3 51.9 1_565 1_565 1_565 no O2 C5 H4 139.7 1_565 1_565 1_565 no O2 C5 H4 35.8 1_565 1_565 1_565 no O2 C5 H5 133.4 1_565 1_565 1_565 no O2 C5 H5 59.4 1_565 1_565 1_565 no O2 C5 H6 111.6 1_565 1_565 1_565 no O2 C5 H6 48.9 1_565 1_565 1_565 no O2 C5 H7 93.2 1_565 1_565 1_565 no O2 C5 H7 129.4 1_565 1_565 1_565 no O2 C5 H8 61.3 1_565 1_565 1_565 no O2 C5 H8 165.9 1_565 1_565 1_565 no N1 C5 C1 9.54(13) . . . ? N1 C5 C2 47.5(2) . . . ? N1 C5 C3 57.6(2) . . . ? N1 C5 C4 29.0(3) . . . ? N1 C5 C7 30.7(1) . . . ? N1 C5 C8 44.7(3) . . . ? N1 C5 C8 44.7(3) . . . ? N1 C5 C11 121.4(7) . . . ? N1 C5 C11 121.4(7) . . . ? N1 C5 H1 81.9 . . . no N1 C5 H2 138.9 . . . no N1 C5 H3 93.6 . . . no N1 C5 H3 93.6 . . . no N1 C5 H4 101.6 . . . no N1 C5 H4 101.6 . . . no N1 C5 H5 123.7 . . . no N1 C5 H5 123.7 . . . no N1 C5 H6 46.8 . . . no N1 C5 H6 46.8 . . . no N1 C5 H7 123.1 . . . no N1 C5 H7 123.1 . . . no N1 C5 H8 122.3 . . . no N1 C5 H8 122.3 . . . no C1 C5 C2 37.98(12) . . . ? C1 C5 C3 48.1(2) . . . ? C1 C5 C4 19.5(3) . . . ? C1 C5 C7 40.19(13) . . . ? C1 C5 C8 53.2(3) . . . ? C1 C5 C8 53.2(3) . . . ? C1 C5 C11 124.4(7) . . . ? C1 C5 C11 124.4(7) . . . ? C1 C5 H1 72.4 . . . no C1 C5 H2 129.4 . . . no C1 C5 H3 99.0 . . . no C1 C5 H3 99.0 . . . no C1 C5 H4 96.9 . . . no C1 C5 H4 96.9 . . . no C1 C5 H5 117.5 . . . no C1 C5 H5 117.5 . . . no C1 C5 H6 53.3 . . . no C1 C5 H6 53.3 . . . no C1 C5 H7 131.9 . . . no C1 C5 H7 131.9 . . . no C1 C5 H8 125.2 . . . no C1 C5 H8 125.2 . . . no C2 C5 C3 10.1(2) . . . ? C2 C5 C4 18.5(3) . . . ? C2 C5 C7 78.2(2) . . . ? C2 C5 C8 88.6(3) . . . ? C2 C5 C8 88.6(3) . . . ? C2 C5 C11 125.1(3) . . . ? C2 C5 C11 125.1(3) . . . ? C2 C5 H1 34.4 . . . no C2 C5 H2 91.4 . . . no C2 C5 H3 117.4 . . . no C2 C5 H3 117.4 . . . no C2 C5 H4 77.8 . . . no C2 C5 H4 77.8 . . . no C2 C5 H5 89.7 . . . no C2 C5 H5 89.7 . . . no C2 C5 H6 83.2 . . . no C2 C5 H6 83.2 . . . no C2 C5 H7 160.2 . . . no C2 C5 H7 160.2 . . . no C2 C5 H8 125.5 . . . no C2 C5 H8 125.5 . . . no C3 C5 C4 28.6(3) . . . ? C3 C5 C7 88.3(2) . . . ? C3 C5 C8 98.1(3) . . . ? C3 C5 C8 98.1(3) . . . ? C3 C5 C11 122.3(2) . . . ? C3 C5 C11 122.3(2) . . . ? C3 C5 H1 24.3 . . . no C3 C5 H2 81.3 . . . no C3 C5 H3 120.8 . . . no C3 C5 H3 120.8 . . . no C3 C5 H4 73.1 . . . no C3 C5 H4 73.1 . . . no C3 C5 H5 82.1 . . . no C3 C5 H5 82.1 . . . no C3 C5 H6 91.6 . . . no C3 C5 H6 91.6 . . . no C3 C5 H7 161.4 . . . no C3 C5 H7 161.4 . . . no C3 C5 H8 122.5 . . . no C3 C5 H8 122.5 . . . no C4 C5 C7 59.7(3) . . . ? C4 C5 C8 71.2(4) . . . ? C4 C5 C8 71.2(4) . . . ? C4 C5 C11 127.1(5) . . . ? C4 C5 C11 127.1(5) . . . ? C4 C5 H1 52.9 . . . no C4 C5 H2 109.9 . . . no C4 C5 H3 109.3 . . . no C4 C5 H3 109.3 . . . no C4 C5 H4 87.0 . . . no C4 C5 H4 87.0 . . . no C4 C5 H5 103.6 . . . no C4 C5 H5 103.6 . . . no C4 C5 H6 68.1 . . . no C4 C5 H6 68.1 . . . no C4 C5 H7 148.7 . . . no C4 C5 H7 148.7 . . . no C4 C5 H8 127.7 . . . no C4 C5 H8 127.7 . . . no C7 C5 C8 22.2(2) . . . ? C7 C5 C8 22.2(2) . . . ? C7 C5 C11 107.1(7) . . . ? C7 C5 C11 107.1(7) . . . ? C7 C5 H1 112.5 . . . no C7 C5 H2 169.6 . . . no C7 C5 H3 76.5 . . . no C7 C5 H3 76.5 . . . no C7 C5 H4 114.4 . . . no C7 C5 H4 114.4 . . . no C7 C5 H5 137.8 . . . no C7 C5 H5 137.8 . . . no C7 C5 H6 34.2 . . . no C7 C5 H6 34.2 . . . no C7 C5 H7 94.3 . . . no C7 C5 H7 94.3 . . . no C7 C5 H8 108.0 . . . no C7 C5 H8 108.0 . . . no C8 C5 C8 39.4(2) . . . ? C8 C5 C11 85.1(5) . . . ? C8 C5 C11 116.9(6) . . . ? C8 C5 H1 120.7 . . . no C8 C5 H2 160.3 . . . no C8 C5 H3 54.4 . . . no C8 C5 H3 88.4 . . . no C8 C5 H4 98.3 . . . no C8 C5 H4 136.4 . . . no C8 C5 H5 119.5 . . . no C8 C5 H5 158.9 . . . no C8 C5 H6 15.5 . . . no C8 C5 H6 54.1 . . . no C8 C5 H7 90.9 . . . no C8 C5 H7 78.6 . . . no C8 C5 H8 117.6 . . . no C8 C5 H8 86.0 . . . no C8 C5 C11 116.9(6) 7 7 7 ? C8 C5 C11 85.1(5) 7 7 7 ? C8 C5 H1 120.7 7 7 7 no C8 C5 H2 160.3 7 7 7 no C8 C5 H3 88.4 7 7 7 no C8 C5 H3 54.4 7 7 7 no C8 C5 H4 136.4 7 7 7 no C8 C5 H4 98.3 7 7 7 no C8 C5 H5 158.9 7 7 7 no C8 C5 H5 119.5 7 7 7 no C8 C5 H6 54.1 7 7 7 no C8 C5 H6 15.5 7 7 7 no C8 C5 H7 78.6 7 7 7 no C8 C5 H7 90.9 7 7 7 no C8 C5 H8 86.0 7 7 7 no C8 C5 H8 117.6 7 7 7 no C11 C5 C11 105.8(2) 3_646 3_646 3_646 ? C11 C5 H1 111.9 3_646 3_646 3_646 no C11 C5 H2 78.8 3_646 3_646 3_646 no C11 C5 H3 30.7 3_646 3_646 3_646 no C11 C5 H3 116.8 3_646 3_646 3_646 no C11 C5 H4 49.7 3_646 3_646 3_646 no C11 C5 H4 136.3 3_646 3_646 3_646 no C11 C5 H5 49.1 3_646 3_646 3_646 no C11 C5 H5 112.8 3_646 3_646 3_646 no C11 C5 H6 76.7 3_646 3_646 3_646 no C11 C5 H6 131.5 3_646 3_646 3_646 no C11 C5 H7 74.5 3_646 3_646 3_646 no C11 C5 H7 39.5 3_646 3_646 3_646 no C11 C5 H8 105.2 3_646 3_646 3_646 no C11 C5 H8 0.9 3_646 3_646 3_646 no C11 C5 H1 111.9 3_656 3_656 3_656 no C11 C5 H2 78.8 3_656 3_656 3_656 no C11 C5 H3 116.8 3_656 3_656 3_656 no C11 C5 H3 30.7 3_656 3_656 3_656 no C11 C5 H4 136.3 3_656 3_656 3_656 no C11 C5 H4 49.7 3_656 3_656 3_656 no C11 C5 H5 112.8 3_656 3_656 3_656 no C11 C5 H5 49.1 3_656 3_656 3_656 no C11 C5 H6 131.5 3_656 3_656 3_656 no C11 C5 H6 76.7 3_656 3_656 3_656 no C11 C5 H7 39.5 3_656 3_656 3_656 no C11 C5 H7 74.5 3_656 3_656 3_656 no C11 C5 H8 0.9 3_656 3_656 3_656 no C11 C5 H8 105.2 3_656 3_656 3_656 no H1 C5 H2 57.0 . . . no H1 C5 H3 124.8 . . . no H1 C5 H3 124.8 . . . no H1 C5 H4 64.0 . . . no H1 C5 H4 64.0 . . . no H1 C5 H5 64.4 . . . no H1 C5 H5 64.4 . . . no H1 C5 H6 111.4 . . . no H1 C5 H6 111.4 . . . no H1 C5 H7 147.6 . . . no H1 C5 H7 147.6 . . . no H1 C5 H8 111.7 . . . no H1 C5 H8 111.7 . . . no H2 C5 H3 108.9 . . . no H2 C5 H3 108.9 . . . no H2 C5 H4 62.5 . . . no H2 C5 H4 62.5 . . . no H2 C5 H5 40.8 . . . no H2 C5 H5 40.8 . . . no H2 C5 H6 145.4 . . . no H2 C5 H6 145.4 . . . no H2 C5 H7 95.6 . . . no H2 C5 H7 95.6 . . . no H2 C5 H8 78.0 . . . no H2 C5 H8 78.0 . . . no H3 C5 H3 110.5 . . . no H3 C5 H4 63.2 . . . no H3 C5 H4 163.7 . . . no H3 C5 H5 73.8 . . . no H3 C5 H5 142.4 . . . no H3 C5 H6 47.1 . . . no H3 C5 H6 103.8 . . . no H3 C5 H7 77.6 . . . no H3 C5 H7 42.8 . . . no H3 C5 H8 116.6 . . . no H3 C5 H8 31.5 . . . no H3 C5 H4 163.7 7 7 7 no H3 C5 H4 63.2 7 7 7 no H3 C5 H5 142.4 7 7 7 no H3 C5 H5 73.8 7 7 7 no H3 C5 H6 103.8 7 7 7 no H3 C5 H6 47.1 7 7 7 no H3 C5 H7 42.8 7 7 7 no H3 C5 H7 77.6 7 7 7 no H3 C5 H8 31.5 7 7 7 no H3 C5 H8 116.6 7 7 7 no H4 C5 H4 118.3 4 4 4 no H4 C5 H5 23.8 4 4 4 no H4 C5 H5 101.9 4 4 4 no H4 C5 H6 82.9 4 4 4 no H4 C5 H6 147.0 4 4 4 no H4 C5 H7 121.8 4 4 4 no H4 C5 H7 89.1 4 4 4 no H4 C5 H8 135.4 4 4 4 no H4 C5 H8 49.7 4 4 4 no H4 C5 H5 101.9 4_565 4_565 4_565 no H4 C5 H5 23.8 4_565 4_565 4_565 no H4 C5 H6 147.0 4_565 4_565 4_565 no H4 C5 H6 82.9 4_565 4_565 4_565 no H4 C5 H7 89.1 4_565 4_565 4_565 no H4 C5 H7 121.8 4_565 4_565 4_565 no H4 C5 H8 49.7 4_565 4_565 4_565 no H4 C5 H8 135.4 4_565 4_565 4_565 no H5 C5 H5 81.5 4 4 4 no H5 C5 H6 104.8 4 4 4 no H5 C5 H6 170.4 4 4 4 no H5 C5 H7 107.6 4 4 4 no H5 C5 H7 83.6 4 4 4 no H5 C5 H8 111.9 4 4 4 no H5 C5 H8 48.7 4 4 4 no H5 C5 H6 170.4 6 6 6 no H5 C5 H6 104.8 6 6 6 no H5 C5 H7 83.6 6 6 6 no H5 C5 H7 107.6 6 6 6 no H5 C5 H8 48.7 6 6 6 no H5 C5 H8 111.9 6 6 6 no H6 C5 H6 68.1 . . . no H6 C5 H7 100.9 . . . no H6 C5 H7 80.5 . . . no H6 C5 H8 132.1 . . . no H6 C5 H8 77.6 . . . no H6 C5 H7 80.5 7 7 7 no H6 C5 H7 100.9 7 7 7 no H6 C5 H8 77.6 7 7 7 no H6 C5 H8 132.1 7 7 7 no H7 C5 H7 36.9 3_656 3_656 3_656 no H7 C5 H8 39.4 3_656 3_656 3_656 no H7 C5 H8 74.2 3_656 3_656 3_656 no H7 C5 H8 74.2 5_656 5_656 5_656 no H7 C5 H8 39.4 5_656 5_656 5_656 no H8 C5 H8 104.6 3_656 3_656 3_656 no O1 C6 O1 111.2(2) 4 4 4 ? O1 C6 O2 103.0(7) 4 4 4 ? O1 C6 O3 60.4(7) 4 4 4 ? O1 C6 O4 54.1(2) 4 4 4 ? O1 C6 O4 118.5(7) 4 4 4 ? O1 C6 O4 151.8(2) 4 4 4 ? O1 C6 N2 123.1(3) 4 4 4 ? O1 C6 N3 110.8(8) 4 4 4 ? O1 C6 C1 121.3(2) 4 4 4 ? O1 C6 C2 113.4(2) 4 4 4 ? O1 C6 C3 100.3(5) 4 4 4 ? O1 C6 C4 105.9(4) 4 4 4 ? O1 C6 C11 65.5(2) 4 4 4 ? O1 C6 H1 86.4 4 4 4 no O1 C6 H1 65.9 4 4 4 no O1 C6 H1 166.9 4 4 4 no O1 C6 H2 40.3 4 4 4 no O1 C6 H2 132.7 4 4 4 no O1 C6 H3 54.7 4 4 4 no O1 C6 H3 115.6 4 4 4 no O1 C6 H4 104.2 4 4 4 no O1 C6 H5 4.3 4 4 4 no O1 C6 H5 114.1 4 4 4 no O1 C6 H8 81.6 4 4 4 no O1 C6 H8 56.5 4 4 4 no O1 C6 H9 59.6 4 4 4 no O1 C6 H10 124.1 4 4 4 no O1 C6 H10 37.8 4 4 4 no O1 C6 H10 124.0 4 4 4 no O1 C6 O2 103.0(7) 4_565 4_565 4_565 ? O1 C6 O3 60.4(7) 4_565 4_565 4_565 ? O1 C6 O4 151.8(2) 4_565 4_565 4_565 ? O1 C6 O4 118.5(7) 4_565 4_565 4_565 ? O1 C6 O4 54.1(2) 4_565 4_565 4_565 ? O1 C6 N2 123.1(3) 4_565 4_565 4_565 ? O1 C6 N3 110.8(8) 4_565 4_565 4_565 ? O1 C6 C1 121.3(2) 4_565 4_565 4_565 ? O1 C6 C2 113.4(2) 4_565 4_565 4_565 ? O1 C6 C3 100.3(5) 4_565 4_565 4_565 ? O1 C6 C4 105.9(4) 4_565 4_565 4_565 ? O1 C6 C11 65.5(2) 4_565 4_565 4_565 ? O1 C6 H1 86.4 4_565 4_565 4_565 no O1 C6 H1 166.9 4_565 4_565 4_565 no O1 C6 H1 65.9 4_565 4_565 4_565 no O1 C6 H2 132.7 4_565 4_565 4_565 no O1 C6 H2 40.3 4_565 4_565 4_565 no O1 C6 H3 115.6 4_565 4_565 4_565 no O1 C6 H3 54.7 4_565 4_565 4_565 no O1 C6 H4 104.2 4_565 4_565 4_565 no O1 C6 H5 114.1 4_565 4_565 4_565 no O1 C6 H5 4.3 4_565 4_565 4_565 no O1 C6 H8 56.5 4_565 4_565 4_565 no O1 C6 H8 81.6 4_565 4_565 4_565 no O1 C6 H9 59.6 4_565 4_565 4_565 no O1 C6 H10 124.1 4_565 4_565 4_565 no O1 C6 H10 124.0 4_565 4_565 4_565 no O1 C6 H10 37.8 4_565 4_565 4_565 no O2 C6 O3 142.5(2) 4_554 4_554 4_554 ? O2 C6 O4 103.9(8) 4_554 4_554 4_554 ? O2 C6 O4 34.22(10) 4_554 4_554 4_554 ? O2 C6 O4 103.9(8) 4_554 4_554 4_554 ? O2 C6 N2 81.8(2) 4_554 4_554 4_554 ? O2 C6 N3 15.58(9) 4_554 4_554 4_554 ? O2 C6 C1 89.8(2) 4_554 4_554 4_554 ? O2 C6 C2 111.9(3) 4_554 4_554 4_554 ? O2 C6 C3 138.3(2) 4_554 4_554 4_554 ? O2 C6 C4 127.6(2) 4_554 4_554 4_554 ? O2 C6 C11 70.7(2) 4_554 4_554 4_554 ? O2 C6 H1 162.9 4_554 4_554 4_554 no O2 C6 H1 66.5 4_554 4_554 4_554 no O2 C6 H1 66.5 4_554 4_554 4_554 no O2 C6 H2 65.7 4_554 4_554 4_554 no O2 C6 H2 65.7 4_554 4_554 4_554 no O2 C6 H3 48.3 4_554 4_554 4_554 no O2 C6 H3 48.3 4_554 4_554 4_554 no O2 C6 H4 2.3 4_554 4_554 4_554 no O2 C6 H5 104.9 4_554 4_554 4_554 no O2 C6 H5 104.9 4_554 4_554 4_554 no O2 C6 H8 63.9 4_554 4_554 4_554 no O2 C6 H8 63.9 4_554 4_554 4_554 no O2 C6 H9 86.9 4_554 4_554 4_554 no O2 C6 H10 59.0 4_554 4_554 4_554 no O2 C6 H10 125.1 4_554 4_554 4_554 no O2 C6 H10 125.1 4_554 4_554 4_554 no O3 C6 O4 92.6(9) 4 4 4 ? O3 C6 O4 176.7(2) 4 4 4 ? O3 C6 O4 92.6(9) 4 4 4 ? O3 C6 N2 135.7(2) 4 4 4 ? O3 C6 N3 158.1(2) 4 4 4 ? O3 C6 C1 127.7(2) 4 4 4 ? O3 C6 C2 105.6(3) 4 4 4 ? O3 C6 C3 79.2(2) 4 4 4 ? O3 C6 C4 89.9(2) 4 4 4 ? O3 C6 C11 71.8(2) 4 4 4 ? O3 C6 H1 54.6 4 4 4 no O3 C6 H1 122.9 4 4 4 no O3 C6 H1 122.9 4 4 4 no O3 C6 H2 99.7 4 4 4 no O3 C6 H2 99.7 4 4 4 no O3 C6 H3 105.5 4 4 4 no O3 C6 H3 105.5 4 4 4 no O3 C6 H4 144.9 4 4 4 no O3 C6 H5 61.2 4 4 4 no O3 C6 H5 61.2 4 4 4 no O3 C6 H8 79.8 4 4 4 no O3 C6 H8 79.8 4 4 4 no O3 C6 H9 55.7 4 4 4 no O3 C6 H10 158.5 4 4 4 no O3 C6 H10 63.9 4 4 4 no O3 C6 H10 63.9 4 4 4 no O4 C6 O4 88.9(9) . . . ? O4 C6 O4 125.6(2) . . . ? O4 C6 N2 69.5(5) . . . ? O4 C6 N3 97.3(9) . . . ? O4 C6 C1 67.2(4) . . . ? O4 C6 C2 63.24(10) . . . ? O4 C6 C3 64.0(4) . . . ? O4 C6 C4 63.0(3) . . . ? O4 C6 C11 116.51(12) . . . ? O4 C6 H1 69.9 . . . no O4 C6 H1 37.5 . . . no O4 C6 H1 134.1 . . . no O4 C6 H2 54.8 . . . no O4 C6 H2 167.6 . . . no O4 C6 H3 77.4 . . . no O4 C6 H3 150.5 . . . no O4 C6 H4 103.0 . . . no O4 C6 H5 50.0 . . . no O4 C6 H5 150.8 . . . no O4 C6 H8 131.3 . . . no O4 C6 H8 102.9 . . . no O4 C6 H9 113.7 . . . no O4 C6 H10 77.9 . . . no O4 C6 H10 28.9 . . . no O4 C6 H10 125.4 . . . no O4 C6 O4 88.9(9) 4_554 4_554 4_554 ? O4 C6 N2 47.6(1) 4_554 4_554 4_554 ? O4 C6 N3 18.64(8) 4_554 4_554 4_554 ? O4 C6 C1 55.60(12) 4_554 4_554 4_554 ? O4 C6 C2 77.7(3) 4_554 4_554 4_554 ? O4 C6 C3 104.1(2) 4_554 4_554 4_554 ? O4 C6 C4 93.3(2) 4_554 4_554 4_554 ? O4 C6 C11 104.9(2) 4_554 4_554 4_554 ? O4 C6 H1 128.7 4_554 4_554 4_554 no O4 C6 H1 57.3 4_554 4_554 4_554 no O4 C6 H1 57.3 4_554 4_554 4_554 no O4 C6 H2 78.8 4_554 4_554 4_554 no O4 C6 H2 78.8 4_554 4_554 4_554 no O4 C6 H3 72.0 4_554 4_554 4_554 no O4 C6 H3 72.0 4_554 4_554 4_554 no O4 C6 H4 31.9 4_554 4_554 4_554 no O4 C6 H5 118.0 4_554 4_554 4_554 no O4 C6 H5 118.0 4_554 4_554 4_554 no O4 C6 H8 97.0 4_554 4_554 4_554 no O4 C6 H8 97.0 4_554 4_554 4_554 no O4 C6 H9 121.1 4_554 4_554 4_554 no O4 C6 H10 24.8 4_554 4_554 4_554 no O4 C6 H10 117.4 4_554 4_554 4_554 no O4 C6 H10 117.4 4_554 4_554 4_554 no O4 C6 N2 69.5(5) 1_565 1_565 1_565 ? O4 C6 N3 97.3(9) 1_565 1_565 1_565 ? O4 C6 C1 67.2(4) 1_565 1_565 1_565 ? O4 C6 C2 63.24(10) 1_565 1_565 1_565 ? O4 C6 C3 64.0(4) 1_565 1_565 1_565 ? O4 C6 C4 63.0(3) 1_565 1_565 1_565 ? O4 C6 C11 116.51(12) 1_565 1_565 1_565 ? O4 C6 H1 69.9 1_565 1_565 1_565 no O4 C6 H1 134.1 1_565 1_565 1_565 no O4 C6 H1 37.5 1_565 1_565 1_565 no O4 C6 H2 167.6 1_565 1_565 1_565 no O4 C6 H2 54.8 1_565 1_565 1_565 no O4 C6 H3 150.5 1_565 1_565 1_565 no O4 C6 H3 77.4 1_565 1_565 1_565 no O4 C6 H4 103.0 1_565 1_565 1_565 no O4 C6 H5 150.8 1_565 1_565 1_565 no O4 C6 H5 50.0 1_565 1_565 1_565 no O4 C6 H8 102.9 1_565 1_565 1_565 no O4 C6 H8 131.3 1_565 1_565 1_565 no O4 C6 H9 113.7 1_565 1_565 1_565 no O4 C6 H10 77.9 1_565 1_565 1_565 no O4 C6 H10 125.4 1_565 1_565 1_565 no O4 C6 H10 28.9 1_565 1_565 1_565 no N2 C6 N3 66.2(2) . . . ? N2 C6 C1 8.01(13) . . . ? N2 C6 C2 30.1(3) . . . ? N2 C6 C3 56.5(2) . . . ? N2 C6 C4 45.7(2) . . . ? N2 C6 C11 152.5(3) . . . ? N2 C6 H1 81.1 . . . no N2 C6 H1 64.8 . . . no N2 C6 H1 64.8 . . . no N2 C6 H2 101.4 . . . no N2 C6 H2 101.4 . . . no N2 C6 H3 109.2 . . . no N2 C6 H3 109.2 . . . no N2 C6 H4 79.5 . . . no N2 C6 H5 119.2 . . . no N2 C6 H5 119.2 . . . no N2 C6 H8 142.4 . . . no N2 C6 H8 142.4 . . . no N2 C6 H9 168.7 . . . no N2 C6 H10 22.8 . . . no N2 C6 H10 93.2 . . . no N2 C6 H10 93.2 . . . no N3 C6 C1 74.2(1) 4_554 4_554 4_554 ? N3 C6 C2 96.3(3) 4_554 4_554 4_554 ? N3 C6 C3 122.7(2) 4_554 4_554 4_554 ? N3 C6 C4 112.0(2) 4_554 4_554 4_554 ? N3 C6 C11 86.3(2) 4_554 4_554 4_554 ? N3 C6 H1 147.3 4_554 4_554 4_554 no N3 C6 H1 61.0 4_554 4_554 4_554 no N3 C6 H1 61.0 4_554 4_554 4_554 no N3 C6 H2 70.9 4_554 4_554 4_554 no N3 C6 H2 70.9 4_554 4_554 4_554 no N3 C6 H3 58.3 4_554 4_554 4_554 no N3 C6 H3 58.3 4_554 4_554 4_554 no N3 C6 H4 13.2 4_554 4_554 4_554 no N3 C6 H5 111.7 4_554 4_554 4_554 no N3 C6 H5 111.7 4_554 4_554 4_554 no N3 C6 H8 78.9 4_554 4_554 4_554 no N3 C6 H8 78.9 4_554 4_554 4_554 no N3 C6 H9 102.4 4_554 4_554 4_554 no N3 C6 H10 43.4 4_554 4_554 4_554 no N3 C6 H10 123.2 4_554 4_554 4_554 no N3 C6 H10 123.2 4_554 4_554 4_554 no C1 C6 C2 22.1(3) . . . ? C1 C6 C3 48.4(2) . . . ? C1 C6 C4 37.73(13) . . . ? C1 C6 C11 160.5(2) . . . ? C1 C6 H1 73.1 . . . no C1 C6 H1 68.1 . . . no C1 C6 H1 68.1 . . . no C1 C6 H2 105.0 . . . no C1 C6 H2 105.0 . . . no C1 C6 H3 115.2 . . . no C1 C6 H3 115.2 . . . no C1 C6 H4 87.5 . . . no C1 C6 H5 117.2 . . . no C1 C6 H5 117.2 . . . no C1 C6 H8 149.6 . . . no C1 C6 H8 149.6 . . . no C1 C6 H9 176.7 . . . no C1 C6 H10 30.8 . . . no C1 C6 H10 88.6 . . . no C1 C6 H10 88.6 . . . no C2 C6 C3 26.4(3) . . . ? C2 C6 C4 15.7(3) . . . ? C2 C6 C11 177.4(4) . . . ? C2 C6 H1 51.0 . . . no C2 C6 H1 78.6 . . . no C2 C6 H1 78.6 . . . no C2 C6 H2 113.2 . . . no C2 C6 H2 113.2 . . . no C2 C6 H3 130.2 . . . no C2 C6 H3 130.2 . . . no C2 C6 H4 109.5 . . . no C2 C6 H5 109.1 . . . no C2 C6 H5 109.1 . . . no C2 C6 H8 164.9 . . . no C2 C6 H8 164.9 . . . no C2 C6 H9 161.3 . . . no C2 C6 H10 52.9 . . . no C2 C6 H10 76.2 . . . no C2 C6 H10 76.2 . . . no C3 C6 C4 10.7(2) . . . ? C3 C6 C11 151.1(3) . . . ? C3 C6 H1 24.7 . . . no C3 C6 H1 92.9 . . . no C3 C6 H1 92.9 . . . no C3 C6 H2 118.7 . . . no C3 C6 H2 118.7 . . . no C3 C6 H3 141.4 . . . no C3 C6 H3 141.4 . . . no C3 C6 H4 135.9 . . . no C3 C6 H5 96.4 . . . no C3 C6 H5 96.4 . . . no C3 C6 H8 154.6 . . . no C3 C6 H8 154.6 . . . no C3 C6 H9 134.9 . . . no C3 C6 H10 79.2 . . . no C3 C6 H10 63.5 . . . no C3 C6 H10 63.5 . . . no C4 C6 C11 161.8(2) . . . ? C4 C6 H1 35.4 . . . no C4 C6 H1 87.0 . . . no C4 C6 H1 87.0 . . . no C4 C6 H2 117.2 . . . no C4 C6 H2 117.2 . . . no C4 C6 H3 138.1 . . . no C4 C6 H3 138.1 . . . no C4 C6 H4 125.2 . . . no C4 C6 H5 101.8 . . . no C4 C6 H5 101.8 . . . no C4 C6 H8 162.3 . . . no C4 C6 H8 162.3 . . . no C4 C6 H9 145.6 . . . no C4 C6 H10 68.5 . . . no C4 C6 H10 68.2 . . . no C4 C6 H10 68.2 . . . no C11 C6 H1 126.4 2_455 2_455 2_455 no C11 C6 H1 102.7 2_455 2_455 2_455 no C11 C6 H1 102.7 2_455 2_455 2_455 no C11 C6 H2 67.6 2_455 2_455 2_455 no C11 C6 H2 67.6 2_455 2_455 2_455 no C11 C6 H3 51.4 2_455 2_455 2_455 no C11 C6 H3 51.4 2_455 2_455 2_455 no C11 C6 H4 73.0 2_455 2_455 2_455 no C11 C6 H5 69.8 2_455 2_455 2_455 no C11 C6 H5 69.8 2_455 2_455 2_455 no C11 C6 H8 16.1 2_455 2_455 2_455 no C11 C6 H8 16.1 2_455 2_455 2_455 no C11 C6 H9 16.2 2_455 2_455 2_455 no C11 C6 H10 129.7 2_455 2_455 2_455 no C11 C6 H10 102.4 2_455 2_455 2_455 no C11 C6 H10 102.4 2_455 2_455 2_455 no H1 C6 H1 105.8 . . . no H1 C6 H1 105.8 . . . no H1 C6 H2 118.1 . . . no H1 C6 H2 118.1 . . . no H1 C6 H3 139.6 . . . no H1 C6 H3 139.6 . . . no H1 C6 H4 160.6 . . . no H1 C6 H5 83.6 . . . no H1 C6 H5 83.6 . . . no H1 C6 H8 132.4 . . . no H1 C6 H8 132.4 . . . no H1 C6 H9 110.2 . . . no H1 C6 H10 103.9 . . . no H1 C6 H10 56.1 . . . no H1 C6 H10 56.1 . . . no H1 C6 H1 113.8 4_554 4_554 4_554 no H1 C6 H2 36.9 4_554 4_554 4_554 no H1 C6 H2 131.6 4_554 4_554 4_554 no H1 C6 H3 51.8 4_554 4_554 4_554 no H1 C6 H3 114.0 4_554 4_554 4_554 no H1 C6 H4 65.5 4_554 4_554 4_554 no H1 C6 H5 63.8 4_554 4_554 4_554 no H1 C6 H5 170.5 4_554 4_554 4_554 no H1 C6 H8 110.6 4_554 4_554 4_554 no H1 C6 H8 86.6 4_554 4_554 4_554 no H1 C6 H9 110.5 4_554 4_554 4_554 no H1 C6 H10 58.3 4_554 4_554 4_554 no H1 C6 H10 62.3 4_554 4_554 4_554 no H1 C6 H10 154.8 4_554 4_554 4_554 no H1 C6 H2 131.6 4_564 4_564 4_564 no H1 C6 H2 36.9 4_564 4_564 4_564 no H1 C6 H3 114.0 4_564 4_564 4_564 no H1 C6 H3 51.8 4_564 4_564 4_564 no H1 C6 H4 65.5 4_564 4_564 4_564 no H1 C6 H5 170.5 4_564 4_564 4_564 no H1 C6 H5 63.8 4_564 4_564 4_564 no H1 C6 H8 86.6 4_564 4_564 4_564 no H1 C6 H8 110.6 4_564 4_564 4_564 no H1 C6 H9 110.5 4_564 4_564 4_564 no H1 C6 H10 58.3 4_564 4_564 4_564 no H1 C6 H10 154.8 4_564 4_564 4_564 no H1 C6 H10 62.3 4_564 4_564 4_564 no H2 C6 H2 121.7 4_554 4_554 4_554 no H2 C6 H3 23.1 4_554 4_554 4_554 no H2 C6 H3 98.6 4_554 4_554 4_554 no H2 C6 H4 66.3 4_554 4_554 4_554 no H2 C6 H5 40.9 4_554 4_554 4_554 no H2 C6 H5 137.0 4_554 4_554 4_554 no H2 C6 H8 79.0 4_554 4_554 4_554 no H2 C6 H8 51.7 4_554 4_554 4_554 no H2 C6 H9 73.6 4_554 4_554 4_554 no H2 C6 H10 90.6 4_554 4_554 4_554 no H2 C6 H10 62.0 4_554 4_554 4_554 no H2 C6 H10 163.3 4_554 4_554 4_554 no H2 C6 H3 98.6 4_564 4_564 4_564 no H2 C6 H3 23.1 4_564 4_564 4_564 no H2 C6 H4 66.3 4_564 4_564 4_564 no H2 C6 H5 137.0 4_564 4_564 4_564 no H2 C6 H5 40.9 4_564 4_564 4_564 no H2 C6 H8 51.7 4_564 4_564 4_564 no H2 C6 H8 79.0 4_564 4_564 4_564 no H2 C6 H9 73.6 4_564 4_564 4_564 no H2 C6 H10 90.6 4_564 4_564 4_564 no H2 C6 H10 163.3 4_564 4_564 4_564 no H2 C6 H10 62.0 4_564 4_564 4_564 no H3 C6 H3 75.4 4_554 4_554 4_554 no H3 C6 H4 49.7 4_554 4_554 4_554 no H3 C6 H5 57.0 4_554 4_554 4_554 no H3 C6 H5 119.8 4_554 4_554 4_554 no H3 C6 H8 59.2 4_554 4_554 4_554 no H3 C6 H8 35.6 4_554 4_554 4_554 no H3 C6 H9 62.4 4_554 4_554 4_554 no H3 C6 H10 91.4 4_554 4_554 4_554 no H3 C6 H10 83.9 4_554 4_554 4_554 no H3 C6 H10 153.4 4_554 4_554 4_554 no H3 C6 H4 49.7 6_554 6_554 6_554 no H3 C6 H5 119.8 6_554 6_554 6_554 no H3 C6 H5 57.0 6_554 6_554 6_554 no H3 C6 H8 35.6 6_554 6_554 6_554 no H3 C6 H8 59.2 6_554 6_554 6_554 no H3 C6 H9 62.4 6_554 6_554 6_554 no H3 C6 H10 91.4 6_554 6_554 6_554 no H3 C6 H10 153.4 6_554 6_554 6_554 no H3 C6 H10 83.9 6_554 6_554 6_554 no H4 C6 H5 106.0 . . . no H4 C6 H5 106.0 . . . no H4 C6 H8 66.2 . . . no H4 C6 H8 66.2 . . . no H4 C6 H9 89.2 . . . no H4 C6 H10 56.7 . . . no H4 C6 H10 125.0 . . . no H4 C6 H10 125.0 . . . no H5 C6 H5 116.8 . . . no H5 C6 H8 85.9 . . . no H5 C6 H8 60.6 . . . no H5 C6 H9 63.8 . . . no H5 C6 H10 121.6 . . . no H5 C6 H10 33.7 . . . no H5 C6 H10 124.1 . . . no H5 C6 H8 60.6 7 7 7 no H5 C6 H8 85.9 7 7 7 no H5 C6 H9 63.8 7 7 7 no H5 C6 H10 121.6 7 7 7 no H5 C6 H10 124.1 7 7 7 no H5 C6 H10 33.7 7 7 7 no H8 C6 H8 28.5 2_455 2_455 2_455 no H8 C6 H9 27.6 2_455 2_455 2_455 no H8 C6 H10 120.9 2_455 2_455 2_455 no H8 C6 H10 118.5 2_455 2_455 2_455 no H8 C6 H10 94.3 2_455 2_455 2_455 no H8 C6 H9 27.6 8_455 8_455 8_455 no H8 C6 H10 120.9 8_455 8_455 8_455 no H8 C6 H10 94.3 8_455 8_455 8_455 no H8 C6 H10 118.5 8_455 8_455 8_455 no H9 C6 H10 145.9 2_455 2_455 2_455 no H9 C6 H10 93.3 2_455 2_455 2_455 no H9 C6 H10 93.3 2_455 2_455 2_455 no H10 C6 H10 105.9 . . . no H10 C6 H10 105.9 . . . no H10 C6 H10 109.7 4 4 4 no O1 C7 O3 61.1(7) . . . ? O1 C7 O3 61.1(7) . . . ? O1 C7 N1 58.0(2) . . . ? O1 C7 N2 39.03(11) . . . ? O1 C7 C1 27.0(1) . . . ? O1 C7 C3 76.0(2) . . . ? O1 C7 C4 86.5(2) . . . ? O1 C7 C5 117.5(2) . . . ? O1 C7 C8 105.5(8) . . . ? O1 C7 C8 105.5(8) . . . ? O1 C7 C9 117.7(5) . . . ? O1 C7 C9 117.7(5) . . . ? O1 C7 C10 122.0(2) . . . ? O1 C7 H2 114.9 . . . no O1 C7 H3 126.4 . . . no O1 C7 H3 126.4 . . . no O1 C7 H6 93.4 . . . no O1 C7 H6 93.4 . . . no O1 C7 H7 114.8 . . . no O1 C7 H7 114.8 . . . no O3 C7 O3 105.6(1) . . . ? O3 C7 N1 55.7(2) . . . ? O3 C7 N2 52.8(2) . . . ? O3 C7 C1 53.5(3) . . . ? O3 C7 C3 62.0(4) . . . ? O3 C7 C4 66.9(6) . . . ? O3 C7 C5 84.3(8) . . . ? O3 C7 C8 66.1(3) . . . ? O3 C7 C8 166.5(4) . . . ? O3 C7 C9 95.9(2) . . . ? O3 C7 C9 151.9(2) . . . ? O3 C7 C10 124.3(2) . . . ? O3 C7 H2 82.8 . . . no O3 C7 H3 77.8 . . . no O3 C7 H3 103.8 . . . no O3 C7 H6 42.9 . . . no O3 C7 H6 148.5 . . . no O3 C7 H7 87.3 . . . no O3 C7 H7 159.4 . . . no O3 C7 N1 55.7(2) 1_565 1_565 1_565 ? O3 C7 N2 52.8(2) 1_565 1_565 1_565 ? O3 C7 C1 53.5(3) 1_565 1_565 1_565 ? O3 C7 C3 62.0(4) 1_565 1_565 1_565 ? O3 C7 C4 66.9(6) 1_565 1_565 1_565 ? O3 C7 C5 84.3(8) 1_565 1_565 1_565 ? O3 C7 C8 166.5(4) 1_565 1_565 1_565 ? O3 C7 C8 66.1(3) 1_565 1_565 1_565 ? O3 C7 C9 151.9(2) 1_565 1_565 1_565 ? O3 C7 C9 95.9(2) 1_565 1_565 1_565 ? O3 C7 C10 124.3(2) 1_565 1_565 1_565 ? O3 C7 H2 82.8 1_565 1_565 1_565 no O3 C7 H3 103.8 1_565 1_565 1_565 no O3 C7 H3 77.8 1_565 1_565 1_565 no O3 C7 H6 148.5 1_565 1_565 1_565 no O3 C7 H6 42.9 1_565 1_565 1_565 no O3 C7 H7 159.4 1_565 1_565 1_565 no O3 C7 H7 87.3 1_565 1_565 1_565 no N1 C7 N2 18.9(2) . . . ? N1 C7 C1 31.0(2) . . . ? N1 C7 C3 18.0(2) . . . ? N1 C7 C4 28.5(2) . . . ? N1 C7 C5 59.5(3) . . . ? N1 C7 C8 120.1(3) . . . ? N1 C7 C8 120.1(3) . . . ? N1 C7 C9 150.71(13) . . . ? N1 C7 C9 150.71(13) . . . ? N1 C7 C10 179.9(4) . . . ? N1 C7 H2 56.9 . . . no N1 C7 H3 71.1 . . . no N1 C7 H3 71.1 . . . no N1 C7 H6 96.0 . . . no N1 C7 H6 96.0 . . . no N1 C7 H7 141.9 . . . no N1 C7 H7 141.9 . . . no N2 C7 C1 12.1(2) . . . ? N2 C7 C3 36.92(11) . . . ? N2 C7 C4 47.4(2) . . . ? N2 C7 C5 78.4(2) . . . ? N2 C7 C8 118.4(4) . . . ? N2 C7 C8 118.4(4) . . . ? N2 C7 C9 145.7(3) . . . ? N2 C7 C9 145.7(3) . . . ? N2 C7 C10 161.0(2) . . . ? N2 C7 H2 75.8 . . . no N2 C7 H3 89.2 . . . no N2 C7 H3 89.2 . . . no N2 C7 H6 95.8 . . . no N2 C7 H6 95.8 . . . no N2 C7 H7 138.1 . . . no N2 C7 H7 138.1 . . . no C1 C7 C3 49.0(2) . . . ? C1 C7 C4 59.5(2) . . . ? C1 C7 C5 90.5(2) . . . ? C1 C7 C8 115.5(5) . . . ? C1 C7 C8 115.5(5) . . . ? C1 C7 C9 138.5(4) . . . ? C1 C7 C9 138.5(4) . . . ? C1 C7 C10 148.9(3) . . . ? C1 C7 H2 87.9 . . . no C1 C7 H3 100.8 . . . no C1 C7 H3 100.8 . . . no C1 C7 H6 95.3 . . . no C1 C7 H6 95.3 . . . no C1 C7 H7 132.5 . . . no C1 C7 H7 132.5 . . . no C3 C7 C4 10.5(2) . . . ? C3 C7 C5 41.5(2) . . . ? C3 C7 C8 118.5(5) . . . ? C3 C7 C8 118.5(5) . . . ? C3 C7 C9 146.0(3) . . . ? C3 C7 C9 146.0(3) . . . ? C3 C7 C10 162.1(2) . . . ? C3 C7 H2 38.9 . . . no C3 C7 H3 54.1 . . . no C3 C7 H3 54.1 . . . no C3 C7 H6 95.7 . . . no C3 C7 H6 95.7 . . . no C3 C7 H7 138.4 . . . no C3 C7 H7 138.4 . . . no C4 C7 C5 31.0(2) . . . ? C4 C7 C8 116.1(6) . . . ? C4 C7 C8 116.1(6) . . . ? C4 C7 C9 139.9(4) . . . ? C4 C7 C9 139.9(4) . . . ? C4 C7 C10 151.6(3) . . . ? C4 C7 H2 28.4 . . . no C4 C7 H3 44.3 . . . no C4 C7 H3 44.3 . . . no C4 C7 H6 95.2 . . . no C4 C7 H6 95.2 . . . no C4 C7 H7 133.6 . . . no C4 C7 H7 133.6 . . . no C5 C7 C8 104.6(9) . . . ? C5 C7 C8 104.6(9) . . . ? C5 C7 C9 116.1(5) . . . ? C5 C7 C9 116.1(5) . . . ? C5 C7 C10 120.6(2) . . . ? C5 C7 H2 2.6 . . . no C5 C7 H3 19.5 . . . no C5 C7 H3 19.5 . . . no C5 C7 H6 92.8 . . . no C5 C7 H6 92.8 . . . no C5 C7 H7 113.4 . . . no C5 C7 H7 113.4 . . . no C8 C7 C8 119.8(5) . . . ? C8 C7 C9 30.6(2) . . . ? C8 C7 C9 89.2(3) . . . ? C8 C7 C10 59.9(3) . . . ? C8 C7 H2 105.8 . . . no C8 C7 H3 85.2 . . . no C8 C7 H3 113.9 . . . no C8 C7 H6 24.1 . . . no C8 C7 H6 143.9 . . . no C8 C7 H7 21.8 . . . no C8 C7 H7 98.0 . . . no C8 C7 C9 89.2(3) 7 7 7 ? C8 C7 C9 30.6(2) 7 7 7 ? C8 C7 C10 59.9(3) 7 7 7 ? C8 C7 H2 105.8 7 7 7 no C8 C7 H3 113.9 7 7 7 no C8 C7 H3 85.2 7 7 7 no C8 C7 H6 143.9 7 7 7 no C8 C7 H6 24.1 7 7 7 no C8 C7 H7 98.0 7 7 7 no C8 C7 H7 21.8 7 7 7 no C9 C7 C9 58.6(3) . . . ? C9 C7 C10 29.29(13) . . . ? C9 C7 H2 118.3 . . . no C9 C7 H3 98.2 . . . no C9 C7 H3 114.8 . . . no C9 C7 H6 54.7 . . . no C9 C7 H6 113.3 . . . no C9 C7 H7 8.8 . . . no C9 C7 H7 67.4 . . . no C9 C7 C10 29.29(13) 7 7 7 ? C9 C7 H2 118.3 7 7 7 no C9 C7 H3 114.8 7 7 7 no C9 C7 H3 98.2 7 7 7 no C9 C7 H6 113.3 7 7 7 no C9 C7 H6 54.7 7 7 7 no C9 C7 H7 67.4 7 7 7 no C9 C7 H7 8.8 7 7 7 no C10 C7 H2 123.2 . . . no C10 C7 H3 109.0 . . . no C10 C7 H3 109.0 . . . no C10 C7 H6 84.0 . . . no C10 C7 H6 84.0 . . . no C10 C7 H7 38.1 . . . no C10 C7 H7 38.1 . . . no H2 C7 H3 21.0 . . . no H2 C7 H3 21.0 . . . no H2 C7 H6 93.1 . . . no H2 C7 H6 93.1 . . . no H2 C7 H7 115.3 . . . no H2 C7 H7 115.3 . . . no H3 C7 H3 32.8 . . . no H3 C7 H6 75.5 . . . no H3 C7 H6 108.1 . . . no H3 C7 H7 94.5 . . . no H3 C7 H7 115.3 . . . no H3 C7 H6 108.1 7 7 7 no H3 C7 H6 75.5 7 7 7 no H3 C7 H7 115.3 7 7 7 no H3 C7 H7 94.5 7 7 7 no H6 C7 H6 167.9 . . . no H6 C7 H7 45.8 . . . no H6 C7 H7 122.1 . . . no H6 C7 H7 122.1 7 7 7 no H6 C7 H7 45.8 7 7 7 no H7 C7 H7 76.3 . . . no O1 C8 O2 86.6(5) . . . ? O1 C8 O3 61.5(4) . . . ? O1 C8 N1 43.6(2) . . . ? O1 C8 C1 21.54(13) . . . ? O1 C8 C4 64.9(1) . . . ? O1 C8 C5 89.1(2) . . . ? O1 C8 C7 51.7(6) . . . ? O1 C8 C8 69.6(6) . . . ? O1 C8 C9 129.2(4) . . . ? O1 C8 C9 91.5(6) . . . ? O1 C8 C10 112.6(5) . . . ? O1 C8 C11 119.9(4) . . . ? O1 C8 H3 101.7 . . . no O1 C8 H3 91.0 . . . no O1 C8 H6 90.1 . . . no O1 C8 H6 64.2 . . . no O1 C8 H6 104.8 . . . no O1 C8 H7 136.2 . . . no O1 C8 H7 91.3 . . . no O1 C8 H7 128.1 . . . no O1 C8 H7 69.1 . . . no O1 C8 H8 132.3 . . . no O1 C8 H9 65.3 . . . no O2 C8 O3 33.43(11) . . . ? O2 C8 N1 66.1(3) . . . ? O2 C8 C1 71.3(5) . . . ? O2 C8 C4 54.22(10) . . . ? O2 C8 C5 58.4(4) . . . ? O2 C8 C7 95.4(4) . . . ? O2 C8 C8 123.5(4) . . . ? O2 C8 C9 140.0(4) . . . ? O2 C8 C9 149.8(4) . . . ? O2 C8 C10 159.4(3) . . . ? O2 C8 C11 153.5(2) . . . ? O2 C8 H3 52.0 . . . no O2 C8 H3 74.1 . . . no O2 C8 H6 31.3 . . . no O2 C8 H6 115.7 . . . no O2 C8 H6 49.1 . . . no O2 C8 H7 118.3 . . . no O2 C8 H7 149.6 . . . no O2 C8 H7 84.2 . . . no O2 C8 H7 128.1 . . . no O2 C8 H8 140.2 . . . no O2 C8 H9 80.0 . . . no O3 C8 N1 64.2(2) . . . ? O3 C8 C1 55.1(2) . . . ? O3 C8 C4 65.9(5) . . . ? O3 C8 C5 82.3(6) . . . ? O3 C8 C7 94.5(3) . . . ? O3 C8 C8 123.6(2) . . . ? O3 C8 C9 143.3(4) . . . ? O3 C8 C9 152.2(2) . . . ? O3 C8 C10 164.9(3) . . . ? O3 C8 C11 158.4(2) . . . ? O3 C8 H3 81.3 . . . no O3 C8 H3 96.8 . . . no O3 C8 H6 29.6 . . . no O3 C8 H6 115.6 . . . no O3 C8 H6 48.7 . . . no O3 C8 H7 120.4 . . . no O3 C8 H7 151.9 . . . no O3 C8 H7 85.1 . . . no O3 C8 H7 96.4 . . . no O3 C8 H8 150.5 . . . no O3 C8 H9 50.9 . . . no N1 C8 C1 23.3(2) . . . ? N1 C8 C4 21.9(2) . . . ? N1 C8 C5 45.5(3) . . . ? N1 C8 C7 31.2(2) . . . ? N1 C8 C8 61.35(13) . . . ? N1 C8 C9 151.0(4) . . . ? N1 C8 C9 92.2(2) . . . ? N1 C8 C10 122.5(2) . . . ? N1 C8 C11 133.6(2) . . . ? N1 C8 H3 58.5 . . . no N1 C8 H3 49.3 . . . no N1 C8 H6 89.6 . . . no N1 C8 H6 53.0 . . . no N1 C8 H6 110.5 . . . no N1 C8 H7 175.3 . . . no N1 C8 H7 91.9 . . . no N1 C8 H7 148.3 . . . no N1 C8 H7 111.9 . . . no N1 C8 H8 145.2 . . . no N1 C8 H9 99.8 . . . no C1 C8 C4 43.6(2) . . . ? C1 C8 C5 68.4(2) . . . ? C1 C8 C7 42.5(4) . . . ? C1 C8 C8 69.0(3) . . . ? C1 C8 C9 148.0(4) . . . ? C1 C8 C9 97.4(3) . . . ? C1 C8 C10 124.7(4) . . . ? C1 C8 C11 134.5(4) . . . ? C1 C8 H3 80.3 . . . no C1 C8 H3 72.5 . . . no C1 C8 H6 84.5 . . . no C1 C8 H6 61.5 . . . no C1 C8 H6 103.6 . . . no C1 C8 H7 157.4 . . . no C1 C8 H7 97.1 . . . no C1 C8 H7 137.1 . . . no C1 C8 H7 90.6 . . . no C1 C8 H8 148.3 . . . no C1 C8 H9 78.3 . . . no C4 C8 C5 25.1(2) . . . ? C4 C8 C7 42.3(4) . . . ? C4 C8 C8 69.3(4) . . . ? C4 C8 C9 149.5(4) . . . ? C4 C8 C9 98.0(4) . . . ? C4 C8 C10 125.9(4) . . . ? C4 C8 C11 135.6(3) . . . ? C4 C8 H3 36.9 . . . no C4 C8 H3 33.8 . . . no C4 C8 H6 83.6 . . . no C4 C8 H6 61.6 . . . no C4 C8 H6 103.2 . . . no C4 C8 H7 158.9 . . . no C4 C8 H7 97.7 . . . no C4 C8 H7 137.3 . . . no C4 C8 H7 133.7 . . . no C4 C8 H8 141.1 . . . no C4 C8 H9 112.1 . . . no C5 C8 C7 53.2(7) . . . ? C5 C8 C8 70.3(7) . . . ? C5 C8 C9 127.7(4) . . . ? C5 C8 C9 91.4(7) . . . ? C5 C8 C10 112.2(5) . . . ? C5 C8 C11 118.8(4) . . . ? C5 C8 H3 15.1 . . . no C5 C8 H3 15.7 . . . no C5 C8 H6 89.5 . . . no C5 C8 H6 64.9 . . . no C5 C8 H6 104.2 . . . no C5 C8 H7 134.3 . . . no C5 C8 H7 91.2 . . . no C5 C8 H7 126.7 . . . no C5 C8 H7 155.4 . . . no C5 C8 H8 119.5 . . . no C5 C8 H9 132.8 . . . no C7 C8 C8 30.1(3) . . . ? C7 C8 C9 119.7(4) . . . ? C7 C8 C9 61.0(3) . . . ? C7 C8 C10 91.2(3) . . . ? C7 C8 C11 102.3(3) . . . ? C7 C8 H3 68.2 . . . no C7 C8 H3 45.9 . . . no C7 C8 H6 120.9 . . . no C7 C8 H6 21.8 . . . no C7 C8 H6 141.8 . . . no C7 C8 H7 144.0 . . . no C7 C8 H7 60.6 . . . no C7 C8 H7 179.6 . . . no C7 C8 H7 102.7 . . . no C7 C8 H8 114.4 . . . no C7 C8 H9 117.0 . . . no C8 C8 C9 89.6(3) 7 7 7 ? C8 C8 C9 30.84(12) 7 7 7 ? C8 C8 C10 61.1(1) 7 7 7 ? C8 C8 C11 72.21(11) 7 7 7 ? C8 C8 H3 82.8 7 7 7 no C8 C8 H3 56.7 7 7 7 no C8 C8 H6 151.0 7 7 7 no C8 C8 H6 8.3 7 7 7 no C8 C8 H6 171.9 7 7 7 no C8 C8 H7 113.9 7 7 7 no C8 C8 H7 30.5 7 7 7 no C8 C8 H7 150.3 7 7 7 no C8 C8 H7 90.8 7 7 7 no C8 C8 H8 84.5 7 7 7 no C8 C8 H9 127.2 7 7 7 no C9 C8 C9 58.8(3) . . . ? C9 C8 C10 28.5(2) . . . ? C9 C8 C11 17.4(2) . . . ? C9 C8 H3 121.7 . . . no C9 C8 H3 116.1 . . . no C9 C8 H6 119.4 . . . no C9 C8 H6 98.0 . . . no C9 C8 H6 98.5 . . . no C9 C8 H7 24.3 . . . no C9 C8 H7 59.1 . . . no C9 C8 H7 60.7 . . . no C9 C8 H7 65.3 . . . no C9 C8 H8 8.4 . . . no C9 C8 H9 98.1 . . . no C9 C8 C10 30.26(12) 7 7 7 ? C9 C8 C11 41.36(12) 7 7 7 ? C9 C8 H3 99.3 7 7 7 no C9 C8 H3 75.9 7 7 7 no C9 C8 H6 178.1 7 7 7 no C9 C8 H6 39.2 7 7 7 no C9 C8 H6 157.3 7 7 7 no C9 C8 H7 83.1 7 7 7 no C9 C8 H7 0.3 7 7 7 no C9 C8 H7 119.5 7 7 7 no C9 C8 H7 78.3 7 7 7 no C9 C8 H8 53.9 7 7 7 no C9 C8 H9 126.2 7 7 7 no C10 C8 C11 11.10(7) . . . ? C10 C8 H3 113.8 . . . no C10 C8 H3 97.2 . . . no C10 C8 H6 147.9 . . . no C10 C8 H6 69.4 . . . no C10 C8 H6 127.0 . . . no C10 C8 H7 52.8 . . . no C10 C8 H7 30.6 . . . no C10 C8 H7 89.2 . . . no C10 C8 H7 68.7 . . . no C10 C8 H8 24.3 . . . no C10 C8 H9 114.2 . . . no C11 C8 H3 117.5 . . . no C11 C8 H3 104.7 . . . no C11 C8 H6 136.8 . . . no C11 C8 H6 80.5 . . . no C11 C8 H6 115.9 . . . no C11 C8 H7 41.7 . . . no C11 C8 H7 41.7 . . . no C11 C8 H7 78.1 . . . no C11 C8 H7 66.9 . . . no C11 C8 H8 13.9 . . . no C11 C8 H9 108.5 . . . no H3 C8 H3 26.1 . . . no H3 C8 H6 81.3 . . . no H3 C8 H6 78.3 . . . no H3 C8 H6 92.8 . . . no H3 C8 H7 122.1 . . . no H3 C8 H7 99.1 . . . no H3 C8 H7 111.7 . . . no H3 C8 H7 170.3 . . . no H3 C8 H8 114.3 . . . no H3 C8 H9 131.5 . . . no H3 C8 H6 105.1 7 7 7 no H3 C8 H6 52.5 7 7 7 no H3 C8 H6 118.7 7 7 7 no H3 C8 H7 128.8 7 7 7 no H3 C8 H7 75.6 7 7 7 no H3 C8 H7 134.1 7 7 7 no H3 C8 H7 146.8 7 7 7 no H3 C8 H8 107.7 7 7 7 no H3 C8 H9 145.8 7 7 7 no H6 C8 H6 142.6 . . . no H6 C8 H6 20.9 . . . no H6 C8 H7 95.1 . . . no H6 C8 H7 178.5 . . . no H6 C8 H7 58.7 . . . no H6 C8 H7 101.3 . . . no H6 C8 H8 124.3 . . . no H6 C8 H9 53.8 . . . no H6 C8 H6 163.5 7 7 7 no H6 C8 H7 122.3 7 7 7 no H6 C8 H7 38.9 7 7 7 no H6 C8 H7 158.7 7 7 7 no H6 C8 H7 94.4 7 7 7 no H6 C8 H8 92.7 7 7 7 no H6 C8 H9 125.5 7 7 7 no H6 C8 H7 74.2 7_545 7_545 7_545 no H6 C8 H7 157.6 7_545 7_545 7_545 no H6 C8 H7 37.8 7_545 7_545 7_545 no H6 C8 H7 92.7 7_545 7_545 7_545 no H6 C8 H8 103.6 7_545 7_545 7_545 no H6 C8 H9 51.9 7_545 7_545 7_545 no H7 C8 H7 83.4 . . . no H7 C8 H7 36.4 . . . no H7 C8 H7 67.2 . . . no H7 C8 H8 30.2 . . . no H7 C8 H9 83.2 . . . no H7 C8 H7 119.8 7 7 7 no H7 C8 H7 78.5 7 7 7 no H7 C8 H8 54.2 7 7 7 no H7 C8 H9 126.3 7 7 7 no H7 C8 H7 77.4 7_545 7_545 7_545 no H7 C8 H8 66.1 7_545 7_545 7_545 no H7 C8 H9 62.8 7_545 7_545 7_545 no H7 C8 H8 72.1 5_655 5_655 5_655 no H7 C8 H9 48.5 5_655 5_655 5_655 no H8 C8 H9 106.5 . . . no N1 C9 C7 11.09(7) . . . ? N1 C9 C8 18.6(2) . . . ? N1 C9 C8 40.96(11) . . . ? N1 C9 C9 71.81(11) . . . ? N1 C9 C9 105.0(3) . . . ? N1 C9 C10 103.9(3) . . . ? N1 C9 C11 134.5(2) . . . ? N1 C9 H3 41.4 . . . no N1 C9 H3 147.1 . . . no N1 C9 H6 42.7 . . . no N1 C9 H6 41.4 . . . no N1 C9 H6 78.6 . . . no N1 C9 H7 137.8 . . . no N1 C9 H7 80.4 . . . no N1 C9 H7 116.4 . . . no N1 C9 H7 94.1 . . . no N1 C9 H8 151.7 . . . no N1 C9 H8 124.2 . . . no N1 C9 H9 134.7 . . . no N1 C9 H9 73.0 . . . no C7 C9 C8 29.6(2) . . . ? C7 C9 C8 29.87(12) . . . ? C7 C9 C9 60.7(2) . . . ? C7 C9 C9 106.6(5) . . . ? C7 C9 C10 92.8(3) . . . ? C7 C9 C11 123.4(2) . . . ? C7 C9 H3 45.0 . . . no C7 C9 H3 147.0 . . . no C7 C9 H6 53.8 . . . no C7 C9 H6 30.3 . . . no C7 C9 H6 89.7 . . . no C7 C9 H7 148.9 . . . no C7 C9 H7 69.3 . . . no C7 C9 H7 127.5 . . . no C7 C9 H7 93.9 . . . no C7 C9 H8 141.2 . . . no C7 C9 H8 113.3 . . . no C7 C9 H9 124.5 . . . no C7 C9 H9 80.8 . . . no C8 C9 C8 59.5(3) . . . ? C8 C9 C9 90.4(3) . . . ? C8 C9 C9 101.0(4) . . . ? C8 C9 C10 122.4(4) . . . ? C8 C9 C11 153.1(4) . . . ? C8 C9 H3 40.8 . . . no C8 C9 H3 140.5 . . . no C8 C9 H6 24.2 . . . no C8 C9 H6 60.0 . . . no C8 C9 H6 60.1 . . . no C8 C9 H7 119.2 . . . no C8 C9 H7 98.9 . . . no C8 C9 H7 97.9 . . . no C8 C9 H7 93.9 . . . no C8 C9 H8 167.2 . . . no C8 C9 H8 142.4 . . . no C8 C9 H9 150.6 . . . no C8 C9 H9 60.9 . . . no C8 C9 C9 30.84(12) 7 7 7 ? C8 C9 C9 107.8(8) 7 7 7 ? C8 C9 C10 62.9(3) 7 7 7 ? C8 C9 C11 93.6(2) 7 7 7 ? C8 C9 H3 62.0 7 7 7 no C8 C9 H3 133.1 7 7 7 no C8 C9 H6 83.7 7 7 7 no C8 C9 H6 0.5 7 7 7 no C8 C9 H6 119.6 7 7 7 no C8 C9 H7 178.7 7 7 7 no C8 C9 H7 39.4 7 7 7 no C8 C9 H7 157.4 7 7 7 no C8 C9 H7 92.9 7 7 7 no C8 C9 H8 112.1 7 7 7 no C8 C9 H8 83.7 7 7 7 no C8 C9 H9 96.3 7 7 7 no C8 C9 H9 102.3 7 7 7 no C9 C9 C9 103.9(10) 7 7 7 ? C9 C9 C10 32.1(3) 7 7 7 ? C9 C9 C11 62.7(1) 7 7 7 ? C9 C9 H3 84.6 7 7 7 no C9 C9 H3 109.5 7 7 7 no C9 C9 H6 114.5 7 7 7 no C9 C9 H6 30.4 7 7 7 no C9 C9 H6 150.4 7 7 7 no C9 C9 H7 150.4 7 7 7 no C9 C9 H7 8.6 7 7 7 no C9 C9 H7 171.8 7 7 7 no C9 C9 H7 91.0 7 7 7 no C9 C9 H8 81.8 7 7 7 no C9 C9 H8 53.2 7 7 7 no C9 C9 H9 67.0 7 7 7 no C9 C9 H9 122.4 7 7 7 no C9 C9 C10 95.4(9) 5_655 5_655 5_655 ? C9 C9 C11 86.6(5) 5_655 5_655 5_655 ? C9 C9 H3 141.5 5_655 5_655 5_655 no C9 C9 H3 106.4 5_655 5_655 5_655 no C9 C9 H6 94.5 5_655 5_655 5_655 no C9 C9 H6 107.9 5_655 5_655 5_655 no C9 C9 H6 83.5 5_655 5_655 5_655 no C9 C9 H7 72.3 5_655 5_655 5_655 no C9 C9 H7 102.1 5_655 5_655 5_655 no C9 C9 H7 74.6 5_655 5_655 5_655 no C9 C9 H7 14.9 5_655 5_655 5_655 no C9 C9 H8 90.8 5_655 5_655 5_655 no C9 C9 H8 97.3 5_655 5_655 5_655 no C9 C9 H9 68.8 5_655 5_655 5_655 no C9 C9 H9 46.0 5_655 5_655 5_655 no C10 C9 C11 30.7(2) . . . ? C10 C9 H3 109.2 . . . no C10 C9 H3 82.9 . . . no C10 C9 H6 146.6 . . . no C10 C9 H6 62.5 . . . no C10 C9 H6 177.5 . . . no C10 C9 H7 118.3 . . . no C10 C9 H7 23.5 . . . no C10 C9 H7 139.7 . . . no C10 C9 H7 88.3 . . . no C10 C9 H8 50.4 . . . no C10 C9 H8 22.4 . . . no C10 C9 H9 37.3 . . . no C10 C9 H9 134.9 . . . no C11 C9 H3 129.1 . . . no C11 C9 H3 57.6 . . . no C11 C9 H6 177.3 . . . no C11 C9 H6 93.1 . . . no C11 C9 H6 146.8 . . . no C11 C9 H7 87.7 . . . no C11 C9 H7 54.2 . . . no C11 C9 H7 109.0 . . . no C11 C9 H7 87.0 . . . no C11 C9 H8 21.3 . . . no C11 C9 H8 12.8 . . . no C11 C9 H9 17.9 . . . no C11 C9 H9 132.5 . . . no H3 C9 H3 105.7 . . . no H3 C9 H6 49.3 . . . no H3 C9 H6 62.3 . . . no H3 C9 H6 72.9 . . . no H3 C9 H7 117.1 . . . no H3 C9 H7 91.1 . . . no H3 C9 H7 101.6 . . . no H3 C9 H7 134.2 . . . no H3 C9 H8 127.7 . . . no H3 C9 H8 116.8 . . . no H3 C9 H9 144.8 . . . no H3 C9 H9 97.5 . . . no H3 C9 H6 124.3 5_656 5_656 5_656 no H3 C9 H6 132.7 5_656 5_656 5_656 no H3 C9 H6 95.2 5_656 5_656 5_656 no H3 C9 H7 47.7 5_656 5_656 5_656 no H3 C9 H7 102.4 5_656 5_656 5_656 no H3 C9 H7 63.8 5_656 5_656 5_656 no H3 C9 H7 118.5 5_656 5_656 5_656 no H3 C9 H8 36.9 5_656 5_656 5_656 no H3 C9 H8 60.9 5_656 5_656 5_656 no H3 C9 H9 67.7 5_656 5_656 5_656 no H3 C9 H9 124.6 5_656 5_656 5_656 no H6 C9 H6 84.2 . . . no H6 C9 H6 35.9 . . . no H6 C9 H7 95.0 . . . no H6 C9 H7 123.1 . . . no H6 C9 H7 73.7 . . . no H6 C9 H7 93.3 . . . no H6 C9 H8 160.9 . . . no H6 C9 H8 164.9 . . . no H6 C9 H9 162.6 . . . no H6 C9 H9 48.7 . . . no H6 C9 H6 120.1 7 7 7 no H6 C9 H7 179.2 7 7 7 no H6 C9 H7 38.9 7 7 7 no H6 C9 H7 157.9 7 7 7 no H6 C9 H7 93.0 7 7 7 no H6 C9 H8 111.6 7 7 7 no H6 C9 H8 83.2 7 7 7 no H6 C9 H9 95.9 7 7 7 no H6 C9 H9 102.7 7 7 7 no H6 C9 H7 59.2 7_545 7_545 7_545 no H6 C9 H7 159.0 7_545 7_545 7_545 no H6 C9 H7 37.8 7_545 7_545 7_545 no H6 C9 H7 91.2 7_545 7_545 7_545 no H6 C9 H8 127.2 7_545 7_545 7_545 no H6 C9 H8 155.4 7_545 7_545 7_545 no H6 C9 H9 140.3 7_545 7_545 7_545 no H6 C9 H9 45.3 7_545 7_545 7_545 no H7 C9 H7 141.9 . . . no H7 C9 H7 21.3 . . . no H7 C9 H7 87.2 . . . no H7 C9 H8 69.1 . . . no H7 C9 H8 97.5 . . . no H7 C9 H9 84.9 . . . no H7 C9 H9 76.9 . . . no H7 C9 H7 163.2 7 7 7 no H7 C9 H7 90.4 7 7 7 no H7 C9 H8 73.3 7 7 7 no H7 C9 H8 44.8 7 7 7 no H7 C9 H9 58.9 7 7 7 no H7 C9 H9 127.0 7 7 7 no H7 C9 H7 88.5 7_545 7_545 7_545 no H7 C9 H8 90.1 7_545 7_545 7_545 no H7 C9 H8 118.6 7_545 7_545 7_545 no H7 C9 H9 105.2 7_545 7_545 7_545 no H7 C9 H9 62.5 7_545 7_545 7_545 no H7 C9 H8 96.3 5_655 5_655 5_655 no H7 C9 H8 95.6 5_655 5_655 5_655 no H7 C9 H9 69.2 5_655 5_655 5_655 no H7 C9 H9 48.2 5_655 5_655 5_655 no H8 C9 H8 28.5 . . . no H8 C9 H9 31.8 . . . no H8 C9 H9 132.0 . . . no H8 C9 H9 28.8 7 7 7 no H8 C9 H9 143.1 7 7 7 no H9 C9 H9 114.9 . . . no C7 C10 C8 28.89(12) . . . ? C7 C10 C8 28.89(12) . . . ? C7 C10 C9 57.9(3) . . . ? C7 C10 C9 57.9(3) . . . ? C7 C10 C11 179.3(4) . . . ? C7 C10 H3 124.7 . . . no C7 C10 H3 124.7 . . . no C7 C10 H6 37.9 . . . no C7 C10 H6 37.9 . . . no C7 C10 H7 82.8 . . . no C7 C10 H7 82.8 . . . no C7 C10 H7 82.8 . . . no C7 C10 H7 82.8 . . . no C7 C10 H8 153.4 . . . no C7 C10 H8 153.4 . . . no C7 C10 H9 154.6 . . . no C8 C10 C8 57.8(2) . . . ? C8 C10 C9 29.0(2) . . . ? C8 C10 C9 86.8(3) . . . ? C8 C10 C11 151.10(12) . . . ? C8 C10 H3 143.2 . . . no C8 C10 H3 101.2 . . . no C8 C10 H6 9.0 . . . no C8 C10 H6 66.7 . . . no C8 C10 H7 53.9 . . . no C8 C10 H7 111.7 . . . no C8 C10 H7 92.8 . . . no C8 C10 H7 74.7 . . . no C8 C10 H8 126.7 . . . no C8 C10 H8 165.3 . . . no C8 C10 H9 142.3 . . . no C8 C10 C9 86.8(3) 7 7 7 ? C8 C10 C9 29.0(2) 7 7 7 ? C8 C10 C11 151.10(12) 7 7 7 ? C8 C10 H3 101.2 7 7 7 no C8 C10 H3 143.2 7 7 7 no C8 C10 H6 66.7 7 7 7 no C8 C10 H6 9.0 7 7 7 no C8 C10 H7 111.7 7 7 7 no C8 C10 H7 53.9 7 7 7 no C8 C10 H7 74.7 7 7 7 no C8 C10 H7 92.8 7 7 7 no C8 C10 H8 165.3 7 7 7 no C8 C10 H8 126.7 7 7 7 no C8 C10 H9 142.3 7 7 7 no C9 C10 C9 115.8(5) . . . ? C9 C10 C11 122.1(3) . . . ? C9 C10 H3 146.1 . . . no C9 C10 H3 76.6 . . . no C9 C10 H6 20.1 . . . no C9 C10 H6 95.8 . . . no C9 C10 H7 24.9 . . . no C9 C10 H7 140.7 . . . no C9 C10 H7 102.3 . . . no C9 C10 H7 70.5 . . . no C9 C10 H8 98.6 . . . no C9 C10 H8 142.9 . . . no C9 C10 H9 118.8 . . . no C9 C10 C11 122.1(3) 7 7 7 ? C9 C10 H3 76.6 7 7 7 no C9 C10 H3 146.1 7 7 7 no C9 C10 H6 95.8 7 7 7 no C9 C10 H6 20.1 7 7 7 no C9 C10 H7 140.7 7 7 7 no C9 C10 H7 24.9 7 7 7 no C9 C10 H7 70.5 7 7 7 no C9 C10 H7 102.3 7 7 7 no C9 C10 H8 142.9 7 7 7 no C9 C10 H8 98.6 7 7 7 no C9 C10 H9 118.8 7 7 7 no C11 C10 H3 54.9 . . . no C11 C10 H3 54.9 . . . no C11 C10 H6 142.1 . . . no C11 C10 H6 142.1 . . . no C11 C10 H7 97.2 . . . no C11 C10 H7 97.2 . . . no C11 C10 H7 97.8 . . . no C11 C10 H7 97.8 . . . no C11 C10 H8 26.3 . . . no C11 C10 H8 26.3 . . . no C11 C10 H9 26.1 . . . no H3 C10 H3 77.7 3_656 3_656 3_656 no H3 C10 H6 146.4 3_656 3_656 3_656 no H3 C10 H6 93.6 3_656 3_656 3_656 no H3 C10 H7 133.7 3_656 3_656 3_656 no H3 C10 H7 56.4 3_656 3_656 3_656 no H3 C10 H7 111.5 3_656 3_656 3_656 no H3 C10 H7 140.6 3_656 3_656 3_656 no H3 C10 H8 66.9 3_656 3_656 3_656 no H3 C10 H8 29.3 3_656 3_656 3_656 no H3 C10 H9 73.4 3_656 3_656 3_656 no H3 C10 H6 93.6 5_656 5_656 5_656 no H3 C10 H6 146.4 5_656 5_656 5_656 no H3 C10 H7 56.4 5_656 5_656 5_656 no H3 C10 H7 133.7 5_656 5_656 5_656 no H3 C10 H7 140.6 5_656 5_656 5_656 no H3 C10 H7 111.5 5_656 5_656 5_656 no H3 C10 H8 29.3 5_656 5_656 5_656 no H3 C10 H8 66.9 5_656 5_656 5_656 no H3 C10 H9 73.4 5_656 5_656 5_656 no H6 C10 H6 75.7 . . . no H6 C10 H7 44.9 . . . no H6 C10 H7 120.7 . . . no H6 C10 H7 95.9 . . . no H6 C10 H7 72.9 . . . no H6 C10 H8 118.1 . . . no H6 C10 H8 160.1 . . . no H6 C10 H9 135.6 . . . no H6 C10 H7 120.7 7 7 7 no H6 C10 H7 44.9 7 7 7 no H6 C10 H7 72.9 7 7 7 no H6 C10 H7 95.9 7 7 7 no H6 C10 H8 160.1 7 7 7 no H6 C10 H8 118.1 7 7 7 no H6 C10 H9 135.6 7 7 7 no H7 C10 H7 165.6 . . . no H7 C10 H7 108.1 . . . no H7 C10 H7 70.6 . . . no H7 C10 H8 74.4 . . . no H7 C10 H8 119.4 . . . no H7 C10 H9 96.6 . . . no H7 C10 H7 70.6 7 7 7 no H7 C10 H7 108.1 7 7 7 no H7 C10 H8 119.4 7 7 7 no H7 C10 H8 74.4 7 7 7 no H7 C10 H9 96.6 7 7 7 no H7 C10 H7 37.7 3_655 3_655 3_655 no H7 C10 H8 116.9 3_655 3_655 3_655 no H7 C10 H8 101.9 3_655 3_655 3_655 no H7 C10 H9 73.1 3_655 3_655 3_655 no H7 C10 H8 101.9 5_655 5_655 5_655 no H7 C10 H8 116.9 5_655 5_655 5_655 no H7 C10 H9 73.1 5_655 5_655 5_655 no H8 C10 H8 45.0 . . . no H8 C10 H9 44.9 . . . no H8 C10 H9 44.9 7 7 7 no O1 C11 O1 107.8(2) 3_645 3_645 3_645 ? O1 C11 O2 90.9(7) 3_645 3_645 3_645 ? O1 C11 O3 54.8(6) 3_645 3_645 3_645 ? O1 C11 C5 50.54(11) 3_645 3_645 3_645 ? O1 C11 C5 130.8(4) 3_645 3_645 3_645 ? O1 C11 C6 63.0(2) 3_645 3_645 3_645 ? O1 C11 C8 103.2(1) 3_645 3_645 3_645 ? O1 C11 C8 136.3(2) 3_645 3_645 3_645 ? O1 C11 C9 94.2(2) 3_645 3_645 3_645 ? O1 C11 C9 144.5(2) 3_645 3_645 3_645 ? O1 C11 C10 119.8(2) 3_645 3_645 3_645 ? O1 C11 H2 38.5 3_645 3_645 3_645 no O1 C11 H2 122.1 3_645 3_645 3_645 no O1 C11 H3 134.0 3_645 3_645 3_645 no O1 C11 H3 59.0 3_645 3_645 3_645 no O1 C11 H4 70.7 3_645 3_645 3_645 no O1 C11 H5 74.0 3_645 3_645 3_645 no O1 C11 H5 46.9 3_645 3_645 3_645 no O1 C11 H6 85.6 3_645 3_645 3_645 no O1 C11 H6 53.4 3_645 3_645 3_645 no O1 C11 H7 74.2 3_645 3_645 3_645 no O1 C11 H7 159.4 3_645 3_645 3_645 no O1 C11 H8 47.6 3_645 3_645 3_645 no O1 C11 H8 130.3 3_645 3_645 3_645 no O1 C11 H9 62.4 3_645 3_645 3_645 no O1 C11 O2 90.9(7) 3_655 3_655 3_655 ? O1 C11 O3 54.8(6) 3_655 3_655 3_655 ? O1 C11 C5 130.8(4) 3_655 3_655 3_655 ? O1 C11 C5 50.54(11) 3_655 3_655 3_655 ? O1 C11 C6 63.0(2) 3_655 3_655 3_655 ? O1 C11 C8 136.3(2) 3_655 3_655 3_655 ? O1 C11 C8 103.2(1) 3_655 3_655 3_655 ? O1 C11 C9 144.5(2) 3_655 3_655 3_655 ? O1 C11 C9 94.2(2) 3_655 3_655 3_655 ? O1 C11 C10 119.8(2) 3_655 3_655 3_655 ? O1 C11 H2 122.1 3_655 3_655 3_655 no O1 C11 H2 38.5 3_655 3_655 3_655 no O1 C11 H3 59.0 3_655 3_655 3_655 no O1 C11 H3 134.0 3_655 3_655 3_655 no O1 C11 H4 70.7 3_655 3_655 3_655 no O1 C11 H5 46.9 3_655 3_655 3_655 no O1 C11 H5 74.0 3_655 3_655 3_655 no O1 C11 H6 53.4 3_655 3_655 3_655 no O1 C11 H6 85.6 3_655 3_655 3_655 no O1 C11 H7 159.4 3_655 3_655 3_655 no O1 C11 H7 74.2 3_655 3_655 3_655 no O1 C11 H8 130.3 3_655 3_655 3_655 no O1 C11 H8 47.6 3_655 3_655 3_655 no O1 C11 H9 62.4 3_655 3_655 3_655 no O2 C11 O3 103.2(2) 3_656 3_656 3_656 ? O2 C11 C5 52.9(5) 3_656 3_656 3_656 ? O2 C11 C5 52.9(5) 3_656 3_656 3_656 ? O2 C11 C6 51.95(13) 3_656 3_656 3_656 ? O2 C11 C8 118.8(4) 3_656 3_656 3_656 ? O2 C11 C8 118.8(4) 3_656 3_656 3_656 ? O2 C11 C9 116.7(5) 3_656 3_656 3_656 ? O2 C11 C9 116.7(5) 3_656 3_656 3_656 ? O2 C11 C10 120.8(4) 3_656 3_656 3_656 ? O2 C11 H2 57.6 3_656 3_656 3_656 no O2 C11 H2 57.6 3_656 3_656 3_656 no O2 C11 H3 49.5 3_656 3_656 3_656 no O2 C11 H3 49.5 3_656 3_656 3_656 no O2 C11 H4 35.6 3_656 3_656 3_656 no O2 C11 H5 60.0 3_656 3_656 3_656 no O2 C11 H5 60.0 3_656 3_656 3_656 no O2 C11 H6 140.4 3_656 3_656 3_656 no O2 C11 H6 140.4 3_656 3_656 3_656 no O2 C11 H7 109.6 3_656 3_656 3_656 no O2 C11 H7 109.6 3_656 3_656 3_656 no O2 C11 H8 54.9 3_656 3_656 3_656 no O2 C11 H8 54.9 3_656 3_656 3_656 no O2 C11 H9 129.7 3_656 3_656 3_656 no O3 C11 C5 97.9(6) 3_655 3_655 3_655 ? O3 C11 C5 97.9(6) 3_655 3_655 3_655 ? O3 C11 C6 51.27(13) 3_655 3_655 3_655 ? O3 C11 C8 133.6(4) 3_655 3_655 3_655 ? O3 C11 C8 133.6(4) 3_655 3_655 3_655 ? O3 C11 C9 130.0(5) 3_655 3_655 3_655 ? O3 C11 C9 130.0(5) 3_655 3_655 3_655 ? O3 C11 C10 135.9(4) 3_655 3_655 3_655 ? O3 C11 H2 84.3 3_655 3_655 3_655 no O3 C11 H2 84.3 3_655 3_655 3_655 no O3 C11 H3 106.3 3_655 3_655 3_655 no O3 C11 H3 106.3 3_655 3_655 3_655 no O3 C11 H4 67.6 3_655 3_655 3_655 no O3 C11 H5 46.2 3_655 3_655 3_655 no O3 C11 H5 46.2 3_655 3_655 3_655 no O3 C11 H6 44.6 3_655 3_655 3_655 no O3 C11 H6 44.6 3_655 3_655 3_655 no O3 C11 H7 118.8 3_655 3_655 3_655 no O3 C11 H7 118.8 3_655 3_655 3_655 no O3 C11 H8 95.4 3_655 3_655 3_655 no O3 C11 H8 95.4 3_655 3_655 3_655 no O3 C11 H9 26.5 3_655 3_655 3_655 no C5 C11 C5 105.8(2) 3_646 3_646 3_646 ? C5 C11 C6 68.2(2) 3_646 3_646 3_646 ? C5 C11 C8 92.7(3) 3_646 3_646 3_646 ? C5 C11 C8 122.3(2) 3_646 3_646 3_646 ? C5 C11 C9 84.6(3) 3_646 3_646 3_646 ? C5 C11 C9 129.6(3) 3_646 3_646 3_646 ? C5 C11 C10 108.0(3) 3_646 3_646 3_646 ? C5 C11 H2 13.6 3_646 3_646 3_646 no C5 C11 H2 108.9 3_646 3_646 3_646 no C5 C11 H3 101.9 3_646 3_646 3_646 no C5 C11 H3 8.7 3_646 3_646 3_646 no C5 C11 H4 60.6 3_646 3_646 3_646 no C5 C11 H5 84.2 3_646 3_646 3_646 no C5 C11 H5 59.8 3_646 3_646 3_646 no C5 C11 H6 136.1 3_646 3_646 3_646 no C5 C11 H6 102.0 3_646 3_646 3_646 no C5 C11 H7 66.9 3_646 3_646 3_646 no C5 C11 H7 143.1 3_646 3_646 3_646 no C5 C11 H8 2.9 3_646 3_646 3_646 no C5 C11 H8 107.8 3_646 3_646 3_646 no C5 C11 H9 112.6 3_646 3_646 3_646 no C5 C11 C6 68.2(2) 3_656 3_656 3_656 ? C5 C11 C8 122.3(2) 3_656 3_656 3_656 ? C5 C11 C8 92.7(3) 3_656 3_656 3_656 ? C5 C11 C9 129.6(3) 3_656 3_656 3_656 ? C5 C11 C9 84.6(3) 3_656 3_656 3_656 ? C5 C11 C10 108.0(3) 3_656 3_656 3_656 ? C5 C11 H2 108.9 3_656 3_656 3_656 no C5 C11 H2 13.6 3_656 3_656 3_656 no C5 C11 H3 8.7 3_656 3_656 3_656 no C5 C11 H3 101.9 3_656 3_656 3_656 no C5 C11 H4 60.6 3_656 3_656 3_656 no C5 C11 H5 59.8 3_656 3_656 3_656 no C5 C11 H5 84.2 3_656 3_656 3_656 no C5 C11 H6 102.0 3_656 3_656 3_656 no C5 C11 H6 136.1 3_656 3_656 3_656 no C5 C11 H7 143.1 3_656 3_656 3_656 no C5 C11 H7 66.9 3_656 3_656 3_656 no C5 C11 H8 107.8 3_656 3_656 3_656 no C5 C11 H8 2.9 3_656 3_656 3_656 no C5 C11 H9 112.6 3_656 3_656 3_656 no C6 C11 C8 160.7(2) 2 2 2 ? C6 C11 C8 160.7(2) 2 2 2 ? C6 C11 C9 151.8(2) 2 2 2 ? C6 C11 C9 151.8(2) 2 2 2 ? C6 C11 C10 172.8(4) 2 2 2 ? C6 C11 H2 59.3 2 2 2 no C6 C11 H2 59.3 2 2 2 no C6 C11 H3 72.9 2 2 2 no C6 C11 H3 72.9 2 2 2 no C6 C11 H4 16.3 2 2 2 no C6 C11 H5 16.1 2 2 2 no C6 C11 H5 16.1 2 2 2 no C6 C11 H6 92.4 2 2 2 no C6 C11 H6 92.4 2 2 2 no C6 C11 H7 131.2 2 2 2 no C6 C11 H7 131.2 2 2 2 no C6 C11 H8 67.4 2 2 2 no C6 C11 H8 67.4 2 2 2 no C6 C11 H9 77.8 2 2 2 no C8 C11 C8 35.6(2) . . . ? C8 C11 C9 9.47(13) . . . ? C8 C11 C9 45.1(2) . . . ? C8 C11 C10 17.80(7) . . . ? C8 C11 H2 101.4 . . . no C8 C11 H2 134.0 . . . no C8 C11 H3 115.5 . . . no C8 C11 H3 88.4 . . . no C8 C11 H4 150.4 . . . no C8 C11 H5 176.7 . . . no C8 C11 H5 147.6 . . . no C8 C11 H6 100.3 . . . no C8 C11 H6 89.0 . . . no C8 C11 H7 30.6 . . . no C8 C11 H7 66.1 . . . no C8 C11 H8 93.3 . . . no C8 C11 H8 123.9 . . . no C8 C11 H9 108.9 . . . no C8 C11 C9 45.1(2) 7 7 7 ? C8 C11 C9 9.47(13) 7 7 7 ? C8 C11 C10 17.80(7) 7 7 7 ? C8 C11 H2 134.0 7 7 7 no C8 C11 H2 101.4 7 7 7 no C8 C11 H3 88.4 7 7 7 no C8 C11 H3 115.5 7 7 7 no C8 C11 H4 150.4 7 7 7 no C8 C11 H5 147.6 7 7 7 no C8 C11 H5 176.7 7 7 7 no C8 C11 H6 89.0 7 7 7 no C8 C11 H6 100.3 7 7 7 no C8 C11 H7 66.1 7 7 7 no C8 C11 H7 30.6 7 7 7 no C8 C11 H8 123.9 7 7 7 no C8 C11 H8 93.3 7 7 7 no C8 C11 H9 108.9 7 7 7 no C9 C11 C9 54.5(2) . . . ? C9 C11 C10 27.27(12) . . . ? C9 C11 H2 92.5 . . . no C9 C11 H2 142.0 . . . no C9 C11 H3 122.1 . . . no C9 C11 H3 81.1 . . . no C9 C11 H4 144.3 . . . no C9 C11 H5 167.3 . . . no C9 C11 H5 138.1 . . . no C9 C11 H6 102.9 . . . no C9 C11 H6 85.9 . . . no C9 C11 H7 21.1 . . . no C9 C11 H7 75.6 . . . no C9 C11 H8 85.0 . . . no C9 C11 H8 131.5 . . . no C9 C11 H9 107.6 . . . no C9 C11 C10 27.27(12) 7 7 7 ? C9 C11 H2 142.0 7 7 7 no C9 C11 H2 92.5 7 7 7 no C9 C11 H3 81.1 7 7 7 no C9 C11 H3 122.1 7 7 7 no C9 C11 H4 144.3 7 7 7 no C9 C11 H5 138.1 7 7 7 no C9 C11 H5 167.3 7 7 7 no C9 C11 H6 85.9 7 7 7 no C9 C11 H6 102.9 7 7 7 no C9 C11 H7 75.6 7 7 7 no C9 C11 H7 21.1 7 7 7 no C9 C11 H8 131.5 7 7 7 no C9 C11 H8 85.0 7 7 7 no C9 C11 H9 107.6 7 7 7 no C10 C11 H2 118.1 . . . no C10 C11 H2 118.1 . . . no C10 C11 H3 102.5 . . . no C10 C11 H3 102.5 . . . no C10 C11 H4 156.4 . . . no C10 C11 H5 165.4 . . . no C10 C11 H5 165.4 . . . no C10 C11 H6 94.5 . . . no C10 C11 H6 94.5 . . . no C10 C11 H7 48.4 . . . no C10 C11 H7 48.4 . . . no C10 C11 H8 109.1 . . . no C10 C11 H8 109.1 . . . no C10 C11 H9 109.5 . . . no H2 C11 H2 108.7 3_646 3_646 3_646 no H2 C11 H3 106.9 3_646 3_646 3_646 no H2 C11 H3 22.3 3_646 3_646 3_646 no H2 C11 H4 55.3 3_646 3_646 3_646 no H2 C11 H5 75.4 3_646 3_646 3_646 no H2 C11 H5 48.5 3_646 3_646 3_646 no H2 C11 H6 123.3 3_646 3_646 3_646 no H2 C11 H6 91.6 3_646 3_646 3_646 no H2 C11 H7 72.8 3_646 3_646 3_646 no H2 C11 H7 156.7 3_646 3_646 3_646 no H2 C11 H8 11.1 3_646 3_646 3_646 no H2 C11 H8 110.3 3_646 3_646 3_646 no H2 C11 H9 99.6 3_646 3_646 3_646 no H2 C11 H3 22.3 3_656 3_656 3_656 no H2 C11 H3 106.9 3_656 3_656 3_656 no H2 C11 H4 55.3 3_656 3_656 3_656 no H2 C11 H5 48.5 3_656 3_656 3_656 no H2 C11 H5 75.4 3_656 3_656 3_656 no H2 C11 H6 91.6 3_656 3_656 3_656 no H2 C11 H6 123.3 3_656 3_656 3_656 no H2 C11 H7 156.7 3_656 3_656 3_656 no H2 C11 H7 72.8 3_656 3_656 3_656 no H2 C11 H8 110.3 3_656 3_656 3_656 no H2 C11 H8 11.1 3_656 3_656 3_656 no H2 C11 H9 99.6 3_656 3_656 3_656 no H3 C11 H3 96.9 3_656 3_656 3_656 no H3 C11 H4 63.3 3_656 3_656 3_656 no H3 C11 H5 66.3 3_656 3_656 3_656 no H3 C11 H5 88.6 3_656 3_656 3_656 no H3 C11 H6 109.6 3_656 3_656 3_656 no H3 C11 H6 144.6 3_656 3_656 3_656 no H3 C11 H7 134.4 3_656 3_656 3_656 no H3 C11 H7 65.3 3_656 3_656 3_656 no H3 C11 H8 104.1 3_656 3_656 3_656 no H3 C11 H8 11.5 3_656 3_656 3_656 no H3 C11 H9 121.3 3_656 3_656 3_656 no H3 C11 H4 63.3 5_656 5_656 5_656 no H3 C11 H5 88.6 5_656 5_656 5_656 no H3 C11 H5 66.3 5_656 5_656 5_656 no H3 C11 H6 144.6 5_656 5_656 5_656 no H3 C11 H6 109.6 5_656 5_656 5_656 no H3 C11 H7 65.3 5_656 5_656 5_656 no H3 C11 H7 134.4 5_656 5_656 5_656 no H3 C11 H8 11.5 5_656 5_656 5_656 no H3 C11 H8 104.1 5_656 5_656 5_656 no H3 C11 H9 121.3 5_656 5_656 5_656 no H4 C11 H5 27.2 2 2 2 no H4 C11 H5 27.2 2 2 2 no H4 C11 H6 107.8 2 2 2 no H4 C11 H6 107.8 2 2 2 no H4 C11 H7 127.4 2 2 2 no H4 C11 H7 127.4 2 2 2 no H4 C11 H8 60.7 2 2 2 no H4 C11 H8 60.7 2 2 2 no H4 C11 H9 94.1 2 2 2 no H5 C11 H5 29.2 2 2 2 no H5 C11 H6 81.3 2 2 2 no H5 C11 H6 90.6 2 2 2 no H5 C11 H7 146.2 2 2 2 no H5 C11 H7 117.0 2 2 2 no H5 C11 H8 83.5 2 2 2 no H5 C11 H8 58.3 2 2 2 no H5 C11 H9 71.5 2 2 2 no H5 C11 H6 90.6 8 8 8 no H5 C11 H6 81.3 8 8 8 no H5 C11 H7 117.0 8 8 8 no H5 C11 H7 146.2 8 8 8 no H5 C11 H8 58.3 8 8 8 no H5 C11 H8 83.5 8 8 8 no H5 C11 H9 71.5 8 8 8 no H6 C11 H6 37.4 3_655 3_655 3_655 no H6 C11 H7 107.2 3_655 3_655 3_655 no H6 C11 H7 79.5 3_655 3_655 3_655 no H6 C11 H8 133.2 3_655 3_655 3_655 no H6 C11 H8 99.2 3_655 3_655 3_655 no H6 C11 H9 23.7 3_655 3_655 3_655 no H6 C11 H7 79.5 5_655 5_655 5_655 no H6 C11 H7 107.2 5_655 5_655 5_655 no H6 C11 H8 99.2 5_655 5_655 5_655 no H6 C11 H8 133.2 5_655 5_655 5_655 no H6 C11 H9 23.7 5_655 5_655 5_655 no H7 C11 H7 96.7 . . . no H7 C11 H8 66.7 . . . no H7 C11 H8 145.7 . . . no H7 C11 H9 103.1 . . . no H7 C11 H8 145.7 7 7 7 no H7 C11 H8 66.7 7 7 7 no H7 C11 H9 103.1 7 7 7 no H8 C11 H8 109.6 . . . no H8 C11 H9 109.8 . . . no H8 C11 H9 109.8 7 7 7 no O2 H1 O2 111.3 . . . no O2 H1 O3 124.0 . . . no O2 H1 O4 33.3 . . . no O2 H1 O4 115.1 . . . no O2 H1 O4 126.7 . . . no O2 H1 N1 57.0 . . . no O2 H1 N2 71.4 . . . no O2 H1 N2 59.8 . . . no O2 H1 N2 171.1 . . . no O2 H1 N3 18.1 . . . no O2 H1 N3 122.8 . . . no O2 H1 N3 112.8 . . . no O2 H1 C1 62.7 . . . no O2 H1 C2 77.9 . . . no O2 H1 C2 62.3 . . . no O2 H1 C2 157.1 . . . no O2 H1 C3 61.7 . . . no O2 H1 C4 55.7 . . . no O2 H1 C5 60.8 . . . no O2 H1 C6 96.2 . . . no O2 H1 C6 48.9 . . . no O2 H1 C6 136.6 . . . no O2 H1 H2 68.6 . . . no O2 H1 H3 48.2 . . . no O2 H1 H3 73.5 . . . no O2 H1 H4 93.4 . . . no O2 H1 H4 34.6 . . . no O2 H1 H4 132.3 . . . no O2 H1 H5 87.6 . . . no O2 H1 H5 57.2 . . . no O2 H1 H5 125.8 . . . no O2 H1 H5 116.1 . . . no O2 H1 H10 46.3 . . . no O2 H1 H10 106.5 . . . no O2 H1 H10 156.1 . . . no O2 H1 O3 124.0 1_565 1_565 1_565 no O2 H1 O4 126.7 1_565 1_565 1_565 no O2 H1 O4 115.1 1_565 1_565 1_565 no O2 H1 O4 33.3 1_565 1_565 1_565 no O2 H1 N1 57.0 1_565 1_565 1_565 no O2 H1 N2 71.4 1_565 1_565 1_565 no O2 H1 N2 171.1 1_565 1_565 1_565 no O2 H1 N2 59.8 1_565 1_565 1_565 no O2 H1 N3 112.8 1_565 1_565 1_565 no O2 H1 N3 122.8 1_565 1_565 1_565 no O2 H1 N3 18.1 1_565 1_565 1_565 no O2 H1 C1 62.7 1_565 1_565 1_565 no O2 H1 C2 77.9 1_565 1_565 1_565 no O2 H1 C2 157.1 1_565 1_565 1_565 no O2 H1 C2 62.3 1_565 1_565 1_565 no O2 H1 C3 61.7 1_565 1_565 1_565 no O2 H1 C4 55.7 1_565 1_565 1_565 no O2 H1 C5 60.8 1_565 1_565 1_565 no O2 H1 C6 96.2 1_565 1_565 1_565 no O2 H1 C6 136.6 1_565 1_565 1_565 no O2 H1 C6 48.9 1_565 1_565 1_565 no O2 H1 H2 68.6 1_565 1_565 1_565 no O2 H1 H3 73.5 1_565 1_565 1_565 no O2 H1 H3 48.2 1_565 1_565 1_565 no O2 H1 H4 93.4 1_565 1_565 1_565 no O2 H1 H4 132.3 1_565 1_565 1_565 no O2 H1 H4 34.6 1_565 1_565 1_565 no O2 H1 H5 116.1 1_565 1_565 1_565 no O2 H1 H5 125.8 1_565 1_565 1_565 no O2 H1 H5 57.2 1_565 1_565 1_565 no O2 H1 H5 87.6 1_565 1_565 1_565 no O2 H1 H10 156.1 1_565 1_565 1_565 no O2 H1 H10 106.5 1_565 1_565 1_565 no O2 H1 H10 46.3 1_565 1_565 1_565 no O3 H1 O4 98.7 4 4 4 no O3 H1 O4 48.7 4 4 4 no O3 H1 O4 98.7 4 4 4 no O3 H1 N1 157.4 4 4 4 no O3 H1 N2 116.9 4 4 4 no O3 H1 N2 64.8 4 4 4 no O3 H1 N2 64.8 4 4 4 no O3 H1 N3 117.0 4 4 4 no O3 H1 N3 24.0 4 4 4 no O3 H1 N3 117.0 4 4 4 no O3 H1 C1 137.0 4 4 4 no O3 H1 C2 104.2 4 4 4 no O3 H1 C2 69.3 4 4 4 no O3 H1 C2 69.3 4 4 4 no O3 H1 C3 139.5 4 4 4 no O3 H1 C4 170.6 4 4 4 no O3 H1 C5 157.3 4 4 4 no O3 H1 C6 71.4 4 4 4 no O3 H1 C6 90.6 4 4 4 no O3 H1 C6 90.6 4 4 4 no O3 H1 H2 137.8 4 4 4 no O3 H1 H3 154.1 4 4 4 no O3 H1 H3 154.1 4 4 4 no O3 H1 H4 76.4 4 4 4 no O3 H1 H4 100.6 4 4 4 no O3 H1 H4 100.6 4 4 4 no O3 H1 H5 62.2 4 4 4 no O3 H1 H5 93.3 4 4 4 no O3 H1 H5 93.3 4 4 4 no O3 H1 H5 62.2 4 4 4 no O3 H1 H10 77.7 4 4 4 no O3 H1 H10 67.4 4 4 4 no O3 H1 H10 77.7 4 4 4 no O4 H1 O4 117.0 . . . no O4 H1 O4 120.5 . . . no O4 H1 N1 71.3 . . . no O4 H1 N2 60.7 . . . no O4 H1 N2 46.5 . . . no O4 H1 N2 151.5 . . . no O4 H1 N3 18.7 . . . no O4 H1 N3 109.3 . . . no O4 H1 N3 117.4 . . . no O4 H1 C1 64.4 . . . no O4 H1 C2 60.3 . . . no O4 H1 C2 61.4 . . . no O4 H1 C2 167.8 . . . no O4 H1 C3 65.1 . . . no O4 H1 C4 76.9 . . . no O4 H1 C5 92.5 . . . no O4 H1 C6 66.4 . . . no O4 H1 C6 61.9 . . . no O4 H1 C6 169.7 . . . no O4 H1 H2 101.9 . . . no O4 H1 H3 80.7 . . . no O4 H1 H3 104.0 . . . no O4 H1 H4 64.9 . . . no O4 H1 H4 50.6 . . . no O4 H1 H4 159.9 . . . no O4 H1 H5 54.7 . . . no O4 H1 H5 75.1 . . . no O4 H1 H5 158.1 . . . no O4 H1 H5 85.9 . . . no O4 H1 H10 30.9 . . . no O4 H1 H10 119.6 . . . no O4 H1 H10 146.1 . . . no O4 H1 O4 117.0 4 4 4 no O4 H1 N1 153.9 4 4 4 no O4 H1 N2 165.7 4 4 4 no O4 H1 N2 70.7 4 4 4 no O4 H1 N2 70.7 4 4 4 no O4 H1 N3 125.3 4 4 4 no O4 H1 N3 24.7 4 4 4 no O4 H1 N3 125.3 4 4 4 no O4 H1 C1 174.3 4 4 4 no O4 H1 C2 152.9 4 4 4 no O4 H1 C2 57.0 4 4 4 no O4 H1 C2 57.0 4 4 4 no O4 H1 C3 171.8 4 4 4 no O4 H1 C4 140.7 4 4 4 no O4 H1 C5 108.6 4 4 4 no O4 H1 C6 120.1 4 4 4 no O4 H1 C6 66.2 4 4 4 no O4 H1 C6 66.2 4 4 4 no O4 H1 H2 89.1 4 4 4 no O4 H1 H3 108.3 4 4 4 no O4 H1 H3 108.3 4 4 4 no O4 H1 H4 125.1 4 4 4 no O4 H1 H4 80.5 4 4 4 no O4 H1 H4 80.5 4 4 4 no O4 H1 H5 108.6 4 4 4 no O4 H1 H5 59.3 4 4 4 no O4 H1 H5 59.3 4 4 4 no O4 H1 H5 108.6 4 4 4 no O4 H1 H10 86.1 4 4 4 no O4 H1 H10 18.7 4 4 4 no O4 H1 H10 86.1 4 4 4 no O4 H1 N1 71.3 1_565 1_565 1_565 no O4 H1 N2 60.7 1_565 1_565 1_565 no O4 H1 N2 151.5 1_565 1_565 1_565 no O4 H1 N2 46.5 1_565 1_565 1_565 no O4 H1 N3 117.4 1_565 1_565 1_565 no O4 H1 N3 109.3 1_565 1_565 1_565 no O4 H1 N3 18.7 1_565 1_565 1_565 no O4 H1 C1 64.4 1_565 1_565 1_565 no O4 H1 C2 60.3 1_565 1_565 1_565 no O4 H1 C2 167.8 1_565 1_565 1_565 no O4 H1 C2 61.4 1_565 1_565 1_565 no O4 H1 C3 65.1 1_565 1_565 1_565 no O4 H1 C4 76.9 1_565 1_565 1_565 no O4 H1 C5 92.5 1_565 1_565 1_565 no O4 H1 C6 66.4 1_565 1_565 1_565 no O4 H1 C6 169.7 1_565 1_565 1_565 no O4 H1 C6 61.9 1_565 1_565 1_565 no O4 H1 H2 101.9 1_565 1_565 1_565 no O4 H1 H3 104.0 1_565 1_565 1_565 no O4 H1 H3 80.7 1_565 1_565 1_565 no O4 H1 H4 64.9 1_565 1_565 1_565 no O4 H1 H4 159.9 1_565 1_565 1_565 no O4 H1 H4 50.6 1_565 1_565 1_565 no O4 H1 H5 85.9 1_565 1_565 1_565 no O4 H1 H5 158.1 1_565 1_565 1_565 no O4 H1 H5 75.1 1_565 1_565 1_565 no O4 H1 H5 54.7 1_565 1_565 1_565 no O4 H1 H10 146.1 1_565 1_565 1_565 no O4 H1 H10 119.6 1_565 1_565 1_565 no O4 H1 H10 30.9 1_565 1_565 1_565 no N1 H1 N2 40.5 . . . no N1 H1 N2 114.7 . . . no N1 H1 N2 114.7 . . . no N1 H1 N3 55.8 . . . no N1 H1 N3 178.6 . . . no N1 H1 N3 55.8 . . . no N1 H1 C1 20.5 . . . no N1 H1 C2 53.2 . . . no N1 H1 C2 119.0 . . . no N1 H1 C2 119.0 . . . no N1 H1 C3 17.9 . . . no N1 H1 C4 13.2 . . . no N1 H1 C5 45.3 . . . no N1 H1 C6 86.0 . . . no N1 H1 C6 101.5 . . . no N1 H1 C6 101.5 . . . no N1 H1 H2 64.8 . . . no N1 H1 H3 46.6 . . . no N1 H1 H3 46.6 . . . no N1 H1 H4 81.0 . . . no N1 H1 H4 88.6 . . . no N1 H1 H4 88.6 . . . no N1 H1 H5 96.3 . . . no N1 H1 H5 103.1 . . . no N1 H1 H5 103.1 . . . no N1 H1 H5 96.3 . . . no N1 H1 H10 99.2 . . . no N1 H1 H10 135.2 . . . no N1 H1 H10 99.2 . . . no N2 H1 N2 104.6 . . . no N2 H1 N2 104.6 . . . no N2 H1 N3 57.6 . . . no N2 H1 N3 141.0 . . . no N2 H1 N3 57.6 . . . no N2 H1 C1 20.0 . . . no N2 H1 C2 12.7 . . . no N2 H1 C2 122.0 . . . no N2 H1 C2 122.0 . . . no N2 H1 C3 22.6 . . . no N2 H1 C4 53.7 . . . no N2 H1 C5 85.8 . . . no N2 H1 C6 45.6 . . . no N2 H1 C6 118.8 . . . no N2 H1 C6 118.8 . . . no N2 H1 H2 105.3 . . . no N2 H1 H3 85.6 . . . no N2 H1 H3 85.6 . . . no N2 H1 H4 40.5 . . . no N2 H1 H4 104.8 . . . no N2 H1 H4 104.8 . . . no N2 H1 H5 57.8 . . . no N2 H1 H5 128.6 . . . no N2 H1 H5 128.6 . . . no N2 H1 H5 57.8 . . . no N2 H1 H10 90.5 . . . no N2 H1 H10 175.7 . . . no N2 H1 H10 90.5 . . . no N2 H1 N2 129.0 4 4 4 no N2 H1 N3 59.1 4 4 4 no N2 H1 N3 65.5 4 4 4 no N2 H1 N3 161.6 4 4 4 no N2 H1 C1 110.9 4 4 4 no N2 H1 C2 99.7 4 4 4 no N2 H1 C2 20.8 4 4 4 no N2 H1 C2 125.4 4 4 4 no N2 H1 C3 111.5 4 4 4 no N2 H1 C4 115.5 4 4 4 no N2 H1 C5 111.5 4 4 4 no N2 H1 C6 85.8 4 4 4 no N2 H1 C6 38.0 4 4 4 no N2 H1 C6 136.4 4 4 4 no N2 H1 H2 105.7 4 4 4 no N2 H1 H3 98.5 4 4 4 no N2 H1 H3 124.6 4 4 4 no N2 H1 H4 88.0 4 4 4 no N2 H1 H4 40.1 4 4 4 no N2 H1 H4 150.6 4 4 4 no N2 H1 H5 66.0 4 4 4 no N2 H1 H5 50.2 4 4 4 no N2 H1 H5 126.3 4 4 4 no N2 H1 H5 96.9 4 4 4 no N2 H1 H10 15.9 4 4 4 no N2 H1 H10 77.0 4 4 4 no N2 H1 H10 142.5 4 4 4 no N2 H1 N3 161.6 4_565 4_565 4_565 no N2 H1 N3 65.5 4_565 4_565 4_565 no N2 H1 N3 59.1 4_565 4_565 4_565 no N2 H1 C1 110.9 4_565 4_565 4_565 no N2 H1 C2 99.7 4_565 4_565 4_565 no N2 H1 C2 125.4 4_565 4_565 4_565 no N2 H1 C2 20.8 4_565 4_565 4_565 no N2 H1 C3 111.5 4_565 4_565 4_565 no N2 H1 C4 115.5 4_565 4_565 4_565 no N2 H1 C5 111.5 4_565 4_565 4_565 no N2 H1 C6 85.8 4_565 4_565 4_565 no N2 H1 C6 136.4 4_565 4_565 4_565 no N2 H1 C6 38.0 4_565 4_565 4_565 no N2 H1 H2 105.7 4_565 4_565 4_565 no N2 H1 H3 124.6 4_565 4_565 4_565 no N2 H1 H3 98.5 4_565 4_565 4_565 no N2 H1 H4 88.0 4_565 4_565 4_565 no N2 H1 H4 150.6 4_565 4_565 4_565 no N2 H1 H4 40.1 4_565 4_565 4_565 no N2 H1 H5 96.9 4_565 4_565 4_565 no N2 H1 H5 126.3 4_565 4_565 4_565 no N2 H1 H5 50.2 4_565 4_565 4_565 no N2 H1 H5 66.0 4_565 4_565 4_565 no N2 H1 H10 142.5 4_565 4_565 4_565 no N2 H1 H10 77.0 4_565 4_565 4_565 no N2 H1 H10 15.9 4_565 4_565 4_565 no N3 H1 N3 124.5 . . . no N3 H1 N3 108.2 . . . no N3 H1 C1 54.2 . . . no N3 H1 C2 61.9 . . . no N3 H1 C2 68.6 . . . no N3 H1 C2 173.5 . . . no N3 H1 C3 54.1 . . . no N3 H1 C4 59.4 . . . no N3 H1 C5 74.0 . . . no N3 H1 C6 78.1 . . . no N3 H1 C6 61.2 . . . no N3 H1 C6 151.2 . . . no N3 H1 H2 85.0 . . . no N3 H1 H3 62.7 . . . no N3 H1 H3 85.2 . . . no N3 H1 H4 75.3 . . . no N3 H1 H4 47.4 . . . no N3 H1 H4 142.3 . . . no N3 H1 H5 70.5 . . . no N3 H1 H5 72.0 . . . no N3 H1 H5 142.8 . . . no N3 H1 H5 98.0 . . . no N3 H1 H10 43.4 . . . no N3 H1 H10 121.1 . . . no N3 H1 H10 148.0 . . . no N3 H1 N3 124.5 4 4 4 no N3 H1 C1 161.0 4 4 4 no N3 H1 C2 128.3 4 4 4 no N3 H1 C2 60.6 4 4 4 no N3 H1 C2 60.6 4 4 4 no N3 H1 C3 163.6 4 4 4 no N3 H1 C4 165.4 4 4 4 no N3 H1 C5 133.3 4 4 4 no N3 H1 C6 95.4 4 4 4 no N3 H1 C6 77.7 4 4 4 no N3 H1 C6 77.7 4 4 4 no N3 H1 H2 113.7 4 4 4 no N3 H1 H3 132.1 4 4 4 no N3 H1 H3 132.1 4 4 4 no N3 H1 H4 100.5 4 4 4 no N3 H1 H4 90.8 4 4 4 no N3 H1 H4 90.8 4 4 4 no N3 H1 H5 85.1 4 4 4 no N3 H1 H5 75.8 4 4 4 no N3 H1 H5 75.8 4 4 4 no N3 H1 H5 85.1 4 4 4 no N3 H1 H10 81.1 4 4 4 no N3 H1 H10 43.3 4 4 4 no N3 H1 H10 81.1 4 4 4 no N3 H1 C1 54.2 1_565 1_565 1_565 no N3 H1 C2 61.9 1_565 1_565 1_565 no N3 H1 C2 173.5 1_565 1_565 1_565 no N3 H1 C2 68.6 1_565 1_565 1_565 no N3 H1 C3 54.1 1_565 1_565 1_565 no N3 H1 C4 59.4 1_565 1_565 1_565 no N3 H1 C5 74.0 1_565 1_565 1_565 no N3 H1 C6 78.1 1_565 1_565 1_565 no N3 H1 C6 151.2 1_565 1_565 1_565 no N3 H1 C6 61.2 1_565 1_565 1_565 no N3 H1 H2 85.0 1_565 1_565 1_565 no N3 H1 H3 85.2 1_565 1_565 1_565 no N3 H1 H3 62.7 1_565 1_565 1_565 no N3 H1 H4 75.3 1_565 1_565 1_565 no N3 H1 H4 142.3 1_565 1_565 1_565 no N3 H1 H4 47.4 1_565 1_565 1_565 no N3 H1 H5 98.0 1_565 1_565 1_565 no N3 H1 H5 142.8 1_565 1_565 1_565 no N3 H1 H5 72.0 1_565 1_565 1_565 no N3 H1 H5 70.5 1_565 1_565 1_565 no N3 H1 H10 148.0 1_565 1_565 1_565 no N3 H1 H10 121.1 1_565 1_565 1_565 no N3 H1 H10 43.4 1_565 1_565 1_565 no C1 H1 C2 32.7 . . . no C1 H1 C2 122.7 . . . no C1 H1 C2 122.7 . . . no C1 H1 C3 2.6 . . . no C1 H1 C4 33.6 . . . no C1 H1 C5 65.7 . . . no C1 H1 C6 65.6 . . . no C1 H1 C6 111.4 . . . no C1 H1 C6 111.4 . . . no C1 H1 H2 85.3 . . . no C1 H1 H3 66.2 . . . no C1 H1 H3 66.2 . . . no C1 H1 H4 60.5 . . . no C1 H1 H4 97.2 . . . no C1 H1 H4 97.2 . . . no C1 H1 H5 76.7 . . . no C1 H1 H5 117.1 . . . no C1 H1 H5 117.1 . . . no C1 H1 H5 76.7 . . . no C1 H1 H10 95.1 . . . no C1 H1 H10 155.7 . . . no C1 H1 H10 95.1 . . . no C2 H1 C2 119.2 . . . no C2 H1 C2 119.2 . . . no C2 H1 C3 35.3 . . . no C2 H1 C4 66.4 . . . no C2 H1 C5 98.5 . . . no C2 H1 C6 32.8 . . . no C2 H1 C6 121.8 . . . no C2 H1 C6 121.8 . . . no C2 H1 H2 118.0 . . . no C2 H1 H3 98.0 . . . no C2 H1 H3 98.0 . . . no C2 H1 H4 27.8 . . . no C2 H1 H4 108.9 . . . no C2 H1 H4 108.9 . . . no C2 H1 H5 46.0 . . . no C2 H1 H5 133.8 . . . no C2 H1 H5 133.8 . . . no C2 H1 H5 46.0 . . . no C2 H1 H10 87.6 . . . no C2 H1 H10 171.6 . . . no C2 H1 H10 87.6 . . . no C2 H1 C2 114.0 4 4 4 no C2 H1 C3 122.5 4 4 4 no C2 H1 C4 114.6 4 4 4 no C2 H1 C5 99.6 4 4 4 no C2 H1 C6 106.2 4 4 4 no C2 H1 C6 22.3 4 4 4 no C2 H1 C6 118.7 4 4 4 no C2 H1 H2 89.0 4 4 4 no C2 H1 H3 88.3 4 4 4 no C2 H1 H3 111.0 4 4 4 no C2 H1 H4 108.6 4 4 4 no C2 H1 H4 31.5 4 4 4 no C2 H1 H4 131.9 4 4 4 no C2 H1 H5 86.3 4 4 4 no C2 H1 H5 31.4 4 4 4 no C2 H1 H5 106.9 4 4 4 no C2 H1 H5 115.2 4 4 4 no C2 H1 H10 31.8 4 4 4 no C2 H1 H10 58.8 4 4 4 no C2 H1 H10 141.3 4 4 4 no C2 H1 C3 122.5 4_565 4_565 4_565 no C2 H1 C4 114.6 4_565 4_565 4_565 no C2 H1 C5 99.6 4_565 4_565 4_565 no C2 H1 C6 106.2 4_565 4_565 4_565 no C2 H1 C6 118.7 4_565 4_565 4_565 no C2 H1 C6 22.3 4_565 4_565 4_565 no C2 H1 H2 89.0 4_565 4_565 4_565 no C2 H1 H3 111.0 4_565 4_565 4_565 no C2 H1 H3 88.3 4_565 4_565 4_565 no C2 H1 H4 108.6 4_565 4_565 4_565 no C2 H1 H4 131.9 4_565 4_565 4_565 no C2 H1 H4 31.5 4_565 4_565 4_565 no C2 H1 H5 115.2 4_565 4_565 4_565 no C2 H1 H5 106.9 4_565 4_565 4_565 no C2 H1 H5 31.4 4_565 4_565 4_565 no C2 H1 H5 86.3 4_565 4_565 4_565 no C2 H1 H10 141.3 4_565 4_565 4_565 no C2 H1 H10 58.8 4_565 4_565 4_565 no C2 H1 H10 31.8 4_565 4_565 4_565 no C3 H1 C4 31.1 . . . no C3 H1 C5 63.2 . . . no C3 H1 C6 68.1 . . . no C3 H1 C6 110.3 . . . no C3 H1 C6 110.3 . . . no C3 H1 H2 82.7 . . . no C3 H1 H3 63.7 . . . no C3 H1 H3 63.7 . . . no C3 H1 H4 63.1 . . . no C3 H1 H4 96.1 . . . no C3 H1 H4 96.1 . . . no C3 H1 H5 79.2 . . . no C3 H1 H5 115.4 . . . no C3 H1 H5 115.4 . . . no C3 H1 H5 79.2 . . . no C3 H1 H10 95.7 . . . no C3 H1 H10 153.1 . . . no C3 H1 H10 95.7 . . . no C4 H1 C5 32.1 . . . no C4 H1 C6 99.2 . . . no C4 H1 C6 94.5 . . . no C4 H1 C6 94.5 . . . no C4 H1 H2 51.6 . . . no C4 H1 H3 34.3 . . . no C4 H1 H3 34.3 . . . no C4 H1 H4 94.2 . . . no C4 H1 H4 83.1 . . . no C4 H1 H4 83.1 . . . no C4 H1 H5 108.9 . . . no C4 H1 H5 93.6 . . . no C4 H1 H5 93.6 . . . no C4 H1 H5 108.9 . . . no C4 H1 H10 101.2 . . . no C4 H1 H10 122.0 . . . no C4 H1 H10 101.2 . . . no C5 H1 C6 131.3 . . . no C5 H1 C6 77.3 . . . no C5 H1 C6 77.3 . . . no C5 H1 H2 19.5 . . . no C5 H1 H3 13.4 . . . no C5 H1 H3 13.4 . . . no C5 H1 H4 126.3 . . . no C5 H1 H4 71.5 . . . no C5 H1 H4 71.5 . . . no C5 H1 H5 138.8 . . . no C5 H1 H5 70.5 . . . no C5 H1 H5 70.5 . . . no C5 H1 H5 138.8 . . . no C5 H1 H10 103.6 . . . no C5 H1 H10 89.9 . . . no C5 H1 H10 103.6 . . . no C6 H1 C6 121.4 . . . no C6 H1 C6 121.4 . . . no C6 H1 H2 150.9 . . . no C6 H1 H3 129.7 . . . no C6 H1 H3 129.7 . . . no C6 H1 H4 5.0 . . . no C6 H1 H4 114.8 . . . no C6 H1 H4 114.8 . . . no C6 H1 H5 19.9 . . . no C6 H1 H5 135.2 . . . no C6 H1 H5 135.2 . . . no C6 H1 H5 19.9 . . . no C6 H1 H10 80.8 . . . no C6 H1 H10 138.8 . . . no C6 H1 H10 80.8 . . . no C6 H1 C6 113.8 4 4 4 no C6 H1 H2 68.0 4 4 4 no C6 H1 H3 66.0 4 4 4 no C6 H1 H3 89.0 4 4 4 no C6 H1 H4 122.2 4 4 4 no C6 H1 H4 14.3 4 4 4 no C6 H1 H4 123.3 4 4 4 no C6 H1 H5 102.5 4 4 4 no C6 H1 H5 14.1 4 4 4 no C6 H1 H5 100.0 4 4 4 no C6 H1 H5 134.9 4 4 4 no C6 H1 H10 40.6 4 4 4 no C6 H1 H10 60.0 4 4 4 no C6 H1 H10 150.5 4 4 4 no C6 H1 H2 68.0 4_565 4_565 4_565 no C6 H1 H3 89.0 4_565 4_565 4_565 no C6 H1 H3 66.0 4_565 4_565 4_565 no C6 H1 H4 122.2 4_565 4_565 4_565 no C6 H1 H4 123.3 4_565 4_565 4_565 no C6 H1 H4 14.3 4_565 4_565 4_565 no C6 H1 H5 134.9 4_565 4_565 4_565 no C6 H1 H5 100.0 4_565 4_565 4_565 no C6 H1 H5 14.1 4_565 4_565 4_565 no C6 H1 H5 102.5 4_565 4_565 4_565 no C6 H1 H10 150.5 4_565 4_565 4_565 no C6 H1 H10 60.0 4_565 4_565 4_565 no C6 H1 H10 40.6 4_565 4_565 4_565 no H2 H1 H3 23.8 . . . no H2 H1 H3 23.8 . . . no H2 H1 H4 145.8 . . . no H2 H1 H4 66.9 . . . no H2 H1 H4 66.9 . . . no H2 H1 H5 155.0 . . . no H2 H1 H5 57.8 . . . no H2 H1 H5 57.8 . . . no H2 H1 H5 155.0 . . . no H2 H1 H10 102.9 . . . no H2 H1 H10 70.4 . . . no H2 H1 H10 102.9 . . . no H3 H1 H3 26.8 . . . no H3 H1 H4 124.9 . . . no H3 H1 H4 58.8 . . . no H3 H1 H4 84.4 . . . no H3 H1 H5 131.4 . . . no H3 H1 H5 61.3 . . . no H3 H1 H5 80.6 . . . no H3 H1 H5 142.8 . . . no H3 H1 H10 90.1 . . . no H3 H1 H10 90.2 . . . no H3 H1 H10 117.0 . . . no H3 H1 H4 124.9 7 7 7 no H3 H1 H4 84.4 7 7 7 no H3 H1 H4 58.8 7 7 7 no H3 H1 H5 142.8 7 7 7 no H3 H1 H5 80.6 7 7 7 no H3 H1 H5 61.3 7 7 7 no H3 H1 H5 131.4 7 7 7 no H3 H1 H10 117.0 7 7 7 no H3 H1 H10 90.2 7 7 7 no H3 H1 H10 90.1 7 7 7 no H4 H1 H4 114.4 . . . no H4 H1 H4 114.4 . . . no H4 H1 H5 22.9 . . . no H4 H1 H5 136.2 . . . no H4 H1 H5 136.2 . . . no H4 H1 H5 22.9 . . . no H4 H1 H10 81.7 . . . no H4 H1 H10 143.8 . . . no H4 H1 H10 81.7 . . . no H4 H1 H4 129.9 4 4 4 no H4 H1 H5 98.0 4 4 4 no H4 H1 H5 25.0 4 4 4 no H4 H1 H5 109.2 4 4 4 no H4 H1 H5 132.0 4 4 4 no H4 H1 H10 36.5 4 4 4 no H4 H1 H10 73.7 4 4 4 no H4 H1 H10 163.2 4 4 4 no H4 H1 H5 132.0 4_565 4_565 4_565 no H4 H1 H5 109.2 4_565 4_565 4_565 no H4 H1 H5 25.0 4_565 4_565 4_565 no H4 H1 H5 98.0 4_565 4_565 4_565 no H4 H1 H10 163.2 4_565 4_565 4_565 no H4 H1 H10 73.7 4_565 4_565 4_565 no H4 H1 H10 36.5 4_565 4_565 4_565 no H5 H1 H5 115.9 . . . no H5 H1 H5 146.6 . . . no H5 H1 H5 33.9 . . . no H5 H1 H10 62.3 . . . no H5 H1 H10 126.3 . . . no H5 H1 H10 95.9 . . . no H5 H1 H5 86.0 4 4 4 no H5 H1 H5 146.6 4 4 4 no H5 H1 H10 54.6 4 4 4 no H5 H1 H10 49.4 4 4 4 no H5 H1 H10 138.3 4 4 4 no H5 H1 H5 115.9 6 6 6 no H5 H1 H10 138.3 6 6 6 no H5 H1 H10 49.4 6 6 6 no H5 H1 H10 54.6 6 6 6 no H5 H1 H10 95.9 7 7 7 no H5 H1 H10 126.3 7 7 7 no H5 H1 H10 62.3 7 7 7 no H10 H1 H10 90.5 4 4 4 no H10 H1 H10 152.9 4 4 4 no H10 H1 H10 90.5 1_556 1_556 1_556 no O1 H2 O2 120.9 1_556 1_556 1_556 no O1 H2 O2 120.9 1_556 1_556 1_556 no O1 H2 O4 68.7 1_556 1_556 1_556 no O1 H2 N1 172.2 1_556 1_556 1_556 no O1 H2 C1 8.9 1_556 1_556 1_556 no O1 H2 C2 143.4 1_556 1_556 1_556 no O1 H2 C3 141.1 1_556 1_556 1_556 no O1 H2 C4 174.1 1_556 1_556 1_556 no O1 H2 C5 142.2 1_556 1_556 1_556 no O1 H2 C6 74.3 1_556 1_556 1_556 no O1 H2 C6 74.3 1_556 1_556 1_556 no O1 H2 C7 150.0 1_556 1_556 1_556 no O1 H2 C11 71.2 1_556 1_556 1_556 no O1 H2 C11 71.2 1_556 1_556 1_556 no O1 H2 H1 114.4 1_556 1_556 1_556 no O1 H2 H3 117.6 1_556 1_556 1_556 no O1 H2 H3 117.6 1_556 1_556 1_556 no O1 H2 H4 88.3 1_556 1_556 1_556 no O1 H2 H4 88.3 1_556 1_556 1_556 no O1 H2 H5 62.5 1_556 1_556 1_556 no O1 H2 H5 62.5 1_556 1_556 1_556 no O1 H2 H8 73.9 1_556 1_556 1_556 no O1 H2 H8 73.9 1_556 1_556 1_556 no O1 H2 H10 39.7 1_556 1_556 1_556 no O2 H2 O2 117.9 . . . no O2 H2 O4 98.0 . . . no O2 H2 N1 59.9 . . . no O2 H2 C1 120.0 . . . no O2 H2 C2 63.8 . . . no O2 H2 C3 64.5 . . . no O2 H2 C4 58.9 . . . no O2 H2 C5 68.0 . . . no O2 H2 C6 51.0 . . . no O2 H2 C6 150.1 . . . no O2 H2 C7 65.2 . . . no O2 H2 C11 59.6 . . . no O2 H2 C11 152.4 . . . no O2 H2 H1 75.1 . . . no O2 H2 H3 50.5 . . . no O2 H2 H3 103.5 . . . no O2 H2 H4 36.0 . . . no O2 H2 H4 143.7 . . . no O2 H2 H5 62.4 . . . no O2 H2 H5 153.9 . . . no O2 H2 H8 149.1 . . . no O2 H2 H8 58.6 . . . no O2 H2 H10 111.3 . . . no O2 H2 O4 98.0 1_565 1_565 1_565 no O2 H2 N1 59.9 1_565 1_565 1_565 no O2 H2 C1 120.0 1_565 1_565 1_565 no O2 H2 C2 63.8 1_565 1_565 1_565 no O2 H2 C3 64.5 1_565 1_565 1_565 no O2 H2 C4 58.9 1_565 1_565 1_565 no O2 H2 C5 68.0 1_565 1_565 1_565 no O2 H2 C6 150.1 1_565 1_565 1_565 no O2 H2 C6 51.0 1_565 1_565 1_565 no O2 H2 C7 65.2 1_565 1_565 1_565 no O2 H2 C11 152.4 1_565 1_565 1_565 no O2 H2 C11 59.6 1_565 1_565 1_565 no O2 H2 H1 75.1 1_565 1_565 1_565 no O2 H2 H3 103.5 1_565 1_565 1_565 no O2 H2 H3 50.5 1_565 1_565 1_565 no O2 H2 H4 143.7 1_565 1_565 1_565 no O2 H2 H4 36.0 1_565 1_565 1_565 no O2 H2 H5 153.9 1_565 1_565 1_565 no O2 H2 H5 62.4 1_565 1_565 1_565 no O2 H2 H8 58.6 1_565 1_565 1_565 no O2 H2 H8 149.1 1_565 1_565 1_565 no O2 H2 H10 111.3 1_565 1_565 1_565 no O4 H2 N1 119.1 4 4 4 no O4 H2 C1 59.8 4 4 4 no O4 H2 C2 74.7 4 4 4 no O4 H2 C3 72.4 4 4 4 no O4 H2 C4 105.4 4 4 4 no O4 H2 C5 149.1 4 4 4 no O4 H2 C6 61.6 4 4 4 no O4 H2 C6 61.6 4 4 4 no O4 H2 C7 141.3 4 4 4 no O4 H2 C11 109.6 4 4 4 no O4 H2 C11 109.6 4 4 4 no O4 H2 H1 45.7 4 4 4 no O4 H2 H3 147.7 4 4 4 no O4 H2 H3 147.7 4 4 4 no O4 H2 H4 71.3 4 4 4 no O4 H2 H4 71.3 4 4 4 no O4 H2 H5 57.6 4 4 4 no O4 H2 H5 57.6 4 4 4 no O4 H2 H8 112.9 4 4 4 no O4 H2 H8 112.9 4 4 4 no O4 H2 H10 29.0 4 4 4 no N1 H2 C1 178.9 . . . no N1 H2 C2 44.4 . . . no N1 H2 C3 46.7 . . . no N1 H2 C4 13.7 . . . no N1 H2 C5 30.0 . . . no N1 H2 C6 108.9 . . . no N1 H2 C6 108.9 . . . no N1 H2 C7 22.1 . . . no N1 H2 C11 104.7 . . . no N1 H2 C11 104.7 . . . no N1 H2 H1 73.5 . . . no N1 H2 H3 56.1 . . . no N1 H2 H3 56.1 . . . no N1 H2 H4 94.3 . . . no N1 H2 H4 94.3 . . . no N1 H2 H5 120.8 . . . no N1 H2 H5 120.8 . . . no N1 H2 H8 101.7 . . . no N1 H2 H8 101.7 . . . no N1 H2 H10 148.2 . . . no C1 H2 C2 134.5 1_556 1_556 1_556 no C1 H2 C3 132.2 1_556 1_556 1_556 no C1 H2 C4 165.2 1_556 1_556 1_556 no C1 H2 C5 151.1 1_556 1_556 1_556 no C1 H2 C6 70.7 1_556 1_556 1_556 no C1 H2 C6 70.7 1_556 1_556 1_556 no C1 H2 C7 158.9 1_556 1_556 1_556 no C1 H2 C11 75.9 1_556 1_556 1_556 no C1 H2 C11 75.9 1_556 1_556 1_556 no C1 H2 H1 105.5 1_556 1_556 1_556 no C1 H2 H3 124.8 1_556 1_556 1_556 no C1 H2 H3 124.8 1_556 1_556 1_556 no C1 H2 H4 85.4 1_556 1_556 1_556 no C1 H2 H4 85.4 1_556 1_556 1_556 no C1 H2 H5 58.8 1_556 1_556 1_556 no C1 H2 H5 58.8 1_556 1_556 1_556 no C1 H2 H8 78.9 1_556 1_556 1_556 no C1 H2 H8 78.9 1_556 1_556 1_556 no C1 H2 H10 30.8 1_556 1_556 1_556 no C2 H2 C3 2.3 . . . no C2 H2 C4 30.7 . . . no C2 H2 C5 74.4 . . . no C2 H2 C6 88.6 . . . no C2 H2 C6 88.6 . . . no C2 H2 C7 66.6 . . . no C2 H2 C11 123.3 . . . no C2 H2 C11 123.3 . . . no C2 H2 H1 29.0 . . . no C2 H2 H3 93.5 . . . no C2 H2 H3 93.5 . . . no C2 H2 H4 80.0 . . . no C2 H2 H4 80.0 . . . no C2 H2 H5 97.8 . . . no C2 H2 H5 97.8 . . . no C2 H2 H8 122.4 . . . no C2 H2 H8 122.4 . . . no C2 H2 H10 103.7 . . . no C3 H2 C4 33.0 . . . no C3 H2 C5 76.7 . . . no C3 H2 C6 87.5 . . . no C3 H2 C6 87.5 . . . no C3 H2 C7 68.9 . . . no C3 H2 C11 123.8 . . . no C3 H2 C11 123.8 . . . no C3 H2 H1 26.7 . . . no C3 H2 H3 95.5 . . . no C3 H2 H3 95.5 . . . no C3 H2 H4 79.3 . . . no C3 H2 H4 79.3 . . . no C3 H2 H5 96.4 . . . no C3 H2 H5 96.4 . . . no C3 H2 H8 123.1 . . . no C3 H2 H8 123.1 . . . no C3 H2 H10 101.4 . . . no C4 H2 C5 43.7 . . . no C4 H2 C6 103.2 . . . no C4 H2 C6 103.2 . . . no C4 H2 C7 35.8 . . . no C4 H2 C11 111.7 . . . no C4 H2 C11 111.7 . . . no C4 H2 H1 59.8 . . . no C4 H2 H3 67.2 . . . no C4 H2 H3 67.2 . . . no C4 H2 H4 89.8 . . . no C4 H2 H4 89.8 . . . no C4 H2 H5 114.8 . . . no C4 H2 H5 114.8 . . . no C4 H2 H8 109.2 . . . no C4 H2 H8 109.2 . . . no C4 H2 H10 134.5 . . . no C5 H2 C6 117.5 . . . no C5 H2 C6 117.5 . . . no C5 H2 C7 7.8 . . . no C5 H2 C11 87.5 . . . no C5 H2 C11 87.5 . . . no C5 H2 H1 103.4 . . . no C5 H2 H3 35.8 . . . no C5 H2 H3 35.8 . . . no C5 H2 H4 103.2 . . . no C5 H2 H4 103.2 . . . no C5 H2 H5 127.4 . . . no C5 H2 H5 127.4 . . . no C5 H2 H8 84.1 . . . no C5 H2 H8 84.1 . . . no C5 H2 H10 178.1 . . . no C6 H2 C6 121.7 4 4 4 no C6 H2 C7 115.9 4 4 4 no C6 H2 C11 53.1 4 4 4 no C6 H2 C11 145.0 4 4 4 no C6 H2 H1 75.1 4 4 4 no C6 H2 H3 88.6 4 4 4 no C6 H2 H3 149.6 4 4 4 no C6 H2 H4 15.0 4 4 4 no C6 H2 H4 132.9 4 4 4 no C6 H2 H5 11.9 4 4 4 no C6 H2 H5 114.1 4 4 4 no C6 H2 H8 147.2 4 4 4 no C6 H2 H8 55.6 4 4 4 no C6 H2 H10 62.2 4 4 4 no C6 H2 C7 115.9 4_565 4_565 4_565 no C6 H2 C11 145.0 4_565 4_565 4_565 no C6 H2 C11 53.1 4_565 4_565 4_565 no C6 H2 H1 75.1 4_565 4_565 4_565 no C6 H2 H3 149.6 4_565 4_565 4_565 no C6 H2 H3 88.6 4_565 4_565 4_565 no C6 H2 H4 132.9 4_565 4_565 4_565 no C6 H2 H4 15.0 4_565 4_565 4_565 no C6 H2 H5 114.1 4_565 4_565 4_565 no C6 H2 H5 11.9 4_565 4_565 4_565 no C6 H2 H8 55.6 4_565 4_565 4_565 no C6 H2 H8 147.2 4_565 4_565 4_565 no C6 H2 H10 62.2 4_565 4_565 4_565 no C7 H2 C11 92.1 . . . no C7 H2 C11 92.1 . . . no C7 H2 H1 95.6 . . . no C7 H2 H3 40.2 . . . no C7 H2 H3 40.2 . . . no C7 H2 H4 101.1 . . . no C7 H2 H4 101.1 . . . no C7 H2 H5 126.7 . . . no C7 H2 H5 126.7 . . . no C7 H2 H8 88.7 . . . no C7 H2 H8 88.7 . . . no C7 H2 H10 170.3 . . . no C11 H2 C11 108.7 3_646 3_646 3_646 no C11 H2 H1 125.1 3_646 3_646 3_646 no C11 H2 H3 52.0 3_646 3_646 3_646 no C11 H2 H3 102.1 3_646 3_646 3_646 no C11 H2 H4 52.1 3_646 3_646 3_646 no C11 H2 H4 156.6 3_646 3_646 3_646 no C11 H2 H5 52.9 3_646 3_646 3_646 no C11 H2 H5 133.4 3_646 3_646 3_646 no C11 H2 H8 108.0 3_646 3_646 3_646 no C11 H2 H8 3.5 3_646 3_646 3_646 no C11 H2 H10 93.5 3_646 3_646 3_646 no C11 H2 H1 125.1 3_656 3_656 3_656 no C11 H2 H3 102.1 3_656 3_656 3_656 no C11 H2 H3 52.0 3_656 3_656 3_656 no C11 H2 H4 156.6 3_656 3_656 3_656 no C11 H2 H4 52.1 3_656 3_656 3_656 no C11 H2 H5 133.4 3_656 3_656 3_656 no C11 H2 H5 52.9 3_656 3_656 3_656 no C11 H2 H8 3.5 3_656 3_656 3_656 no C11 H2 H8 108.0 3_656 3_656 3_656 no C11 H2 H10 93.5 3_656 3_656 3_656 no H1 H2 H3 118.1 . . . no H1 H2 H3 118.1 . . . no H1 H2 H4 73.1 . . . no H1 H2 H4 73.1 . . . no H1 H2 H5 80.3 . . . no H1 H2 H5 80.3 . . . no H1 H2 H8 126.4 . . . no H1 H2 H8 126.4 . . . no H1 H2 H10 74.7 . . . no H3 H2 H3 61.0 . . . no H3 H2 H4 77.1 . . . no H3 H2 H4 137.2 . . . no H3 H2 H5 95.6 . . . no H3 H2 H5 154.7 . . . no H3 H2 H8 98.9 . . . no H3 H2 H8 48.6 . . . no H3 H2 H10 145.1 . . . no H3 H2 H4 137.2 7 7 7 no H3 H2 H4 77.1 7 7 7 no H3 H2 H5 154.7 7 7 7 no H3 H2 H5 95.6 7 7 7 no H3 H2 H8 48.6 7 7 7 no H3 H2 H8 98.9 7 7 7 no H3 H2 H10 145.1 7 7 7 no H4 H2 H4 141.0 4 4 4 no H4 H2 H5 26.7 4 4 4 no H4 H2 H5 127.1 4 4 4 no H4 H2 H8 157.7 4 4 4 no H4 H2 H8 53.7 4 4 4 no H4 H2 H10 76.4 4 4 4 no H4 H2 H5 127.1 4_565 4_565 4_565 no H4 H2 H5 26.7 4_565 4_565 4_565 no H4 H2 H8 53.7 4_565 4_565 4_565 no H4 H2 H8 157.7 4_565 4_565 4_565 no H4 H2 H10 76.4 4_565 4_565 4_565 no H5 H2 H5 105.2 4 4 4 no H5 H2 H8 135.9 4 4 4 no H5 H2 H8 56.0 4 4 4 no H5 H2 H10 52.6 4 4 4 no H5 H2 H8 56.0 6 6 6 no H5 H2 H8 135.9 6 6 6 no H5 H2 H10 52.6 6 6 6 no H8 H2 H8 107.1 3_656 3_656 3_656 no H8 H2 H10 97.0 3_656 3_656 3_656 no H8 H2 H10 97.0 5_656 5_656 5_656 no O1 H3 O2 114.1 1_556 1_556 1_556 no O1 H3 N1 135.1 1_556 1_556 1_556 no O1 H3 N3 120.1 1_556 1_556 1_556 no O1 H3 C3 92.2 1_556 1_556 1_556 no O1 H3 C4 107.0 1_556 1_556 1_556 no O1 H3 C5 70.8 1_556 1_556 1_556 no O1 H3 C6 61.7 1_556 1_556 1_556 no O1 H3 C7 150.9 1_556 1_556 1_556 no O1 H3 C8 168.5 1_556 1_556 1_556 no O1 H3 C8 133.0 1_556 1_556 1_556 no O1 H3 C9 151.6 1_556 1_556 1_556 no O1 H3 C9 82.2 1_556 1_556 1_556 no O1 H3 C10 82.1 1_556 1_556 1_556 no O1 H3 C11 70.7 1_556 1_556 1_556 no O1 H3 H1 73.6 1_556 1_556 1_556 no O1 H3 H2 39.9 1_556 1_556 1_556 no O1 H3 H3 77.4 1_556 1_556 1_556 no O1 H3 H4 74.0 1_556 1_556 1_556 no O1 H3 H5 48.7 1_556 1_556 1_556 no O1 H3 H6 168.7 1_556 1_556 1_556 no O1 H3 H6 121.9 1_556 1_556 1_556 no O1 H3 H7 68.2 1_556 1_556 1_556 no O1 H3 H7 74.4 1_556 1_556 1_556 no O1 H3 H8 80.5 1_556 1_556 1_556 no O1 H3 H8 56.3 1_556 1_556 1_556 no O1 H3 H8 66.0 1_556 1_556 1_556 no O1 H3 H9 58.4 1_556 1_556 1_556 no O2 H3 N1 75.8 . . . no O2 H3 N3 15.1 . . . no O2 H3 C3 70.2 . . . no O2 H3 C4 76.8 . . . no O2 H3 C5 113.5 . . . no O2 H3 C6 52.5 . . . no O2 H3 C7 88.8 . . . no O2 H3 C8 76.3 . . . no O2 H3 C8 109.1 . . . no O2 H3 C9 88.1 . . . no O2 H3 C9 106.3 . . . no O2 H3 C10 87.5 . . . no O2 H3 C11 75.6 . . . no O2 H3 H1 74.4 . . . no O2 H3 H2 106.0 . . . no O2 H3 H3 143.6 . . . no O2 H3 H4 40.1 . . . no O2 H3 H5 65.5 . . . no O2 H3 H6 58.4 . . . no O2 H3 H6 114.8 . . . no O2 H3 H7 158.2 . . . no O2 H3 H7 118.5 . . . no O2 H3 H8 60.7 . . . no O2 H3 H8 161.3 . . . no O2 H3 H8 77.6 . . . no O2 H3 H9 81.6 . . . no N1 H3 N3 61.3 . . . no N1 H3 C3 48.1 . . . no N1 H3 C4 29.6 . . . no N1 H3 C5 65.6 . . . no N1 H3 C6 114.2 . . . no N1 H3 C7 30.7 . . . no N1 H3 C8 50.2 . . . no N1 H3 C8 43.0 . . . no N1 H3 C9 65.2 . . . no N1 H3 C9 139.4 . . . no N1 H3 C10 142.7 . . . no N1 H3 C11 148.1 . . . no N1 H3 H1 67.3 . . . no N1 H3 H2 95.4 . . . no N1 H3 H3 73.0 . . . no N1 H3 H4 105.1 . . . no N1 H3 H5 121.2 . . . no N1 H3 H6 54.0 . . . no N1 H3 H6 41.5 . . . no N1 H3 H7 118.9 . . . no N1 H3 H7 141.9 . . . no N1 H3 H8 133.8 . . . no N1 H3 H8 99.8 . . . no N1 H3 H8 151.7 . . . no N1 H3 H9 157.1 . . . no N3 H3 C3 57.8 . . . no N3 H3 C4 62.1 . . . no N3 H3 C5 101.4 . . . no N3 H3 C6 61.1 . . . no N3 H3 C7 78.2 . . . no N3 H3 C8 71.2 . . . no N3 H3 C8 98.0 . . . no N3 H3 C9 86.0 . . . no N3 H3 C9 119.8 . . . no N3 H3 C10 102.0 . . . no N3 H3 C11 90.7 . . . no N3 H3 H1 65.8 . . . no N3 H3 H2 101.6 . . . no N3 H3 H3 128.8 . . . no N3 H3 H4 49.0 . . . no N3 H3 H5 73.2 . . . no N3 H3 H6 55.1 . . . no N3 H3 H6 101.7 . . . no N3 H3 H7 169.0 . . . no N3 H3 H7 132.4 . . . no N3 H3 H8 75.9 . . . no N3 H3 H8 151.0 . . . no N3 H3 H8 92.6 . . . no N3 H3 H9 96.3 . . . no C3 H3 C4 20.0 . . . no C3 H3 C5 43.6 . . . no C3 H3 C6 75.4 . . . no C3 H3 C7 78.5 . . . no C3 H3 C8 96.2 . . . no C3 H3 C8 85.6 . . . no C3 H3 C9 112.7 . . . no C3 H3 C9 171.6 . . . no C3 H3 C10 152.5 . . . no C3 H3 C11 130.8 . . . no C3 H3 H1 19.4 . . . no C3 H3 H2 54.3 . . . no C3 H3 H3 75.1 . . . no C3 H3 H4 72.3 . . . no C3 H3 H5 77.2 . . . no C3 H3 H6 92.7 . . . no C3 H3 H6 77.0 . . . no C3 H3 H7 131.5 . . . no C3 H3 H7 166.0 . . . no C3 H3 H8 121.0 . . . no C3 H3 H8 93.1 . . . no C3 H3 H8 128.8 . . . no C3 H3 H9 125.8 . . . no C4 H3 C5 43.8 . . . no C4 H3 C6 94.4 . . . no C4 H3 C7 59.2 . . . no C4 H3 C8 79.5 . . . no C4 H3 C8 65.7 . . . no C4 H3 C9 94.8 . . . no C4 H3 C9 168.3 . . . no C4 H3 C10 164.0 . . . no C4 H3 C11 148.0 . . . no C4 H3 H1 38.3 . . . no C4 H3 H2 67.2 . . . no C4 H3 H3 66.8 . . . no C4 H3 H4 89.5 . . . no C4 H3 H5 97.1 . . . no C4 H3 H6 80.3 . . . no C4 H3 H6 57.9 . . . no C4 H3 H7 124.2 . . . no C4 H3 H7 163.1 . . . no C4 H3 H8 135.3 . . . no C4 H3 H8 90.4 . . . no C4 H3 H8 147.1 . . . no C4 H3 H9 145.3 . . . no C5 H3 C6 98.0 . . . no C5 H3 C7 84.0 . . . no C5 H3 C8 110.5 . . . no C5 H3 C8 75.9 . . . no C5 H3 C9 117.9 . . . no C5 H3 C9 138.3 . . . no C5 H3 C10 150.6 . . . no C5 H3 C11 140.6 . . . no C5 H3 H1 41.8 . . . no C5 H3 H2 35.3 . . . no C5 H3 H3 34.8 . . . no C5 H3 H4 102.3 . . . no C5 H3 H5 91.1 . . . no C5 H3 H6 119.3 . . . no C5 H3 H6 62.4 . . . no C5 H3 H7 88.0 . . . no C5 H3 H7 125.5 . . . no C5 H3 H8 145.0 . . . no C5 H3 H8 49.6 . . . no C5 H3 H8 135.9 . . . no C5 H3 H9 128.4 . . . no C6 H3 C7 138.9 4 4 4 no C6 H3 C8 128.1 4 4 4 no C6 H3 C8 157.1 4 4 4 no C6 H3 C9 135.9 4 4 4 no C6 H3 C9 96.3 4 4 4 no C6 H3 C10 78.2 4 4 4 no C6 H3 C11 55.7 4 4 4 no C6 H3 H1 62.2 4 4 4 no C6 H3 H2 68.2 4 4 4 no C6 H3 H3 127.7 4 4 4 no C6 H3 H4 12.4 4 4 4 no C6 H3 H5 13.1 4 4 4 no C6 H3 H6 109.8 4 4 4 no C6 H3 H6 152.3 4 4 4 no C6 H3 H7 123.8 4 4 4 no C6 H3 H7 100.8 4 4 4 no C6 H3 H8 49.5 4 4 4 no C6 H3 H8 116.3 4 4 4 no C6 H3 H8 53.4 4 4 4 no C6 H3 H9 51.0 4 4 4 no C7 H3 C8 26.6 . . . no C7 H3 C8 20.2 . . . no C7 H3 C9 36.8 . . . no C7 H3 C9 109.3 . . . no C7 H3 C10 118.2 . . . no C7 H3 C11 135.3 . . . no C7 H3 H1 97.5 . . . no C7 H3 H2 118.8 . . . no C7 H3 H3 73.6 . . . no C7 H3 H4 127.1 . . . no C7 H3 H5 149.4 . . . no C7 H3 H6 40.4 . . . no C7 H3 H6 29.2 . . . no C7 H3 H7 97.3 . . . no C7 H3 H7 111.3 . . . no C7 H3 H8 128.0 . . . no C7 H3 H8 96.3 . . . no C7 H3 H8 140.1 . . . no C7 H3 H9 147.4 . . . no C8 H3 C8 40.5 . . . no C8 H3 C9 17.6 . . . no C8 H3 C9 90.2 . . . no C8 H3 C10 93.9 . . . no C8 H3 C11 108.9 . . . no C8 H3 H1 115.4 . . . no C8 H3 H2 144.6 . . . no C8 H3 H3 97.2 . . . no C8 H3 H4 116.0 . . . no C8 H3 H5 141.2 . . . no C8 H3 H6 18.3 . . . no C8 H3 H6 53.1 . . . no C8 H3 H7 100.3 . . . no C8 H3 H7 96.6 . . . no C8 H3 H8 101.7 . . . no C8 H3 H8 115.2 . . . no C8 H3 H8 113.6 . . . no C8 H3 H9 121.1 . . . no C8 H3 C9 42.1 7 7 7 no C8 H3 C9 102.8 7 7 7 no C8 H3 C10 117.9 7 7 7 no C8 H3 C11 139.7 7 7 7 no C8 H3 H1 102.1 7 7 7 no C8 H3 H2 110.8 7 7 7 no C8 H3 H3 56.7 7 7 7 no C8 H3 H4 146.5 7 7 7 no C8 H3 H5 162.8 7 7 7 no C8 H3 H6 57.6 7 7 7 no C8 H3 H6 13.6 7 7 7 no C8 H3 H7 78.6 7 7 7 no C8 H3 H7 100.6 7 7 7 no C8 H3 H8 139.0 7 7 7 no C8 H3 H8 76.9 7 7 7 no C8 H3 H8 143.5 7 7 7 no C8 H3 H9 148.3 7 7 7 no C9 H3 C9 74.3 . . . no C9 H3 C10 81.4 . . . no C9 H3 C11 100.1 . . . no C9 H3 H1 132.1 . . . no C9 H3 H2 152.9 . . . no C9 H3 H3 95.4 . . . no C9 H3 H4 125.3 . . . no C9 H3 H5 147.5 . . . no C9 H3 H6 30.8 . . . no C9 H3 H6 55.8 . . . no C9 H3 H7 84.5 . . . no C9 H3 H7 79.5 . . . no C9 H3 H8 96.9 . . . no C9 H3 H8 106.7 . . . no C9 H3 H8 104.6 . . . no C9 H3 H9 111.4 . . . no C9 H3 C10 20.5 5_656 5_656 5_656 no C9 H3 C11 41.2 5_656 5_656 5_656 no C9 H3 H1 153.2 5_656 5_656 5_656 no C9 H3 H2 121.4 5_656 5_656 5_656 no C9 H3 H3 109.5 5_656 5_656 5_656 no C9 H3 H4 100.0 5_656 5_656 5_656 no C9 H3 H5 94.4 5_656 5_656 5_656 no C9 H3 H6 91.7 5_656 5_656 5_656 no C9 H3 H6 111.3 5_656 5_656 5_656 no C9 H3 H7 51.9 5_656 5_656 5_656 no C9 H3 H7 12.7 5_656 5_656 5_656 no C9 H3 H8 52.0 5_656 5_656 5_656 no C9 H3 H8 89.0 5_656 5_656 5_656 no C9 H3 H8 43.0 5_656 5_656 5_656 no C9 H3 H9 45.8 5_656 5_656 5_656 no C10 H3 C11 22.6 3_646 3_646 3_646 no C10 H3 H1 139.8 3_646 3_646 3_646 no C10 H3 H2 121.4 3_646 3_646 3_646 no C10 H3 H3 128.8 3_646 3_646 3_646 no C10 H3 H4 80.3 3_646 3_646 3_646 no C10 H3 H5 78.9 3_646 3_646 3_646 no C10 H3 H6 88.8 3_646 3_646 3_646 no C10 H3 H6 128.7 3_646 3_646 3_646 no C10 H3 H7 71.1 3_646 3_646 3_646 no C10 H3 H7 31.3 3_646 3_646 3_646 no C10 H3 H8 31.6 3_646 3_646 3_646 no C10 H3 H8 105.6 3_646 3_646 3_646 no C10 H3 H8 25.7 3_646 3_646 3_646 no C10 H3 H9 30.9 3_646 3_646 3_646 no C11 H3 H1 117.2 3_646 3_646 3_646 no C11 H3 H2 105.7 3_646 3_646 3_646 no C11 H3 H3 138.4 3_646 3_646 3_646 no C11 H3 H4 58.8 3_646 3_646 3_646 no C11 H3 H5 56.6 3_646 3_646 3_646 no C11 H3 H6 98.4 3_646 3_646 3_646 no C11 H3 H6 151.2 3_646 3_646 3_646 no C11 H3 H7 85.5 3_646 3_646 3_646 no C11 H3 H7 48.8 3_646 3_646 3_646 no C11 H3 H8 15.0 3_646 3_646 3_646 no C11 H3 H8 111.8 3_646 3_646 3_646 no C11 H3 H8 4.8 3_646 3_646 3_646 no C11 H3 H9 12.3 3_646 3_646 3_646 no H1 H3 H2 38.2 . . . no H1 H3 H3 76.6 . . . no H1 H3 H4 62.6 . . . no H1 H3 H5 61.0 . . . no H1 H3 H6 110.1 . . . no H1 H3 H6 91.5 . . . no H1 H3 H7 125.0 . . . no H1 H3 H7 147.9 . . . no H1 H3 H8 111.3 . . . no H1 H3 H8 87.1 . . . no H1 H3 H8 114.1 . . . no H1 H3 H9 109.6 . . . no H2 H3 H3 59.5 . . . no H2 H3 H4 76.5 . . . no H2 H3 H5 58.4 . . . no H2 H3 H6 146.9 . . . no H2 H3 H6 97.1 . . . no H2 H3 H7 89.3 . . . no H2 H3 H7 111.8 . . . no H2 H3 H8 110.1 . . . no H2 H3 H8 55.9 . . . no H2 H3 H8 101.1 . . . no H2 H3 H9 93.8 . . . no H3 H3 H4 135.2 7 7 7 no H3 H3 H5 117.1 7 7 7 no H3 H3 H6 113.8 7 7 7 no H3 H3 H6 44.6 7 7 7 no H3 H3 H7 57.8 7 7 7 no H3 H3 H7 97.7 7 7 7 no H3 H3 H8 153.1 7 7 7 no H3 H3 H8 26.7 7 7 7 no H3 H3 H8 135.3 7 7 7 no H3 H3 H9 129.3 7 7 7 no H4 H3 H5 25.4 4 4 4 no H4 H3 H6 97.8 4 4 4 no H4 H3 H6 145.9 4 4 4 no H4 H3 H7 134.9 4 4 4 no H4 H3 H7 106.8 4 4 4 no H4 H3 H8 49.3 4 4 4 no H4 H3 H8 127.8 4 4 4 no H4 H3 H8 57.6 4 4 4 no H4 H3 H9 57.0 4 4 4 no H5 H3 H6 122.9 4 4 4 no H5 H3 H6 151.9 4 4 4 no H5 H3 H7 112.7 4 4 4 no H5 H3 H7 96.1 4 4 4 no H5 H3 H8 54.3 4 4 4 no H5 H3 H8 103.4 4 4 4 no H5 H3 H8 53.2 4 4 4 no H5 H3 H9 48.9 4 4 4 no H6 H3 H6 69.2 . . . no H6 H3 H7 115.2 . . . no H6 H3 H7 101.1 . . . no H6 H3 H8 88.3 . . . no H6 H3 H8 133.5 . . . no H6 H3 H8 103.1 . . . no H6 H3 H9 110.6 . . . no H6 H3 H7 77.4 7 7 7 no H6 H3 H7 106.5 7 7 7 no H6 H3 H8 152.6 7 7 7 no H6 H3 H8 67.4 7 7 7 no H6 H3 H8 154.1 7 7 7 no H6 H3 H9 156.6 7 7 7 no H7 H3 H7 39.9 3_656 3_656 3_656 no H7 H3 H8 99.8 3_656 3_656 3_656 no H7 H3 H8 38.7 3_656 3_656 3_656 no H7 H3 H8 84.5 3_656 3_656 3_656 no H7 H3 H9 82.1 3_656 3_656 3_656 no H7 H3 H8 61.5 5_656 5_656 5_656 no H7 H3 H8 76.3 5_656 5_656 5_656 no H7 H3 H8 49.3 5_656 5_656 5_656 no H7 H3 H9 50.1 5_656 5_656 5_656 no H8 H3 H8 126.4 3_646 3_646 3_646 no H8 H3 H8 17.8 3_646 3_646 3_646 no H8 H3 H9 24.1 3_646 3_646 3_646 no H8 H3 H8 108.6 3_656 3_656 3_656 no H8 H3 H9 102.7 3_656 3_656 3_656 no H8 H3 H9 7.6 5_656 5_656 5_656 no O2 H4 O3 149.4 4_554 4_554 4_554 no O2 H4 O4 118.1 4_554 4_554 4_554 no O2 H4 O4 44.7 4_554 4_554 4_554 no O2 H4 O4 118.1 4_554 4_554 4_554 no O2 H4 N2 105.7 4_554 4_554 4_554 no O2 H4 N3 20.7 4_554 4_554 4_554 no O2 H4 C1 105.4 4_554 4_554 4_554 no O2 H4 C2 139.6 4_554 4_554 4_554 no O2 H4 C3 151.0 4_554 4_554 4_554 no O2 H4 C3 64.1 4_554 4_554 4_554 no O2 H4 C3 64.1 4_554 4_554 4_554 no O2 H4 C4 54.5 4_554 4_554 4_554 no O2 H4 C4 54.5 4_554 4_554 4_554 no O2 H4 C5 66.4 4_554 4_554 4_554 no O2 H4 C5 66.4 4_554 4_554 4_554 no O2 H4 C6 176.6 4_554 4_554 4_554 no O2 H4 C11 86.0 4_554 4_554 4_554 no O2 H4 H1 169.0 4_554 4_554 4_554 no O2 H4 H1 81.2 4_554 4_554 4_554 no O2 H4 H1 81.2 4_554 4_554 4_554 no O2 H4 H2 80.3 4_554 4_554 4_554 no O2 H4 H2 80.3 4_554 4_554 4_554 no O2 H4 H3 60.1 4_554 4_554 4_554 no O2 H4 H3 60.1 4_554 4_554 4_554 no O2 H4 H5 141.6 4_554 4_554 4_554 no O2 H4 H5 141.6 4_554 4_554 4_554 no O2 H4 H8 80.5 4_554 4_554 4_554 no O2 H4 H8 80.5 4_554 4_554 4_554 no O2 H4 H9 101.9 4_554 4_554 4_554 no O2 H4 H10 81.9 4_554 4_554 4_554 no O3 H4 O4 76.5 4 4 4 no O3 H4 O4 165.9 4 4 4 no O3 H4 O4 76.5 4 4 4 no O3 H4 N2 104.9 4 4 4 no O3 H4 N3 170.2 4 4 4 no O3 H4 C1 105.2 4 4 4 no O3 H4 C2 71.0 4 4 4 no O3 H4 C3 59.5 4 4 4 no O3 H4 C3 122.9 4 4 4 no O3 H4 C3 122.9 4 4 4 no O3 H4 C4 120.4 4 4 4 no O3 H4 C4 120.4 4 4 4 no O3 H4 C5 100.5 4 4 4 no O3 H4 C5 100.5 4 4 4 no O3 H4 C6 27.2 4 4 4 no O3 H4 C11 63.4 4 4 4 no O3 H4 H1 41.6 4 4 4 no O3 H4 H1 109.4 4 4 4 no O3 H4 H1 109.4 4 4 4 no O3 H4 H2 89.9 4 4 4 no O3 H4 H2 89.9 4 4 4 no O3 H4 H3 100.1 4 4 4 no O3 H4 H3 100.1 4 4 4 no O3 H4 H5 32.9 4 4 4 no O3 H4 H5 32.9 4 4 4 no O3 H4 H8 70.1 4 4 4 no O3 H4 H8 70.1 4 4 4 no O3 H4 H9 47.5 4 4 4 no O3 H4 H10 128.6 4 4 4 no O4 H4 O4 95.6 . . . no O4 H4 O4 109.2 . . . no O4 H4 N2 63.1 . . . no O4 H4 N3 108.7 . . . no O4 H4 C1 63.2 . . . no O4 H4 C2 54.7 . . . no O4 H4 C3 54.9 . . . no O4 H4 C3 53.9 . . . no O4 H4 C3 140.9 . . . no O4 H4 C4 66.8 . . . no O4 H4 C4 158.9 . . . no O4 H4 C5 66.2 . . . no O4 H4 C5 175.2 . . . no O4 H4 C6 63.3 . . . no O4 H4 C11 111.7 . . . no O4 H4 H1 58.2 . . . no O4 H4 H1 36.9 . . . no O4 H4 H1 132.6 . . . no O4 H4 H2 53.7 . . . no O4 H4 H2 160.9 . . . no O4 H4 H3 79.9 . . . no O4 H4 H3 168.8 . . . no O4 H4 H5 46.2 . . . no O4 H4 H5 100.0 . . . no O4 H4 H8 128.1 . . . no O4 H4 H8 100.4 . . . no O4 H4 H9 103.5 . . . no O4 H4 H10 74.4 . . . no O4 H4 O4 95.6 4_554 4_554 4_554 no O4 H4 N2 61.0 4_554 4_554 4_554 no O4 H4 N3 23.9 4_554 4_554 4_554 no O4 H4 C1 60.7 4_554 4_554 4_554 no O4 H4 C2 94.9 4_554 4_554 4_554 no O4 H4 C3 106.4 4_554 4_554 4_554 no O4 H4 C3 57.2 4_554 4_554 4_554 no O4 H4 C3 57.2 4_554 4_554 4_554 no O4 H4 C4 65.1 4_554 4_554 4_554 no O4 H4 C4 65.1 4_554 4_554 4_554 no O4 H4 C5 86.5 4_554 4_554 4_554 no O4 H4 C5 86.5 4_554 4_554 4_554 no O4 H4 C6 138.7 4_554 4_554 4_554 no O4 H4 C11 130.7 4_554 4_554 4_554 no O4 H4 H1 124.3 4_554 4_554 4_554 no O4 H4 H1 67.3 4_554 4_554 4_554 no O4 H4 H1 67.3 4_554 4_554 4_554 no O4 H4 H2 94.8 4_554 4_554 4_554 no O4 H4 H2 94.8 4_554 4_554 4_554 no O4 H4 H3 89.8 4_554 4_554 4_554 no O4 H4 H3 89.8 4_554 4_554 4_554 no O4 H4 H5 141.7 4_554 4_554 4_554 no O4 H4 H5 141.7 4_554 4_554 4_554 no O4 H4 H8 123.3 4_554 4_554 4_554 no O4 H4 H8 123.3 4_554 4_554 4_554 no O4 H4 H9 146.6 4_554 4_554 4_554 no O4 H4 H10 37.3 4_554 4_554 4_554 no O4 H4 N2 63.1 1_565 1_565 1_565 no O4 H4 N3 108.7 1_565 1_565 1_565 no O4 H4 C1 63.2 1_565 1_565 1_565 no O4 H4 C2 54.7 1_565 1_565 1_565 no O4 H4 C3 54.9 1_565 1_565 1_565 no O4 H4 C3 140.9 1_565 1_565 1_565 no O4 H4 C3 53.9 1_565 1_565 1_565 no O4 H4 C4 158.9 1_565 1_565 1_565 no O4 H4 C4 66.8 1_565 1_565 1_565 no O4 H4 C5 175.2 1_565 1_565 1_565 no O4 H4 C5 66.2 1_565 1_565 1_565 no O4 H4 C6 63.3 1_565 1_565 1_565 no O4 H4 C11 111.7 1_565 1_565 1_565 no O4 H4 H1 58.2 1_565 1_565 1_565 no O4 H4 H1 132.6 1_565 1_565 1_565 no O4 H4 H1 36.9 1_565 1_565 1_565 no O4 H4 H2 160.9 1_565 1_565 1_565 no O4 H4 H2 53.7 1_565 1_565 1_565 no O4 H4 H3 168.8 1_565 1_565 1_565 no O4 H4 H3 79.9 1_565 1_565 1_565 no O4 H4 H5 100.0 1_565 1_565 1_565 no O4 H4 H5 46.2 1_565 1_565 1_565 no O4 H4 H8 100.4 1_565 1_565 1_565 no O4 H4 H8 128.1 1_565 1_565 1_565 no O4 H4 H9 103.5 1_565 1_565 1_565 no O4 H4 H10 74.4 1_565 1_565 1_565 no N2 H4 N3 84.9 . . . no N2 H4 C1 0.3 . . . no N2 H4 C2 33.9 . . . no N2 H4 C3 45.4 . . . no N2 H4 C3 78.4 . . . no N2 H4 C3 78.4 . . . no N2 H4 C4 98.4 . . . no N2 H4 C4 98.4 . . . no N2 H4 C5 114.6 . . . no N2 H4 C5 114.6 . . . no N2 H4 C6 77.7 . . . no N2 H4 C11 168.3 . . . no N2 H4 H1 63.3 . . . no N2 H4 H1 70.2 . . . no N2 H4 H1 70.2 . . . no N2 H4 H2 108.9 . . . no N2 H4 H2 108.9 . . . no N2 H4 H3 127.9 . . . no N2 H4 H3 127.9 . . . no N2 H4 H5 95.8 . . . no N2 H4 H5 95.8 . . . no N2 H4 H8 163.5 . . . no N2 H4 H8 163.5 . . . no N2 H4 H9 152.4 . . . no N2 H4 H10 23.7 . . . no N3 H4 C1 84.6 4_554 4_554 4_554 no N3 H4 C2 118.8 4_554 4_554 4_554 no N3 H4 C3 130.3 4_554 4_554 4_554 no N3 H4 C3 58.3 4_554 4_554 4_554 no N3 H4 C3 58.3 4_554 4_554 4_554 no N3 H4 C4 56.8 4_554 4_554 4_554 no N3 H4 C4 56.8 4_554 4_554 4_554 no N3 H4 C5 74.8 4_554 4_554 4_554 no N3 H4 C5 74.8 4_554 4_554 4_554 no N3 H4 C6 162.6 4_554 4_554 4_554 no N3 H4 C11 106.7 4_554 4_554 4_554 no N3 H4 H1 148.2 4_554 4_554 4_554 no N3 H4 H1 73.5 4_554 4_554 4_554 no N3 H4 H1 73.5 4_554 4_554 4_554 no N3 H4 H2 86.9 4_554 4_554 4_554 no N3 H4 H2 86.9 4_554 4_554 4_554 no N3 H4 H3 73.2 4_554 4_554 4_554 no N3 H4 H3 73.2 4_554 4_554 4_554 no N3 H4 H5 147.9 4_554 4_554 4_554 no N3 H4 H5 147.9 4_554 4_554 4_554 no N3 H4 H8 100.4 4_554 4_554 4_554 no N3 H4 H8 100.4 4_554 4_554 4_554 no N3 H4 H9 122.7 4_554 4_554 4_554 no N3 H4 H10 61.2 4_554 4_554 4_554 no C1 H4 C2 34.2 . . . no C1 H4 C3 45.7 . . . no C1 H4 C3 78.3 . . . no C1 H4 C3 78.3 . . . no C1 H4 C4 98.2 . . . no C1 H4 C4 98.2 . . . no C1 H4 C5 114.5 . . . no C1 H4 C5 114.5 . . . no C1 H4 C6 78.0 . . . no C1 H4 C11 168.6 . . . no C1 H4 H1 63.6 . . . no C1 H4 H1 70.1 . . . no C1 H4 H1 70.1 . . . no C1 H4 H2 108.8 . . . no C1 H4 H2 108.8 . . . no C1 H4 H3 127.8 . . . no C1 H4 H3 127.8 . . . no C1 H4 H5 96.0 . . . no C1 H4 H5 96.0 . . . no C1 H4 H8 163.6 . . . no C1 H4 H8 163.6 . . . no C1 H4 H9 152.7 . . . no C1 H4 H10 23.4 . . . no C2 H4 C3 11.5 . . . no C2 H4 C3 96.8 . . . no C2 H4 C3 96.8 . . . no C2 H4 C4 115.8 . . . no C2 H4 C4 115.8 . . . no C2 H4 C5 120.8 . . . no C2 H4 C5 120.8 . . . no C2 H4 C6 43.8 . . . no C2 H4 C11 134.4 . . . no C2 H4 H1 29.4 . . . no C2 H4 H1 82.0 . . . no C2 H4 H1 82.0 . . . no C2 H4 H2 108.4 . . . no C2 H4 H2 108.4 . . . no C2 H4 H3 134.7 . . . no C2 H4 H3 134.7 . . . no C2 H4 H5 67.3 . . . no C2 H4 H5 67.3 . . . no C2 H4 H8 137.9 . . . no C2 H4 H8 137.9 . . . no C2 H4 H9 118.5 . . . no C2 H4 H10 57.6 . . . no C3 H4 C3 102.8 . . . no C3 H4 C3 102.8 . . . no C3 H4 C4 120.2 . . . no C3 H4 C4 120.2 . . . no C3 H4 C5 120.3 . . . no C3 H4 C5 120.3 . . . no C3 H4 C6 32.3 . . . no C3 H4 C11 123.0 . . . no C3 H4 H1 18.0 . . . no C3 H4 H1 86.8 . . . no C3 H4 H1 86.8 . . . no C3 H4 H2 106.7 . . . no C3 H4 H2 106.7 . . . no C3 H4 H3 132.7 . . . no C3 H4 H3 132.7 . . . no C3 H4 H5 58.1 . . . no C3 H4 H5 58.1 . . . no C3 H4 H8 127.2 . . . no C3 H4 H8 127.2 . . . no C3 H4 H9 107.0 . . . no C3 H4 H10 69.1 . . . no C3 H4 C3 113.7 4_554 4_554 4_554 no C3 H4 C4 20.2 4_554 4_554 4_554 no C3 H4 C4 115.1 4_554 4_554 4_554 no C3 H4 C5 38.0 4_554 4_554 4_554 no C3 H4 C5 130.5 4_554 4_554 4_554 no C3 H4 C6 117.1 4_554 4_554 4_554 no C3 H4 C11 107.4 4_554 4_554 4_554 no C3 H4 H1 111.4 4_554 4_554 4_554 no C3 H4 H1 17.1 4_554 4_554 4_554 no C3 H4 H1 124.1 4_554 4_554 4_554 no C3 H4 H2 39.9 4_554 4_554 4_554 no C3 H4 H2 144.2 4_554 4_554 4_554 no C3 H4 H3 49.7 4_554 4_554 4_554 no C3 H4 H3 122.7 4_554 4_554 4_554 no C3 H4 H5 90.3 4_554 4_554 4_554 no C3 H4 H5 153.2 4_554 4_554 4_554 no C3 H4 H8 117.7 4_554 4_554 4_554 no C3 H4 H8 91.0 4_554 4_554 4_554 no C3 H4 H9 114.4 4_554 4_554 4_554 no C3 H4 H10 67.2 4_554 4_554 4_554 no C3 H4 C4 115.1 4_564 4_564 4_564 no C3 H4 C4 20.2 4_564 4_564 4_564 no C3 H4 C5 130.5 4_564 4_564 4_564 no C3 H4 C5 38.0 4_564 4_564 4_564 no C3 H4 C6 117.1 4_564 4_564 4_564 no C3 H4 C11 107.4 4_564 4_564 4_564 no C3 H4 H1 111.4 4_564 4_564 4_564 no C3 H4 H1 124.1 4_564 4_564 4_564 no C3 H4 H1 17.1 4_564 4_564 4_564 no C3 H4 H2 144.2 4_564 4_564 4_564 no C3 H4 H2 39.9 4_564 4_564 4_564 no C3 H4 H3 122.7 4_564 4_564 4_564 no C3 H4 H3 49.7 4_564 4_564 4_564 no C3 H4 H5 153.2 4_564 4_564 4_564 no C3 H4 H5 90.3 4_564 4_564 4_564 no C3 H4 H8 91.0 4_564 4_564 4_564 no C3 H4 H8 117.7 4_564 4_564 4_564 no C3 H4 H9 114.4 4_564 4_564 4_564 no C3 H4 H10 67.2 4_564 4_564 4_564 no C4 H4 C4 108.9 4_554 4_554 4_554 no C4 H4 C5 21.9 4_554 4_554 4_554 no C4 H4 C5 118.0 4_554 4_554 4_554 no C4 H4 C6 125.5 4_554 4_554 4_554 no C4 H4 C11 88.3 4_554 4_554 4_554 no C4 H4 H1 124.6 4_554 4_554 4_554 no C4 H4 H1 33.8 4_554 4_554 4_554 no C4 H4 H1 130.0 4_554 4_554 4_554 no C4 H4 H2 30.6 4_554 4_554 4_554 no C4 H4 H2 132.3 4_554 4_554 4_554 no C4 H4 H3 30.6 4_554 4_554 4_554 no C4 H4 H3 107.0 4_554 4_554 4_554 no C4 H4 H5 91.6 4_554 4_554 4_554 no C4 H4 H5 153.0 4_554 4_554 4_554 no C4 H4 H8 97.6 4_554 4_554 4_554 no C4 H4 H8 72.4 4_554 4_554 4_554 no C4 H4 H9 97.6 4_554 4_554 4_554 no C4 H4 H10 84.7 4_554 4_554 4_554 no C4 H4 C5 118.0 4_564 4_564 4_564 no C4 H4 C5 21.9 4_564 4_564 4_564 no C4 H4 C6 125.5 4_564 4_564 4_564 no C4 H4 C11 88.3 4_564 4_564 4_564 no C4 H4 H1 124.6 4_564 4_564 4_564 no C4 H4 H1 130.0 4_564 4_564 4_564 no C4 H4 H1 33.8 4_564 4_564 4_564 no C4 H4 H2 132.3 4_564 4_564 4_564 no C4 H4 H2 30.6 4_564 4_564 4_564 no C4 H4 H3 107.0 4_564 4_564 4_564 no C4 H4 H3 30.6 4_564 4_564 4_564 no C4 H4 H5 153.0 4_564 4_564 4_564 no C4 H4 H5 91.6 4_564 4_564 4_564 no C4 H4 H8 72.4 4_564 4_564 4_564 no C4 H4 H8 97.6 4_564 4_564 4_564 no C4 H4 H9 97.6 4_564 4_564 4_564 no C4 H4 H10 84.7 4_564 4_564 4_564 no C5 H4 C5 118.3 4_554 4_554 4_554 no C5 H4 C6 112.4 4_554 4_554 4_554 no C5 H4 C11 69.7 4_554 4_554 4_554 no C5 H4 H1 117.0 4_554 4_554 4_554 no C5 H4 H1 44.5 4_554 4_554 4_554 no C5 H4 H1 147.4 4_554 4_554 4_554 no C5 H4 H2 14.3 4_554 4_554 4_554 no C5 H4 H2 130.5 4_554 4_554 4_554 no C5 H4 H3 14.5 4_554 4_554 4_554 no C5 H4 H3 104.5 4_554 4_554 4_554 no C5 H4 H5 75.8 4_554 4_554 4_554 no C5 H4 H5 131.8 4_554 4_554 4_554 no C5 H4 H8 81.9 4_554 4_554 4_554 no C5 H4 H8 53.2 4_554 4_554 4_554 no C5 H4 H9 76.7 4_554 4_554 4_554 no C5 H4 H10 105.1 4_554 4_554 4_554 no C5 H4 C6 112.4 4_564 4_564 4_564 no C5 H4 C11 69.7 4_564 4_564 4_564 no C5 H4 H1 117.0 4_564 4_564 4_564 no C5 H4 H1 147.4 4_564 4_564 4_564 no C5 H4 H1 44.5 4_564 4_564 4_564 no C5 H4 H2 130.5 4_564 4_564 4_564 no C5 H4 H2 14.3 4_564 4_564 4_564 no C5 H4 H3 104.5 4_564 4_564 4_564 no C5 H4 H3 14.5 4_564 4_564 4_564 no C5 H4 H5 131.8 4_564 4_564 4_564 no C5 H4 H5 75.8 4_564 4_564 4_564 no C5 H4 H8 53.2 4_564 4_564 4_564 no C5 H4 H8 81.9 4_564 4_564 4_564 no C5 H4 H9 76.7 4_564 4_564 4_564 no C5 H4 H10 105.1 4_564 4_564 4_564 no C6 H4 C11 90.6 . . . no C6 H4 H1 14.4 . . . no C6 H4 H1 100.2 . . . no C6 H4 H1 100.2 . . . no C6 H4 H2 98.7 . . . no C6 H4 H2 98.7 . . . no C6 H4 H3 117.9 . . . no C6 H4 H3 117.9 . . . no C6 H4 H5 36.8 . . . no C6 H4 H5 36.8 . . . no C6 H4 H8 96.3 . . . no C6 H4 H8 96.3 . . . no C6 H4 H9 74.7 . . . no C6 H4 H10 101.4 . . . no C11 H4 H1 105.0 2_455 2_455 2_455 no C11 H4 H1 112.5 2_455 2_455 2_455 no C11 H4 H1 112.5 2_455 2_455 2_455 no C11 H4 H2 72.5 2_455 2_455 2_455 no C11 H4 H2 72.5 2_455 2_455 2_455 no C11 H4 H3 57.8 2_455 2_455 2_455 no C11 H4 H3 57.8 2_455 2_455 2_455 no C11 H4 H5 74.4 2_455 2_455 2_455 no C11 H4 H5 74.4 2_455 2_455 2_455 no C11 H4 H8 16.6 2_455 2_455 2_455 no C11 H4 H8 16.6 2_455 2_455 2_455 no C11 H4 H9 15.9 2_455 2_455 2_455 no C11 H4 H10 167.9 2_455 2_455 2_455 no H1 H4 H1 94.3 . . . no H1 H4 H1 94.3 . . . no H1 H4 H2 102.7 . . . no H1 H4 H2 102.7 . . . no H1 H4 H3 125.8 . . . no H1 H4 H3 125.8 . . . no H1 H4 H5 45.0 . . . no H1 H4 H5 45.0 . . . no H1 H4 H8 110.1 . . . no H1 H4 H8 110.1 . . . no H1 H4 H9 89.1 . . . no H1 H4 H10 87.0 . . . no H1 H4 H1 129.9 4_554 4_554 4_554 no H1 H4 H2 40.0 4_554 4_554 4_554 no H1 H4 H2 160.4 4_554 4_554 4_554 no H1 H4 H3 58.5 4_554 4_554 4_554 no H1 H4 H3 139.7 4_554 4_554 4_554 no H1 H4 H5 76.6 4_554 4_554 4_554 no H1 H4 H5 136.8 4_554 4_554 4_554 no H1 H4 H8 126.2 4_554 4_554 4_554 no H1 H4 H8 96.1 4_554 4_554 4_554 no H1 H4 H9 114.7 4_554 4_554 4_554 no H1 H4 H10 65.7 4_554 4_554 4_554 no H1 H4 H2 160.4 4_564 4_564 4_564 no H1 H4 H2 40.0 4_564 4_564 4_564 no H1 H4 H3 139.7 4_564 4_564 4_564 no H1 H4 H3 58.5 4_564 4_564 4_564 no H1 H4 H5 136.8 4_564 4_564 4_564 no H1 H4 H5 76.6 4_564 4_564 4_564 no H1 H4 H8 96.1 4_564 4_564 4_564 no H1 H4 H8 126.2 4_564 4_564 4_564 no H1 H4 H9 114.7 4_564 4_564 4_564 no H1 H4 H10 65.7 4_564 4_564 4_564 no H2 H4 H2 141.0 4_554 4_554 4_554 no H2 H4 H3 26.4 4_554 4_554 4_554 no H2 H4 H3 116.1 4_554 4_554 4_554 no H2 H4 H5 62.5 4_554 4_554 4_554 no H2 H4 H5 122.5 4_554 4_554 4_554 no H2 H4 H8 87.1 4_554 4_554 4_554 no H2 H4 H8 56.4 4_554 4_554 4_554 no H2 H4 H9 75.6 4_554 4_554 4_554 no H2 H4 H10 105.2 4_554 4_554 4_554 no H2 H4 H3 116.1 4_564 4_564 4_564 no H2 H4 H3 26.4 4_564 4_564 4_564 no H2 H4 H5 122.5 4_564 4_564 4_564 no H2 H4 H5 62.5 4_564 4_564 4_564 no H2 H4 H8 56.4 4_564 4_564 4_564 no H2 H4 H8 87.1 4_564 4_564 4_564 no H2 H4 H9 75.6 4_564 4_564 4_564 no H2 H4 H10 105.2 4_564 4_564 4_564 no H3 H4 H3 90.3 4_554 4_554 4_554 no H3 H4 H5 81.5 4_554 4_554 4_554 no H3 H4 H5 127.2 4_554 4_554 4_554 no H3 H4 H8 68.5 4_554 4_554 4_554 no H3 H4 H8 41.8 4_554 4_554 4_554 no H3 H4 H9 67.4 4_554 4_554 4_554 no H3 H4 H10 115.1 4_554 4_554 4_554 no H3 H4 H5 127.2 6_554 6_554 6_554 no H3 H4 H5 81.5 6_554 6_554 6_554 no H3 H4 H8 41.8 6_554 6_554 6_554 no H3 H4 H8 68.5 6_554 6_554 6_554 no H3 H4 H9 67.4 6_554 6_554 6_554 no H3 H4 H10 115.1 6_554 6_554 6_554 no H5 H4 H5 64.1 . . . no H5 H4 H8 88.0 . . . no H5 H4 H8 71.4 . . . no H5 H4 H9 61.4 . . . no H5 H4 H10 115.5 . . . no H5 H4 H8 71.4 7 7 7 no H5 H4 H8 88.0 7 7 7 no H5 H4 H9 61.4 7 7 7 no H5 H4 H10 115.5 7 7 7 no H8 H4 H8 31.0 2_455 2_455 2_455 no H8 H4 H9 26.6 2_455 2_455 2_455 no H8 H4 H10 156.4 2_455 2_455 2_455 no H8 H4 H9 26.6 8_455 8_455 8_455 no H8 H4 H10 156.4 8_455 8_455 8_455 no H9 H4 H10 176.1 2_455 2_455 2_455 no O1 H5 O2 117.2 4 4 4 no O1 H5 O3 77.1 4 4 4 no O1 H5 O4 69.1 4 4 4 no O1 H5 N2 140.3 4 4 4 no O1 H5 N2 40.9 4 4 4 no O1 H5 N3 82.8 4 4 4 no O1 H5 N3 76.7 4 4 4 no O1 H5 C1 21.1 4 4 4 no O1 H5 C2 141.5 4 4 4 no O1 H5 C3 121.2 4 4 4 no O1 H5 C5 60.9 4 4 4 no O1 H5 C6 174.3 4 4 4 no O1 H5 C11 80.2 4 4 4 no O1 H5 H1 107.2 4 4 4 no O1 H5 H1 80.6 4 4 4 no O1 H5 H2 52.0 4 4 4 no O1 H5 H3 67.0 4 4 4 no O1 H5 H4 140.1 4 4 4 no O1 H5 H5 144.6 4 4 4 no O1 H5 H8 97.2 4 4 4 no O1 H5 H8 72.1 4 4 4 no O1 H5 H9 74.5 4 4 4 no O1 H5 H10 139.8 4 4 4 no O1 H5 H10 48.7 4 4 4 no O2 H5 O3 140.6 4_554 4_554 4_554 no O2 H5 O4 107.4 4_554 4_554 4_554 no O2 H5 N2 68.5 4_554 4_554 4_554 no O2 H5 N2 150.1 4_554 4_554 4_554 no O2 H5 N3 105.5 4_554 4_554 4_554 no O2 H5 N3 150.1 4_554 4_554 4_554 no O2 H5 C1 138.3 4_554 4_554 4_554 no O2 H5 C2 86.9 4_554 4_554 4_554 no O2 H5 C3 114.1 4_554 4_554 4_554 no O2 H5 C5 57.9 4_554 4_554 4_554 no O2 H5 C6 60.1 4_554 4_554 4_554 no O2 H5 C11 68.6 4_554 4_554 4_554 no O2 H5 H1 134.3 4_554 4_554 4_554 no O2 H5 H1 66.6 4_554 4_554 4_554 no O2 H5 H2 68.8 4_554 4_554 4_554 no O2 H5 H3 50.2 4_554 4_554 4_554 no O2 H5 H4 23.0 4_554 4_554 4_554 no O2 H5 H5 76.8 4_554 4_554 4_554 no O2 H5 H8 59.1 4_554 4_554 4_554 no O2 H5 H8 62.4 4_554 4_554 4_554 no O2 H5 H9 85.4 4_554 4_554 4_554 no O2 H5 H10 50.4 4_554 4_554 4_554 no O2 H5 H10 139.8 4_554 4_554 4_554 no O3 H5 O4 111.9 4 4 4 no O3 H5 N2 125.3 4 4 4 no O3 H5 N2 64.6 4 4 4 no O3 H5 N3 112.8 4 4 4 no O3 H5 N3 10.7 4 4 4 no O3 H5 C1 61.9 4 4 4 no O3 H5 C2 103.8 4 4 4 no O3 H5 C3 81.2 4 4 4 no O3 H5 C5 131.5 4 4 4 no O3 H5 C6 101.8 4 4 4 no O3 H5 C11 79.2 4 4 4 no O3 H5 H1 58.2 4 4 4 no O3 H5 H1 151.3 4 4 4 no O3 H5 H2 127.0 4 4 4 no O3 H5 H3 126.5 4 4 4 no O3 H5 H4 130.1 4 4 4 no O3 H5 H5 73.5 4 4 4 no O3 H5 H8 83.7 4 4 4 no O3 H5 H8 91.8 4 4 4 no O3 H5 H9 62.2 4 4 4 no O3 H5 H10 139.4 4 4 4 no O3 H5 H10 78.3 4 4 4 no O4 H5 N2 71.8 . . . no O4 H5 N2 51.0 . . . no O4 H5 N3 14.3 . . . no O4 H5 N3 102.2 . . . no O4 H5 C1 66.5 . . . no O4 H5 C2 75.3 . . . no O4 H5 C3 69.9 . . . no O4 H5 C5 76.2 . . . no O4 H5 C6 116.3 . . . no O4 H5 C11 143.1 . . . no O4 H5 H1 78.0 . . . no O4 H5 H1 42.0 . . . no O4 H5 H2 66.6 . . . no O4 H5 H3 91.3 . . . no O4 H5 H4 112.8 . . . no O4 H5 H5 141.0 . . . no O4 H5 H8 155.0 . . . no O4 H5 H8 127.6 . . . no O4 H5 H9 143.4 . . . no O4 H5 H10 78.8 . . . no O4 H5 H10 35.3 . . . no N2 H5 N2 113.8 . . . no N2 H5 N3 59.0 . . . no N2 H5 N3 119.1 . . . no N2 H5 C1 135.7 . . . no N2 H5 C2 21.7 . . . no N2 H5 C3 47.5 . . . no N2 H5 C5 103.0 . . . no N2 H5 C6 44.7 . . . no N2 H5 C11 131.8 . . . no N2 H5 H1 70.7 . . . no N2 H5 H1 65.6 . . . no N2 H5 H2 105.2 . . . no N2 H5 H3 107.4 . . . no N2 H5 H4 53.8 . . . no N2 H5 H5 74.3 . . . no N2 H5 H8 116.0 . . . no N2 H5 H8 130.7 . . . no N2 H5 H9 143.1 . . . no N2 H5 H10 18.3 . . . no N2 H5 H10 99.7 . . . no N2 H5 N3 59.0 4 4 4 no N2 H5 N3 57.3 4 4 4 no N2 H5 C1 23.2 4 4 4 no N2 H5 C2 103.8 4 4 4 no N2 H5 C3 80.4 4 4 4 no N2 H5 C5 93.9 4 4 4 no N2 H5 C6 143.7 4 4 4 no N2 H5 C11 114.3 4 4 4 no N2 H5 H1 67.7 4 4 4 no N2 H5 H1 86.8 4 4 4 no N2 H5 H2 82.3 4 4 4 no N2 H5 H3 104.5 4 4 4 no N2 H5 H4 163.8 4 4 4 no N2 H5 H5 133.1 4 4 4 no N2 H5 H8 130.1 4 4 4 no N2 H5 H8 111.2 4 4 4 no N2 H5 H9 101.9 4 4 4 no N2 H5 H10 127.0 4 4 4 no N2 H5 H10 15.9 4 4 4 no N3 H5 N3 102.3 . . . no N3 H5 C1 77.7 . . . no N3 H5 C2 61.0 . . . no N3 H5 C3 57.1 . . . no N3 H5 C5 86.3 . . . no N3 H5 C6 102.7 . . . no N3 H5 C11 156.3 . . . no N3 H5 H1 68.7 . . . no N3 H5 H1 45.9 . . . no N3 H5 H2 78.0 . . . no N3 H5 H3 101.0 . . . no N3 H5 H4 105.3 . . . no N3 H5 H5 126.8 . . . no N3 H5 H8 162.9 . . . no N3 H5 H8 140.0 . . . no N3 H5 H9 157.4 . . . no N3 H5 H10 68.5 . . . no N3 H5 H10 43.2 . . . no N3 H5 C1 58.8 4 4 4 no N3 H5 C2 97.4 4 4 4 no N3 H5 C3 72.9 4 4 4 no N3 H5 C5 135.4 4 4 4 no N3 H5 C6 103.3 4 4 4 no N3 H5 C11 89.7 4 4 4 no N3 H5 H1 49.5 4 4 4 no N3 H5 H1 143.2 4 4 4 no N3 H5 H2 128.5 4 4 4 no N3 H5 H3 133.5 4 4 4 no N3 H5 H4 135.9 4 4 4 no N3 H5 H5 78.0 4 4 4 no N3 H5 H8 94.3 4 4 4 no N3 H5 H8 101.6 4 4 4 no N3 H5 H9 72.6 4 4 4 no N3 H5 H10 135.3 4 4 4 no N3 H5 H10 69.8 4 4 4 no C1 H5 C2 126.9 4 4 4 no C1 H5 C3 102.6 4 4 4 no C1 H5 C5 81.3 4 4 4 no C1 H5 C6 161.2 4 4 4 no C1 H5 C11 91.7 4 4 4 no C1 H5 H1 86.4 4 4 4 no C1 H5 H1 91.6 4 4 4 no C1 H5 H2 71.4 4 4 4 no C1 H5 H3 88.1 4 4 4 no C1 H5 H4 161.2 4 4 4 no C1 H5 H5 135.1 4 4 4 no C1 H5 H8 108.1 4 4 4 no C1 H5 H8 88.0 4 4 4 no C1 H5 H9 81.0 4 4 4 no C1 H5 H10 145.3 4 4 4 no C1 H5 H10 36.1 4 4 4 no C2 H5 C3 27.2 . . . no C2 H5 C5 124.0 . . . no C2 H5 C6 44.3 . . . no C2 H5 C11 138.3 . . . no C2 H5 H1 49.6 . . . no C2 H5 H1 82.9 . . . no C2 H5 H2 124.4 . . . no C2 H5 H3 129.1 . . . no C2 H5 H4 68.1 . . . no C2 H5 H5 66.2 . . . no C2 H5 H8 121.3 . . . no C2 H5 H8 145.0 . . . no C2 H5 H9 140.7 . . . no C2 H5 H10 38.9 . . . no C2 H5 H10 93.2 . . . no C3 H5 C5 140.4 . . . no C3 H5 C6 63.8 . . . no C3 H5 C11 146.5 . . . no C3 H5 H1 23.5 . . . no C3 H5 H1 95.4 . . . no C3 H5 H2 134.6 . . . no C3 H5 H3 151.7 . . . no C3 H5 H4 94.3 . . . no C3 H5 H5 73.2 . . . no C3 H5 H8 133.8 . . . no C3 H5 H8 162.4 . . . no C3 H5 H9 136.6 . . . no C3 H5 H10 65.6 . . . no C3 H5 H10 73.7 . . . no C5 H5 C6 117.5 4_554 4_554 4_554 no C5 H5 C11 71.1 4_554 4_554 4_554 no C5 H5 H1 154.0 4_554 4_554 4_554 no C5 H5 H1 45.1 4_554 4_554 4_554 no C5 H5 H2 11.9 4_554 4_554 4_554 no C5 H5 H3 15.2 4_554 4_554 4_554 no C5 H5 H4 80.4 4_554 4_554 4_554 no C5 H5 H5 130.7 4_554 4_554 4_554 no C5 H5 H8 78.9 4_554 4_554 4_554 no C5 H5 H8 54.4 4_554 4_554 4_554 no C5 H5 H9 82.9 4_554 4_554 4_554 no C5 H5 H10 88.7 4_554 4_554 4_554 no C5 H5 H10 90.2 4_554 4_554 4_554 no C6 H5 C11 94.1 . . . no C6 H5 H1 76.5 . . . no C6 H5 H1 102.1 . . . no C6 H5 H2 127.2 . . . no C6 H5 H3 110.0 . . . no C6 H5 H4 37.2 . . . no C6 H5 H5 31.6 . . . no C6 H5 H8 77.1 . . . no C6 H5 H8 102.4 . . . no C6 H5 H9 99.9 . . . no C6 H5 H10 43.4 . . . no C6 H5 H10 136.8 . . . no C11 H5 H1 132.4 2_455 2_455 2_455 no C11 H5 H1 114.5 2_455 2_455 2_455 no C11 H5 H2 78.6 2_455 2_455 2_455 no C11 H5 H3 57.1 2_455 2_455 2_455 no C11 H5 H4 78.3 2_455 2_455 2_455 no C11 H5 H5 75.4 2_455 2_455 2_455 no C11 H5 H8 17.0 2_455 2_455 2_455 no C11 H5 H8 16.7 2_455 2_455 2_455 no C11 H5 H9 17.3 2_455 2_455 2_455 no C11 H5 H10 116.4 2_455 2_455 2_455 no C11 H5 H10 127.5 2_455 2_455 2_455 no H1 H5 H1 113.1 . . . no H1 H5 H2 143.3 . . . no H1 H5 H3 169.2 . . . no H1 H5 H4 112.1 . . . no H1 H5 H5 73.0 . . . no H1 H5 H8 126.9 . . . no H1 H5 H8 148.2 . . . no H1 H5 H9 117.7 . . . no H1 H5 H10 88.5 . . . no H1 H5 H10 66.9 . . . no H1 H5 H2 41.9 4_554 4_554 4_554 no H1 H5 H3 57.7 4_554 4_554 4_554 no H1 H5 H4 78.4 4_554 4_554 4_554 no H1 H5 H5 133.0 4_554 4_554 4_554 no H1 H5 H8 117.1 4_554 4_554 4_554 no H1 H5 H8 98.4 4_554 4_554 4_554 no H1 H5 H9 128.0 4_554 4_554 4_554 no H1 H5 H10 59.2 4_554 4_554 4_554 no H1 H5 H10 73.4 4_554 4_554 4_554 no H2 H5 H3 26.0 4_554 4_554 4_554 no H2 H5 H4 90.9 4_554 4_554 4_554 no H2 H5 H5 142.6 4_554 4_554 4_554 no H2 H5 H8 88.4 4_554 4_554 4_554 no H2 H5 H8 62.0 4_554 4_554 4_554 no H2 H5 H9 88.0 4_554 4_554 4_554 no H2 H5 H10 93.5 4_554 4_554 4_554 no H2 H5 H10 78.4 4_554 4_554 4_554 no H3 H5 H4 73.1 4_554 4_554 4_554 no H3 H5 H5 117.1 4_554 4_554 4_554 no H3 H5 H8 63.8 4_554 4_554 4_554 no H3 H5 H8 40.7 4_554 4_554 4_554 no H3 H5 H9 70.5 4_554 4_554 4_554 no H3 H5 H10 90.7 4_554 4_554 4_554 no H3 H5 H10 103.4 4_554 4_554 4_554 no H4 H5 H5 58.0 . . . no H4 H5 H8 64.0 . . . no H4 H5 H8 77.9 . . . no H4 H5 H9 92.5 . . . no H4 H5 H10 38.4 . . . no H4 H5 H10 148.0 . . . no H5 H5 H8 60.7 7 7 7 no H5 H5 H8 89.4 7 7 7 no H5 H5 H9 74.6 7 7 7 no H5 H5 H10 75.0 7 7 7 no H5 H5 H10 139.0 7 7 7 no H8 H5 H8 28.7 2_455 2_455 2_455 no H8 H5 H9 28.5 2_455 2_455 2_455 no H8 H5 H10 102.3 2_455 2_455 2_455 no H8 H5 H10 144.1 2_455 2_455 2_455 no H8 H5 H9 30.5 8_455 8_455 8_455 no H8 H5 H10 112.8 8_455 8_455 8_455 no H8 H5 H10 120.9 8_455 8_455 8_455 no H9 H5 H10 130.8 2_455 2_455 2_455 no H9 H5 H10 116.8 2_455 2_455 2_455 no H10 H5 H10 111.6 . . . no O1 H6 O2 97.7 . . . no O1 H6 O3 68.2 . . . no O1 H6 N1 41.6 . . . no O1 H6 N3 79.1 . . . no O1 H6 C1 20.8 . . . no O1 H6 C4 63.1 . . . no O1 H6 C5 85.1 . . . no O1 H6 C7 51.4 . . . no O1 H6 C8 74.0 . . . no O1 H6 C8 60.0 . . . no O1 H6 C8 129.4 . . . no O1 H6 C9 101.1 . . . no O1 H6 C9 75.2 . . . no O1 H6 C9 137.2 . . . no O1 H6 C10 91.2 . . . no O1 H6 C11 66.3 . . . no O1 H6 H3 98.5 . . . no O1 H6 H3 83.3 . . . no O1 H6 H6 54.9 . . . no O1 H6 H6 125.1 . . . no O1 H6 H7 118.2 . . . no O1 H6 H7 138.1 . . . no O1 H6 H9 68.4 . . . no O2 H6 O3 42.8 . . . no O2 H6 N1 78.5 . . . no O2 H6 N3 22.2 . . . no O2 H6 C1 81.3 . . . no O2 H6 C4 61.4 . . . no O2 H6 C5 64.2 . . . no O2 H6 C7 109.1 . . . no O2 H6 C8 139.0 . . . no O2 H6 C8 121.7 . . . no O2 H6 C8 73.0 . . . no O2 H6 C9 154.9 . . . no O2 H6 C9 139.8 . . . no O2 H6 C9 92.3 . . . no O2 H6 C10 153.1 . . . no O2 H6 C11 109.7 . . . no O2 H6 H3 60.8 . . . no O2 H6 H3 78.0 . . . no O2 H6 H6 114.3 . . . no O2 H6 H6 65.7 . . . no O2 H6 H7 144.0 . . . no O2 H6 H7 105.1 . . . no O2 H6 H9 102.4 . . . no O3 H6 N1 76.7 . . . no O3 H6 N3 21.6 . . . no O3 H6 C1 62.6 . . . no O3 H6 C4 75.2 . . . no O3 H6 C5 92.6 . . . no O3 H6 C7 108.8 . . . no O3 H6 C8 141.1 . . . no O3 H6 C8 122.4 . . . no O3 H6 C8 73.0 . . . no O3 H6 C9 162.1 . . . no O3 H6 C9 142.4 . . . no O3 H6 C9 93.4 . . . no O3 H6 C10 158.5 . . . no O3 H6 C11 69.7 . . . no O3 H6 H3 96.0 . . . no O3 H6 H3 104.4 . . . no O3 H6 H6 114.6 . . . no O3 H6 H6 65.4 . . . no O3 H6 H7 149.1 . . . no O3 H6 H7 106.9 . . . no O3 H6 H9 63.3 . . . no N1 H6 N3 72.0 . . . no N1 H6 C1 24.0 . . . no N1 H6 C4 23.0 . . . no N1 H6 C5 43.5 . . . no N1 H6 C7 33.8 . . . no N1 H6 C8 68.8 . . . no N1 H6 C8 48.2 . . . no N1 H6 C8 148.3 . . . no N1 H6 C9 105.3 . . . no N1 H6 C9 70.2 . . . no N1 H6 C9 169.7 . . . no N1 H6 C10 92.0 . . . no N1 H6 C11 107.4 . . . no N1 H6 H3 57.0 . . . no N1 H6 H3 43.3 . . . no N1 H6 H6 39.8 . . . no N1 H6 H6 140.2 . . . no N1 H6 H7 129.6 . . . no N1 H6 H7 176.1 . . . no N1 H6 H9 108.4 . . . no N3 H6 C1 66.5 . . . no N3 H6 C4 62.5 . . . no N3 H6 C5 74.7 . . . no N3 H6 C7 105.7 . . . no N3 H6 C8 140.7 . . . no N3 H6 C8 120.0 . . . no N3 H6 C8 76.4 . . . no N3 H6 C9 175.7 . . . no N3 H6 C9 142.0 . . . no N3 H6 C9 97.8 . . . no N3 H6 C10 163.6 . . . no N3 H6 C11 91.1 . . . no N3 H6 H3 75.8 . . . no N3 H6 H3 87.8 . . . no N3 H6 H6 111.7 . . . no N3 H6 H6 68.3 . . . no N3 H6 H7 158.3 . . . no N3 H6 H7 112.0 . . . no N3 H6 H9 84.4 . . . no C1 H6 C4 43.1 . . . no C1 H6 C5 66.4 . . . no C1 H6 C7 47.3 . . . no C1 H6 C8 78.8 . . . no C1 H6 C8 60.0 . . . no C1 H6 C8 134.3 . . . no C1 H6 C9 112.4 . . . no C1 H6 C9 80.1 . . . no C1 H6 C9 150.6 . . . no C1 H6 C10 100.1 . . . no C1 H6 C11 84.0 . . . no C1 H6 H3 79.4 . . . no C1 H6 H3 67.3 . . . no C1 H6 H6 52.6 . . . no C1 H6 H6 127.4 . . . no C1 H6 H7 133.9 . . . no C1 H6 H7 156.9 . . . no C1 H6 H9 84.5 . . . no C4 H6 C5 24.3 . . . no C4 H6 C7 47.7 . . . no C4 H6 C8 79.8 . . . no C4 H6 C8 60.6 . . . no C4 H6 C8 134.3 . . . no C4 H6 C9 113.7 . . . no C4 H6 C9 80.9 . . . no C4 H6 C9 151.4 . . . no C4 H6 C10 101.4 . . . no C4 H6 C11 126.0 . . . no C4 H6 H3 36.6 . . . no C4 H6 H3 30.8 . . . no C4 H6 H6 53.0 . . . no C4 H6 H6 127.0 . . . no C4 H6 H7 135.5 . . . no C4 H6 H7 158.6 . . . no C4 H6 H9 124.8 . . . no C5 H6 C7 53.0 . . . no C5 H6 C8 74.9 . . . no C5 H6 C8 61.0 . . . no C5 H6 C8 128.4 . . . no C5 H6 C9 101.0 . . . no C5 H6 C9 75.7 . . . no C5 H6 C9 135.8 . . . no C5 H6 C10 91.5 . . . no C5 H6 C11 150.2 . . . no C5 H6 H3 13.5 . . . no C5 H6 H3 13.8 . . . no C5 H6 H6 56.0 . . . no C5 H6 H6 124.0 . . . no C5 H6 H7 117.5 . . . no C5 H6 H7 136.5 . . . no C5 H6 H9 149.0 . . . no C7 H6 C8 35.1 . . . no C7 H6 C8 14.4 . . . no C7 H6 C8 177.9 . . . no C7 H6 C9 71.5 . . . no C7 H6 C9 36.4 . . . no C7 H6 C9 156.5 . . . no C7 H6 C10 58.2 . . . no C7 H6 C11 108.9 . . . no C7 H6 H3 64.1 . . . no C7 H6 H3 42.7 . . . no C7 H6 H6 6.0 . . . no C7 H6 H6 174.0 . . . no C7 H6 H7 95.8 . . . no C7 H6 H7 142.3 . . . no C7 H6 H9 114.1 . . . no C8 H6 C8 20.7 . . . no C8 H6 C8 142.9 . . . no C8 H6 C9 36.4 . . . no C8 H6 C9 1.4 . . . no C8 H6 C9 121.4 . . . no C8 H6 C10 23.1 . . . no C8 H6 C11 103.4 . . . no C8 H6 H3 80.4 . . . no C8 H6 H3 61.3 . . . no C8 H6 H6 29.0 . . . no C8 H6 H6 151.0 . . . no C8 H6 H7 60.7 . . . no C8 H6 H7 107.2 . . . no C8 H6 H9 110.9 . . . no C8 H6 C8 163.5 7 7 7 no C8 H6 C9 57.1 7 7 7 no C8 H6 C9 22.0 7 7 7 no C8 H6 C9 142.1 7 7 7 no C8 H6 C10 43.8 7 7 7 no C8 H6 C11 107.6 7 7 7 no C8 H6 H3 69.9 7 7 7 no C8 H6 H3 48.5 7 7 7 no C8 H6 H6 8.3 7 7 7 no C8 H6 H6 171.7 7 7 7 no C8 H6 H7 81.4 7 7 7 no C8 H6 H7 127.9 7 7 7 no C8 H6 H9 114.1 7 7 7 no C8 H6 C9 106.4 7_545 7_545 7_545 no C8 H6 C9 141.5 7_545 7_545 7_545 no C8 H6 C9 21.4 7_545 7_545 7_545 no C8 H6 C10 119.7 7_545 7_545 7_545 no C8 H6 C11 70.6 7_545 7_545 7_545 no C8 H6 H3 116.9 7_545 7_545 7_545 no C8 H6 H3 138.3 7_545 7_545 7_545 no C8 H6 H6 171.9 7_545 7_545 7_545 no C8 H6 H6 8.1 7_545 7_545 7_545 no C8 H6 H7 82.1 7_545 7_545 7_545 no C8 H6 H7 35.6 7_545 7_545 7_545 no C8 H6 H9 65.7 7_545 7_545 7_545 no C9 H6 C9 35.1 . . . no C9 H6 C9 85.0 . . . no C9 H6 C10 13.3 . . . no C9 H6 C11 93.0 . . . no C9 H6 H3 99.9 . . . no C9 H6 H3 88.0 . . . no C9 H6 H6 65.5 . . . no C9 H6 H6 114.5 . . . no C9 H6 H7 24.3 . . . no C9 H6 H7 70.8 . . . no C9 H6 H9 99.8 . . . no C9 H6 C9 120.1 7 7 7 no C9 H6 C10 21.8 7 7 7 no C9 H6 C11 103.4 7 7 7 no C9 H6 H3 80.8 7 7 7 no C9 H6 H3 62.0 7 7 7 no C9 H6 H6 30.4 7 7 7 no C9 H6 H6 149.6 7 7 7 no C9 H6 H7 59.4 7 7 7 no C9 H6 H7 105.9 7 7 7 no C9 H6 H9 110.9 7 7 7 no C9 H6 C10 98.3 7_545 7_545 7_545 no C9 H6 C11 71.2 7_545 7_545 7_545 no C9 H6 H3 122.3 7_545 7_545 7_545 no C9 H6 H3 139.5 7_545 7_545 7_545 no C9 H6 H6 150.4 7_545 7_545 7_545 no C9 H6 H6 29.6 7_545 7_545 7_545 no C9 H6 H7 60.7 7_545 7_545 7_545 no C9 H6 H7 14.2 7_545 7_545 7_545 no C9 H6 H9 68.8 7_545 7_545 7_545 no C10 H6 C11 97.1 . . . no C10 H6 H3 92.8 . . . no C10 H6 H3 77.9 . . . no C10 H6 H6 52.1 . . . no C10 H6 H6 127.9 . . . no C10 H6 H7 37.6 . . . no C10 H6 H7 84.1 . . . no C10 H6 H9 104.5 . . . no C11 H6 H3 161.9 3_645 3_645 3_645 no C11 H6 H3 149.1 3_645 3_645 3_645 no C11 H6 H6 108.7 3_645 3_645 3_645 no C11 H6 H6 71.3 3_645 3_645 3_645 no C11 H6 H7 85.0 3_645 3_645 3_645 no C11 H6 H7 73.0 3_645 3_645 3_645 no C11 H6 H9 7.5 3_645 3_645 3_645 no H3 H6 H3 21.6 . . . no H3 H6 H6 66.2 . . . no H3 H6 H6 113.8 . . . no H3 H6 H7 111.7 . . . no H3 H6 H7 123.3 . . . no H3 H6 H9 158.2 . . . no H3 H6 H6 44.6 7 7 7 no H3 H6 H6 135.4 7 7 7 no H3 H6 H7 106.4 7 7 7 no H3 H6 H7 135.4 7 7 7 no H3 H6 H9 151.5 7 7 7 no H6 H6 H6 180.0 7 7 7 no H6 H6 H7 89.7 7 7 7 no H6 H6 H7 136.2 7 7 7 no H6 H6 H9 114.5 7 7 7 no H6 H6 H7 90.3 7_545 7_545 7_545 no H6 H6 H7 43.8 7_545 7_545 7_545 no H6 H6 H9 65.5 7_545 7_545 7_545 no H7 H6 H7 46.5 . . . no H7 H6 H9 90.0 . . . no H7 H6 H9 72.5 7_545 7_545 7_545 no C5 H7 C7 143.9 3_646 3_646 3_646 no C5 H7 C8 147.1 3_646 3_646 3_646 no C5 H7 C8 131.9 3_646 3_646 3_646 no C5 H7 C8 96.3 3_646 3_646 3_646 no C5 H7 C8 99.4 3_646 3_646 3_646 no C5 H7 C9 131.3 3_646 3_646 3_646 no C5 H7 C9 115.4 3_646 3_646 3_646 no C5 H7 C9 78.4 3_646 3_646 3_646 no C5 H7 C9 118.9 3_646 3_646 3_646 no C5 H7 C10 102.7 3_646 3_646 3_646 no C5 H7 C10 120.4 3_646 3_646 3_646 no C5 H7 C11 73.7 3_646 3_646 3_646 no C5 H7 H3 14.4 3_646 3_646 3_646 no C5 H7 H3 11.7 3_646 3_646 3_646 no C5 H7 H6 140.8 3_646 3_646 3_646 no C5 H7 H6 108.0 3_646 3_646 3_646 no C5 H7 H7 108.4 3_646 3_646 3_646 no C5 H7 H7 71.6 3_646 3_646 3_646 no C5 H7 H7 130.2 3_646 3_646 3_646 no C5 H7 H8 52.7 3_646 3_646 3_646 no C5 H7 H8 73.6 3_646 3_646 3_646 no C5 H7 H9 80.2 3_646 3_646 3_646 no C5 H7 H9 140.1 3_646 3_646 3_646 no C7 H7 C8 14.2 . . . no C7 H7 C8 21.4 . . . no C7 H7 C8 98.5 . . . no C7 H7 C8 109.7 . . . no C7 H7 C9 22.3 . . . no C7 H7 C9 43.3 . . . no C7 H7 C9 119.9 . . . no C7 H7 C9 93.7 . . . no C7 H7 C10 59.1 . . . no C7 H7 C10 95.7 . . . no C7 H7 C11 93.5 . . . no C7 H7 H3 147.3 . . . no C7 H7 H3 133.1 . . . no C7 H7 H6 38.4 . . . no C7 H7 H6 84.4 . . . no C7 H7 H7 51.9 . . . no C7 H7 H7 128.1 . . . no C7 H7 H7 79.5 . . . no C7 H7 H8 111.3 . . . no C7 H7 H8 88.8 . . . no C7 H7 H9 98.0 . . . no C7 H7 H9 73.2 . . . no C8 H7 C8 35.6 . . . no C8 H7 C8 84.3 . . . no C8 H7 C8 112.8 . . . no C8 H7 C9 36.5 . . . no C8 H7 C9 57.5 . . . no C8 H7 C9 105.7 . . . no C8 H7 C9 94.0 . . . no C8 H7 C10 73.3 . . . no C8 H7 C10 90.8 . . . no C8 H7 C11 107.7 . . . no C8 H7 H3 144.3 . . . no C8 H7 H3 138.7 . . . no C8 H7 H6 24.2 . . . no C8 H7 H6 70.2 . . . no C8 H7 H7 66.1 . . . no C8 H7 H7 113.9 . . . no C8 H7 H7 81.7 . . . no C8 H7 H8 125.2 . . . no C8 H7 H8 102.8 . . . no C8 H7 H9 111.5 . . . no C8 H7 H9 64.1 . . . no C8 H7 C8 119.8 7 7 7 no C8 H7 C8 102.9 7 7 7 no C8 H7 C9 0.9 7 7 7 no C8 H7 C9 22.0 7 7 7 no C8 H7 C9 141.3 7 7 7 no C8 H7 C9 92.9 7 7 7 no C8 H7 C10 37.7 7 7 7 no C8 H7 C10 102.3 7 7 7 no C8 H7 C11 72.2 7 7 7 no C8 H7 H3 142.2 7 7 7 no C8 H7 H3 120.2 7 7 7 no C8 H7 H6 59.8 7 7 7 no C8 H7 H6 105.7 7 7 7 no C8 H7 H7 30.5 7 7 7 no C8 H7 H7 149.5 7 7 7 no C8 H7 H7 77.6 7 7 7 no C8 H7 H8 90.3 7 7 7 no C8 H7 H8 67.6 7 7 7 no C8 H7 H9 77.6 7 7 7 no C8 H7 H9 88.0 7 7 7 no C8 H7 C8 101.2 7_545 7_545 7_545 no C8 H7 C9 120.7 7_545 7_545 7_545 no C8 H7 C9 141.8 7_545 7_545 7_545 no C8 H7 C9 21.4 7_545 7_545 7_545 no C8 H7 C9 91.1 7_545 7_545 7_545 no C8 H7 C10 157.5 7_545 7_545 7_545 no C8 H7 C10 69.9 7_545 7_545 7_545 no C8 H7 C11 168.0 7_545 7_545 7_545 no C8 H7 H3 81.9 7_545 7_545 7_545 no C8 H7 H3 105.2 7_545 7_545 7_545 no C8 H7 H6 60.1 7_545 7_545 7_545 no C8 H7 H6 14.1 7_545 7_545 7_545 no C8 H7 H7 150.3 7_545 7_545 7_545 no C8 H7 H7 29.7 7_545 7_545 7_545 no C8 H7 H7 98.8 7_545 7_545 7_545 no C8 H7 H8 148.2 7_545 7_545 7_545 no C8 H7 H8 169.6 7_545 7_545 7_545 no C8 H7 H9 156.1 7_545 7_545 7_545 no C8 H7 H9 53.6 7_545 7_545 7_545 no C8 H7 C9 102.6 5_655 5_655 5_655 no C8 H7 C9 94.3 5_655 5_655 5_655 no C8 H7 C9 92.6 5_655 5_655 5_655 no C8 H7 C9 20.8 5_655 5_655 5_655 no C8 H7 C10 87.5 5_655 5_655 5_655 no C8 H7 C10 36.6 5_655 5_655 5_655 no C8 H7 C11 74.5 5_655 5_655 5_655 no C8 H7 H3 102.2 5_655 5_655 5_655 no C8 H7 H3 104.7 5_655 5_655 5_655 no C8 H7 H6 114.8 5_655 5_655 5_655 no C8 H7 H6 106.3 5_655 5_655 5_655 no C8 H7 H7 90.8 5_655 5_655 5_655 no C8 H7 H7 89.2 5_655 5_655 5_655 no C8 H7 H7 31.1 5_655 5_655 5_655 no C8 H7 H8 79.7 5_655 5_655 5_655 no C8 H7 H8 83.2 5_655 5_655 5_655 no C8 H7 H9 56.7 5_655 5_655 5_655 no C8 H7 H9 67.1 5_655 5_655 5_655 no C9 H7 C9 21.0 . . . no C9 H7 C9 142.2 . . . no C9 H7 C9 92.8 . . . no C9 H7 C10 36.8 . . . no C9 H7 C10 102.6 . . . no C9 H7 C11 71.2 . . . no C9 H7 H3 141.8 . . . no C9 H7 H3 119.6 . . . no C9 H7 H6 60.7 . . . no C9 H7 H6 106.7 . . . no C9 H7 H7 29.6 . . . no C9 H7 H7 150.4 . . . no C9 H7 H7 77.5 . . . no C9 H7 H8 89.4 . . . no C9 H7 H8 66.7 . . . no C9 H7 H9 76.7 . . . no C9 H7 H9 88.6 . . . no C9 H7 C9 163.2 7 7 7 no C9 H7 C9 91.6 7 7 7 no C9 H7 C10 15.8 7 7 7 no C9 H7 C10 107.5 7 7 7 no C9 H7 C11 50.2 7 7 7 no C9 H7 H3 128.6 7 7 7 no C9 H7 H3 104.2 7 7 7 no C9 H7 H6 81.7 7 7 7 no C9 H7 H6 127.7 7 7 7 no C9 H7 H7 8.6 7 7 7 no C9 H7 H7 171.4 7 7 7 no C9 H7 H7 77.3 7 7 7 no C9 H7 H8 68.8 7 7 7 no C9 H7 H8 45.9 7 7 7 no C9 H7 H9 56.8 7 7 7 no C9 H7 H9 103.3 7 7 7 no C9 H7 C9 89.5 7_545 7_545 7_545 no C9 H7 C10 178.9 7_545 7_545 7_545 no C9 H7 C10 70.2 7_545 7_545 7_545 no C9 H7 C11 146.6 7_545 7_545 7_545 no C9 H7 H3 64.3 7_545 7_545 7_545 no C9 H7 H3 88.7 7_545 7_545 7_545 no C9 H7 H6 81.5 7_545 7_545 7_545 no C9 H7 H6 35.5 7_545 7_545 7_545 no C9 H7 H7 171.8 7_545 7_545 7_545 no C9 H7 H7 8.2 7_545 7_545 7_545 no C9 H7 H7 101.6 7_545 7_545 7_545 no C9 H7 H8 127.6 7_545 7_545 7_545 no C9 H7 H8 150.5 7_545 7_545 7_545 no C9 H7 H9 138.6 7_545 7_545 7_545 no C9 H7 H9 65.6 7_545 7_545 7_545 no C9 H7 C10 90.2 5_655 5_655 5_655 no C9 H7 C10 21.2 5_655 5_655 5_655 no C9 H7 C11 88.2 5_655 5_655 5_655 no C9 H7 H3 119.0 5_655 5_655 5_655 no C9 H7 H3 125.2 5_655 5_655 5_655 no C9 H7 H6 94.1 5_655 5_655 5_655 no C9 H7 H6 92.1 5_655 5_655 5_655 no C9 H7 H7 91.0 5_655 5_655 5_655 no C9 H7 H7 89.0 5_655 5_655 5_655 no C9 H7 H7 15.3 5_655 5_655 5_655 no C9 H7 H8 97.9 5_655 5_655 5_655 no C9 H7 H8 95.9 5_655 5_655 5_655 no C9 H7 H9 70.7 5_655 5_655 5_655 no C9 H7 H9 47.8 5_655 5_655 5_655 no C10 H7 C10 109.4 . . . no C10 H7 C11 34.5 . . . no C10 H7 H3 116.8 . . . no C10 H7 H3 92.3 . . . no C10 H7 H6 97.5 . . . no C10 H7 H6 143.4 . . . no C10 H7 H7 7.2 . . . no C10 H7 H7 172.8 . . . no C10 H7 H7 78.0 . . . no C10 H7 H8 53.5 . . . no C10 H7 H8 30.6 . . . no C10 H7 H9 42.2 . . . no C10 H7 H9 113.5 . . . no C10 H7 C11 109.1 3_645 3_645 3_645 no C10 H7 H3 114.7 3_645 3_645 3_645 no C10 H7 H3 130.3 3_645 3_645 3_645 no C10 H7 H6 82.7 3_645 3_645 3_645 no C10 H7 H6 71.3 3_645 3_645 3_645 no C10 H7 H7 108.9 3_645 3_645 3_645 no C10 H7 H7 71.1 3_645 3_645 3_645 no C10 H7 H7 31.4 3_645 3_645 3_645 no C10 H7 H8 116.3 3_645 3_645 3_645 no C10 H7 H8 117.1 3_645 3_645 3_645 no C10 H7 H9 91.3 3_645 3_645 3_645 no C10 H7 H9 31.6 3_645 3_645 3_645 no C11 H7 H3 88.0 . . . no C11 H7 H3 66.0 . . . no C11 H7 H6 131.9 . . . no C11 H7 H6 177.9 . . . no C11 H7 H7 41.6 . . . no C11 H7 H7 138.4 . . . no C11 H7 H7 83.3 . . . no C11 H7 H8 21.0 . . . no C11 H7 H8 8.9 . . . no C11 H7 H9 17.9 . . . no C11 H7 H9 131.2 . . . no H3 H7 H3 24.5 3_646 3_646 3_646 no H3 H7 H6 130.4 3_646 3_646 3_646 no H3 H7 H6 93.7 3_646 3_646 3_646 no H3 H7 H7 122.2 3_646 3_646 3_646 no H3 H7 H7 57.8 3_646 3_646 3_646 no H3 H7 H7 132.9 3_646 3_646 3_646 no H3 H7 H8 67.0 3_646 3_646 3_646 no H3 H7 H8 88.0 3_646 3_646 3_646 no H3 H7 H9 93.4 3_646 3_646 3_646 no H3 H7 H9 128.0 3_646 3_646 3_646 no H3 H7 H6 139.5 5_656 5_656 5_656 no H3 H7 H6 115.5 5_656 5_656 5_656 no H3 H7 H7 97.7 5_656 5_656 5_656 no H3 H7 H7 82.3 5_656 5_656 5_656 no H3 H7 H7 133.9 5_656 5_656 5_656 no H3 H7 H8 45.6 5_656 5_656 5_656 no H3 H7 H8 64.5 5_656 5_656 5_656 no H3 H7 H9 75.3 5_656 5_656 5_656 no H3 H7 H9 151.8 5_656 5_656 5_656 no H6 H7 H6 46.0 . . . no H6 H7 H7 90.3 . . . no H6 H7 H7 89.7 . . . no H6 H7 H7 86.6 . . . no H6 H7 H8 148.3 . . . no H6 H7 H8 126.7 . . . no H6 H7 H9 134.1 . . . no H6 H7 H9 51.5 . . . no H6 H7 H7 136.2 7_545 7_545 7_545 no H6 H7 H7 43.8 7_545 7_545 7_545 no H6 H7 H7 96.4 7_545 7_545 7_545 no H6 H7 H8 160.7 7_545 7_545 7_545 no H6 H7 H8 169.8 7_545 7_545 7_545 no H6 H7 H9 162.7 7_545 7_545 7_545 no H6 H7 H9 48.2 7_545 7_545 7_545 no H7 H7 H7 180.0 7 7 7 no H7 H7 H7 77.8 7 7 7 no H7 H7 H8 60.4 7 7 7 no H7 H7 H8 37.5 7 7 7 no H7 H7 H9 48.9 7 7 7 no H7 H7 H9 109.1 7 7 7 no H7 H7 H7 102.2 7_545 7_545 7_545 no H7 H7 H8 119.6 7_545 7_545 7_545 no H7 H7 H8 142.5 7_545 7_545 7_545 no H7 H7 H9 131.1 7_545 7_545 7_545 no H7 H7 H9 70.9 7_545 7_545 7_545 no H7 H7 H8 97.5 5_655 5_655 5_655 no H7 H7 H8 89.8 5_655 5_655 5_655 no H7 H7 H9 67.4 5_655 5_655 5_655 no H7 H7 H9 48.5 5_655 5_655 5_655 no H8 H7 H8 22.9 . . . no H8 H7 H9 30.9 . . . no H8 H7 H9 145.4 . . . no H8 H7 H9 26.5 7 7 7 no H8 H7 H9 136.3 7 7 7 no H9 H7 H9 115.9 . . . no O1 H8 O2 110.4 3_645 3_645 3_645 no O1 H8 C5 63.4 3_645 3_645 3_645 no O1 H8 C6 72.4 3_645 3_645 3_645 no O1 H8 C8 111.2 3_645 3_645 3_645 no O1 H8 C9 106.9 3_645 3_645 3_645 no O1 H8 C9 138.2 3_645 3_645 3_645 no O1 H8 C10 126.9 3_645 3_645 3_645 no O1 H8 C11 120.4 3_645 3_645 3_645 no O1 H8 H2 47.6 3_645 3_645 3_645 no O1 H8 H3 61.9 3_645 3_645 3_645 no O1 H8 H3 143.5 3_645 3_645 3_645 no O1 H8 H3 75.7 3_645 3_645 3_645 no O1 H8 H4 83.6 3_645 3_645 3_645 no O1 H8 H5 82.0 3_645 3_645 3_645 no O1 H8 H5 55.4 3_645 3_645 3_645 no O1 H8 H7 88.5 3_645 3_645 3_645 no O1 H8 H7 142.6 3_645 3_645 3_645 no O1 H8 H8 135.5 3_645 3_645 3_645 no O1 H8 H9 85.5 3_645 3_645 3_645 no O2 H8 C5 65.7 3_656 3_656 3_656 no O2 H8 C6 58.3 3_656 3_656 3_656 no O2 H8 C8 126.6 3_656 3_656 3_656 no O2 H8 C9 130.6 3_656 3_656 3_656 no O2 H8 C9 111.2 3_656 3_656 3_656 no O2 H8 C10 122.5 3_656 3_656 3_656 no O2 H8 C11 111.7 3_656 3_656 3_656 no O2 H8 H2 71.5 3_656 3_656 3_656 no O2 H8 H3 77.7 3_656 3_656 3_656 no O2 H8 H3 51.1 3_656 3_656 3_656 no O2 H8 H3 60.6 3_656 3_656 3_656 no O2 H8 H4 40.8 3_656 3_656 3_656 no O2 H8 H5 65.0 3_656 3_656 3_656 no O2 H8 H5 69.4 3_656 3_656 3_656 no O2 H8 H7 133.0 3_656 3_656 3_656 no O2 H8 H7 102.3 3_656 3_656 3_656 no O2 H8 H8 76.6 3_656 3_656 3_656 no O2 H8 H9 127.6 3_656 3_656 3_656 no C5 H8 C6 84.5 3_646 3_646 3_646 no C5 H8 C8 106.3 3_646 3_646 3_646 no C5 H8 C9 105.8 3_646 3_646 3_646 no C5 H8 C9 141.7 3_646 3_646 3_646 no C5 H8 C10 133.9 3_646 3_646 3_646 no C5 H8 C11 176.2 3_646 3_646 3_646 no C5 H8 H2 17.9 3_646 3_646 3_646 no C5 H8 H3 13.8 3_646 3_646 3_646 no C5 H8 H3 116.1 3_646 3_646 3_646 no C5 H8 H3 12.6 3_646 3_646 3_646 no C5 H8 H4 77.1 3_646 3_646 3_646 no C5 H8 H5 101.4 3_646 3_646 3_646 no C5 H8 H5 76.9 3_646 3_646 3_646 no C5 H8 H7 87.9 3_646 3_646 3_646 no C5 H8 H7 151.1 3_646 3_646 3_646 no C5 H8 H8 142.3 3_646 3_646 3_646 no C5 H8 H9 148.7 3_646 3_646 3_646 no C6 H8 C8 169.1 2 2 2 no C6 H8 C9 168.4 2 2 2 no C6 H8 C9 128.1 2 2 2 no C6 H8 C10 140.7 2 2 2 no C6 H8 C11 96.5 2 2 2 no C6 H8 H2 72.7 2 2 2 no C6 H8 H3 96.8 2 2 2 no C6 H8 H3 71.3 2 2 2 no C6 H8 H3 91.0 2 2 2 no C6 H8 H4 17.5 2 2 2 no C6 H8 H5 17.0 2 2 2 no C6 H8 H5 17.0 2 2 2 no C6 H8 H7 160.9 2 2 2 no C6 H8 H7 112.4 2 2 2 no C6 H8 H8 75.8 2 2 2 no C6 H8 H9 82.4 2 2 2 no C8 H8 C9 4.4 . . . no C8 H8 C9 42.4 . . . no C8 H8 C10 29.0 . . . no C8 H8 C11 72.8 . . . no C8 H8 H2 117.5 . . . no C8 H8 H3 93.8 . . . no C8 H8 H3 103.9 . . . no C8 H8 H3 99.8 . . . no C8 H8 H4 164.9 . . . no C8 H8 H5 152.3 . . . no C8 H8 H5 163.8 . . . no C8 H8 H7 24.7 . . . no C8 H8 H7 58.2 . . . no C8 H8 H8 95.5 . . . no C8 H8 H9 87.7 . . . no C9 H8 C9 45.0 . . . no C9 H8 C10 31.0 . . . no C9 H8 C11 73.7 . . . no C9 H8 H2 115.8 . . . no C9 H8 H3 92.9 . . . no C9 H8 H3 107.8 . . . no C9 H8 H3 100.1 . . . no C9 H8 H4 169.4 . . . no C9 H8 H5 152.6 . . . no C9 H8 H5 159.5 . . . no C9 H8 H7 21.5 . . . no C9 H8 H7 60.7 . . . no C9 H8 H8 98.2 . . . no C9 H8 H9 86.0 . . . no C9 H8 C10 14.7 7 7 7 no C9 H8 C11 35.8 7 7 7 no C9 H8 H2 157.9 7 7 7 no C9 H8 H3 132.7 7 7 7 no C9 H8 H3 67.1 7 7 7 no C9 H8 H3 130.6 7 7 7 no C9 H8 H4 127.2 7 7 7 no C9 H8 H5 111.6 7 7 7 no C9 H8 H5 140.0 7 7 7 no C9 H8 H7 66.4 7 7 7 no C9 H8 H7 15.8 7 7 7 no C9 H8 H8 53.2 7 7 7 no C9 H8 H9 65.6 7 7 7 no C10 H8 C11 44.7 . . . no C10 H8 H2 146.5 . . . no C10 H8 H3 122.4 . . . no C10 H8 H3 81.5 . . . no C10 H8 H3 125.1 . . . no C10 H8 H4 141.8 . . . no C10 H8 H5 123.7 . . . no C10 H8 H5 148.8 . . . no C10 H8 H7 52.1 . . . no C10 H8 H7 30.0 . . . no C10 H8 H8 67.5 . . . no C10 H8 H9 67.6 . . . no C11 H8 H2 165.3 . . . no C11 H8 H3 166.5 . . . no C11 H8 H3 60.9 . . . no C11 H8 H3 163.7 . . . no C11 H8 H4 102.7 . . . no C11 H8 H5 79.5 . . . no C11 H8 H5 105.0 . . . no C11 H8 H7 92.3 . . . no C11 H8 H7 25.5 . . . no C11 H8 H8 35.2 . . . no C11 H8 H9 35.1 . . . no H2 H8 H3 25.2 3_646 3_646 3_646 no H2 H8 H3 122.1 3_646 3_646 3_646 no H2 H8 H3 30.4 3_646 3_646 3_646 no H2 H8 H4 69.9 3_646 3_646 3_646 no H2 H8 H5 89.6 3_646 3_646 3_646 no H2 H8 H5 62.0 3_646 3_646 3_646 no H2 H8 H7 95.3 3_646 3_646 3_646 no H2 H8 H7 168.9 3_646 3_646 3_646 no H2 H8 H8 143.6 3_646 3_646 3_646 no H2 H8 H9 131.3 3_646 3_646 3_646 no H3 H8 H3 126.4 3_646 3_646 3_646 no H3 H8 H3 17.9 3_646 3_646 3_646 no H3 H8 H4 90.7 3_646 3_646 3_646 no H3 H8 H5 113.8 3_646 3_646 3_646 no H3 H8 H5 87.2 3_646 3_646 3_646 no H3 H8 H7 74.3 3_646 3_646 3_646 no H3 H8 H7 145.8 3_646 3_646 3_646 no H3 H8 H8 153.3 3_646 3_646 3_646 no H3 H8 H9 145.5 3_646 3_646 3_646 no H3 H8 H3 108.5 3_656 3_656 3_656 no H3 H8 H4 62.2 3_656 3_656 3_656 no H3 H8 H5 61.9 3_656 3_656 3_656 no H3 H8 H5 88.3 3_656 3_656 3_656 no H3 H8 H7 127.7 3_656 3_656 3_656 no H3 H8 H7 54.0 3_656 3_656 3_656 no H3 H8 H8 26.9 3_656 3_656 3_656 no H3 H8 H9 86.2 3_656 3_656 3_656 no H3 H8 H4 80.6 5_656 5_656 5_656 no H3 H8 H5 107.2 5_656 5_656 5_656 no H3 H8 H5 86.1 5_656 5_656 5_656 no H3 H8 H7 85.1 5_656 5_656 5_656 no H3 H8 H7 138.6 5_656 5_656 5_656 no H3 H8 H8 135.3 5_656 5_656 5_656 no H3 H8 H9 161.1 5_656 5_656 5_656 no H4 H8 H5 28.0 2 2 2 no H4 H8 H5 30.7 2 2 2 no H4 H8 H7 165.0 2 2 2 no H4 H8 H7 111.8 2 2 2 no H4 H8 H8 74.5 2 2 2 no H4 H8 H9 96.7 2 2 2 no H5 H8 H5 29.9 2 2 2 no H5 H8 H7 161.9 2 2 2 no H5 H8 H7 96.2 2 2 2 no H5 H8 H8 60.7 2 2 2 no H5 H8 H9 68.6 2 2 2 no H5 H8 H7 143.9 8 8 8 no H5 H8 H7 125.3 8 8 8 no H5 H8 H8 90.6 8 8 8 no H5 H8 H9 82.4 8 8 8 no H7 H8 H7 82.1 . . . no H7 H8 H8 119.6 . . . no H7 H8 H9 95.4 . . . no H7 H8 H8 37.5 7 7 7 no H7 H8 H9 59.8 7 7 7 no H8 H8 H9 60.0 7 7 7 no O1 H9 O1 124.3 3_645 3_645 3_645 no O1 H9 O3 64.8 3_645 3_645 3_645 no O1 H9 C6 67.6 3_645 3_645 3_645 no O1 H9 C8 121.7 3_645 3_645 3_645 no O1 H9 C8 57.0 3_645 3_645 3_645 no O1 H9 C9 94.6 3_645 3_645 3_645 no O1 H9 C9 140.5 3_645 3_645 3_645 no O1 H9 C9 129.1 3_645 3_645 3_645 no O1 H9 C9 71.5 3_645 3_645 3_645 no O1 H9 C10 116.9 3_645 3_645 3_645 no O1 H9 C11 104.1 3_645 3_645 3_645 no O1 H9 H3 126.1 3_645 3_645 3_645 no O1 H9 H3 57.9 3_645 3_645 3_645 no O1 H9 H4 73.1 3_645 3_645 3_645 no O1 H9 H5 81.1 3_645 3_645 3_645 no O1 H9 H5 51.4 3_645 3_645 3_645 no O1 H9 H6 106.3 3_645 3_645 3_645 no O1 H9 H6 63.2 3_645 3_645 3_645 no O1 H9 H7 76.3 3_645 3_645 3_645 no O1 H9 H7 157.8 3_645 3_645 3_645 no O1 H9 H7 120.5 3_645 3_645 3_645 no O1 H9 H7 86.0 3_645 3_645 3_645 no O1 H9 H8 69.1 3_645 3_645 3_645 no O1 H9 H8 121.9 3_645 3_645 3_645 no O1 H9 O3 64.8 3_655 3_655 3_655 no O1 H9 C6 67.6 3_655 3_655 3_655 no O1 H9 C8 57.0 3_655 3_655 3_655 no O1 H9 C8 121.7 3_655 3_655 3_655 no O1 H9 C9 140.5 3_655 3_655 3_655 no O1 H9 C9 94.6 3_655 3_655 3_655 no O1 H9 C9 71.5 3_655 3_655 3_655 no O1 H9 C9 129.1 3_655 3_655 3_655 no O1 H9 C10 116.9 3_655 3_655 3_655 no O1 H9 C11 104.1 3_655 3_655 3_655 no O1 H9 H3 57.9 3_655 3_655 3_655 no O1 H9 H3 126.1 3_655 3_655 3_655 no O1 H9 H4 73.1 3_655 3_655 3_655 no O1 H9 H5 51.4 3_655 3_655 3_655 no O1 H9 H5 81.1 3_655 3_655 3_655 no O1 H9 H6 63.2 3_655 3_655 3_655 no O1 H9 H6 106.3 3_655 3_655 3_655 no O1 H9 H7 157.8 3_655 3_655 3_655 no O1 H9 H7 76.3 3_655 3_655 3_655 no O1 H9 H7 86.0 3_655 3_655 3_655 no O1 H9 H7 120.5 3_655 3_655 3_655 no O1 H9 H8 121.9 3_655 3_655 3_655 no O1 H9 H8 69.1 3_655 3_655 3_655 no O3 H9 C6 59.4 3_655 3_655 3_655 no O3 H9 C8 69.9 3_655 3_655 3_655 no O3 H9 C8 69.9 3_655 3_655 3_655 no O3 H9 C9 152.0 3_655 3_655 3_655 no O3 H9 C9 152.0 3_655 3_655 3_655 no O3 H9 C9 89.5 3_655 3_655 3_655 no O3 H9 C9 89.5 3_655 3_655 3_655 no O3 H9 C10 170.1 3_655 3_655 3_655 no O3 H9 C11 145.5 3_655 3_655 3_655 no O3 H9 H3 111.7 3_655 3_655 3_655 no O3 H9 H3 111.7 3_655 3_655 3_655 no O3 H9 H4 75.5 3_655 3_655 3_655 no O3 H9 H5 55.7 3_655 3_655 3_655 no O3 H9 H5 55.7 3_655 3_655 3_655 no O3 H9 H6 58.1 3_655 3_655 3_655 no O3 H9 H6 58.1 3_655 3_655 3_655 no O3 H9 H7 137.4 3_655 3_655 3_655 no O3 H9 H7 137.4 3_655 3_655 3_655 no O3 H9 H7 95.4 3_655 3_655 3_655 no O3 H9 H7 95.4 3_655 3_655 3_655 no O3 H9 H8 120.8 3_655 3_655 3_655 no O3 H9 H8 120.8 3_655 3_655 3_655 no C6 H9 C8 116.3 2 2 2 no C6 H9 C8 116.3 2 2 2 no C6 H9 C9 132.2 2 2 2 no C6 H9 C9 132.2 2 2 2 no C6 H9 C9 136.2 2 2 2 no C6 H9 C9 136.2 2 2 2 no C6 H9 C10 130.5 2 2 2 no C6 H9 C11 86.1 2 2 2 no C6 H9 H3 66.6 2 2 2 no C6 H9 H3 66.6 2 2 2 no C6 H9 H4 16.1 2 2 2 no C6 H9 H5 16.3 2 2 2 no C6 H9 H5 16.3 2 2 2 no C6 H9 H6 111.6 2 2 2 no C6 H9 H6 111.6 2 2 2 no C6 H9 H7 120.9 2 2 2 no C6 H9 H7 120.9 2 2 2 no C6 H9 H7 149.0 2 2 2 no C6 H9 H7 149.0 2 2 2 no C6 H9 H8 70.1 2 2 2 no C6 H9 H8 70.1 2 2 2 no C8 H9 C8 74.5 3_655 3_655 3_655 no C8 H9 C9 110.8 3_655 3_655 3_655 no C8 H9 C9 83.2 3_655 3_655 3_655 no C8 H9 C9 21.0 3_655 3_655 3_655 no C8 H9 C9 73.5 3_655 3_655 3_655 no C8 H9 C10 102.4 3_655 3_655 3_655 no C8 H9 C11 133.6 3_655 3_655 3_655 no C8 H9 H3 103.4 3_655 3_655 3_655 no C8 H9 H3 176.8 3_655 3_655 3_655 no C8 H9 H4 127.5 3_655 3_655 3_655 no C8 H9 H5 101.9 3_655 3_655 3_655 no C8 H9 H5 121.9 3_655 3_655 3_655 no C8 H9 H6 15.3 3_655 3_655 3_655 no C8 H9 H6 62.4 3_655 3_655 3_655 no C8 H9 H7 122.3 3_655 3_655 3_655 no C8 H9 H7 74.9 3_655 3_655 3_655 no C8 H9 H7 32.8 3_655 3_655 3_655 no C8 H9 H7 63.6 3_655 3_655 3_655 no C8 H9 H8 168.5 3_655 3_655 3_655 no C8 H9 H8 112.0 3_655 3_655 3_655 no C8 H9 C9 83.2 5_655 5_655 5_655 no C8 H9 C9 110.8 5_655 5_655 5_655 no C8 H9 C9 73.5 5_655 5_655 5_655 no C8 H9 C9 21.0 5_655 5_655 5_655 no C8 H9 C10 102.4 5_655 5_655 5_655 no C8 H9 C11 133.6 5_655 5_655 5_655 no C8 H9 H3 176.8 5_655 5_655 5_655 no C8 H9 H3 103.4 5_655 5_655 5_655 no C8 H9 H4 127.5 5_655 5_655 5_655 no C8 H9 H5 121.9 5_655 5_655 5_655 no C8 H9 H5 101.9 5_655 5_655 5_655 no C8 H9 H6 62.4 5_655 5_655 5_655 no C8 H9 H6 15.3 5_655 5_655 5_655 no C8 H9 H7 74.9 5_655 5_655 5_655 no C8 H9 H7 122.3 5_655 5_655 5_655 no C8 H9 H7 63.6 5_655 5_655 5_655 no C8 H9 H7 32.8 5_655 5_655 5_655 no C8 H9 H8 112.0 5_655 5_655 5_655 no C8 H9 H8 168.5 5_655 5_655 5_655 no C9 H9 C9 46.1 . . . no C9 H9 C9 89.9 . . . no C9 H9 C9 65.1 . . . no C9 H9 C10 23.9 . . . no C9 H9 C11 54.5 . . . no C9 H9 H3 95.6 . . . no C9 H9 H3 66.5 . . . no C9 H9 H4 118.1 . . . no C9 H9 H5 143.6 . . . no C9 H9 H5 126.6 . . . no C9 H9 H6 115.9 . . . no C9 H9 H6 96.5 . . . no C9 H9 H7 18.4 . . . no C9 H9 H7 64.3 . . . no C9 H9 H7 78.5 . . . no C9 H9 H7 63.0 . . . no C9 H9 H8 62.2 . . . no C9 H9 H8 85.6 . . . no C9 H9 C9 65.1 7 7 7 no C9 H9 C9 89.9 7 7 7 no C9 H9 C10 23.9 7 7 7 no C9 H9 C11 54.5 7 7 7 no C9 H9 H3 66.5 7 7 7 no C9 H9 H3 95.6 7 7 7 no C9 H9 H4 118.1 7 7 7 no C9 H9 H5 126.6 7 7 7 no C9 H9 H5 143.6 7 7 7 no C9 H9 H6 96.5 7 7 7 no C9 H9 H6 115.9 7 7 7 no C9 H9 H7 64.3 7 7 7 no C9 H9 H7 18.4 7 7 7 no C9 H9 H7 63.0 7 7 7 no C9 H9 H7 78.5 7 7 7 no C9 H9 H8 85.6 7 7 7 no C9 H9 H8 62.2 7 7 7 no C9 H9 C9 64.8 3_655 3_655 3_655 no C9 H9 C10 82.1 3_655 3_655 3_655 no C9 H9 C11 119.0 3_655 3_655 3_655 no C9 H9 H3 103.7 3_655 3_655 3_655 no C9 H9 H3 156.4 3_655 3_655 3_655 no C9 H9 H4 144.6 3_655 3_655 3_655 no C9 H9 H5 120.8 3_655 3_655 3_655 no C9 H9 H5 142.9 3_655 3_655 3_655 no C9 H9 H6 31.6 3_655 3_655 3_655 no C9 H9 H6 65.9 3_655 3_655 3_655 no C9 H9 H7 102.9 3_655 3_655 3_655 no C9 H9 H7 61.1 3_655 3_655 3_655 no C9 H9 H7 14.5 3_655 3_655 3_655 no C9 H9 H7 51.8 3_655 3_655 3_655 no C9 H9 H8 149.5 3_655 3_655 3_655 no C9 H9 H8 109.0 3_655 3_655 3_655 no C9 H9 C10 82.1 5_655 5_655 5_655 no C9 H9 C11 119.0 5_655 5_655 5_655 no C9 H9 H3 156.4 5_655 5_655 5_655 no C9 H9 H3 103.7 5_655 5_655 5_655 no C9 H9 H4 144.6 5_655 5_655 5_655 no C9 H9 H5 142.9 5_655 5_655 5_655 no C9 H9 H5 120.8 5_655 5_655 5_655 no C9 H9 H6 65.9 5_655 5_655 5_655 no C9 H9 H6 31.6 5_655 5_655 5_655 no C9 H9 H7 61.1 5_655 5_655 5_655 no C9 H9 H7 102.9 5_655 5_655 5_655 no C9 H9 H7 51.8 5_655 5_655 5_655 no C9 H9 H7 14.5 5_655 5_655 5_655 no C9 H9 H8 109.0 5_655 5_655 5_655 no C9 H9 H8 149.5 5_655 5_655 5_655 no C10 H9 C11 44.4 . . . no C10 H9 H3 75.7 . . . no C10 H9 H3 75.7 . . . no C10 H9 H4 114.4 . . . no C10 H9 H5 133.7 . . . no C10 H9 H5 133.7 . . . no C10 H9 H6 113.1 . . . no C10 H9 H6 113.1 . . . no C10 H9 H7 41.2 . . . no C10 H9 H7 41.2 . . . no C10 H9 H7 75.2 . . . no C10 H9 H7 75.2 . . . no C10 H9 H8 67.4 . . . no C10 H9 H8 67.4 . . . no C11 H9 H3 46.4 . . . no C11 H9 H3 46.4 . . . no C11 H9 H4 70.0 . . . no C11 H9 H5 91.3 . . . no C11 H9 H5 91.3 . . . no C11 H9 H6 148.8 . . . no C11 H9 H6 148.8 . . . no C11 H9 H7 59.0 . . . no C11 H9 H7 59.0 . . . no C11 H9 H7 117.1 . . . no C11 H9 H7 117.1 . . . no C11 H9 H8 35.1 . . . no C11 H9 H8 35.1 . . . no H3 H9 H3 78.7 3_656 3_656 3_656 no H3 H9 H4 55.6 3_656 3_656 3_656 no H3 H9 H5 60.6 3_656 3_656 3_656 no H3 H9 H5 81.2 3_656 3_656 3_656 no H3 H9 H6 115.9 3_656 3_656 3_656 no H3 H9 H6 164.0 3_656 3_656 3_656 no H3 H9 H7 104.8 3_656 3_656 3_656 no H3 H9 H7 54.6 3_656 3_656 3_656 no H3 H9 H7 113.4 3_656 3_656 3_656 no H3 H9 H7 144.2 3_656 3_656 3_656 no H3 H9 H8 69.7 3_656 3_656 3_656 no H3 H9 H8 11.3 3_656 3_656 3_656 no H3 H9 H4 55.6 5_656 5_656 5_656 no H3 H9 H5 81.2 5_656 5_656 5_656 no H3 H9 H5 60.6 5_656 5_656 5_656 no H3 H9 H6 164.0 5_656 5_656 5_656 no H3 H9 H6 115.9 5_656 5_656 5_656 no H3 H9 H7 54.6 5_656 5_656 5_656 no H3 H9 H7 104.8 5_656 5_656 5_656 no H3 H9 H7 144.2 5_656 5_656 5_656 no H3 H9 H7 113.4 5_656 5_656 5_656 no H3 H9 H8 11.3 5_656 5_656 5_656 no H3 H9 H8 69.7 5_656 5_656 5_656 no H4 H9 H5 26.1 2 2 2 no H4 H9 H5 26.1 2 2 2 no H4 H9 H6 125.8 2 2 2 no H4 H9 H6 125.8 2 2 2 no H4 H9 H7 109.9 2 2 2 no H4 H9 H7 109.9 2 2 2 no H4 H9 H7 159.1 2 2 2 no H4 H9 H7 159.1 2 2 2 no H4 H9 H8 56.8 2 2 2 no H4 H9 H8 56.8 2 2 2 no H5 H9 H5 30.8 2 2 2 no H5 H9 H6 99.8 2 2 2 no H5 H9 H6 113.0 2 2 2 no H5 H9 H7 135.8 2 2 2 no H5 H9 H7 111.5 2 2 2 no H5 H9 H7 134.5 2 2 2 no H5 H9 H7 151.1 2 2 2 no H5 H9 H8 82.9 2 2 2 no H5 H9 H8 67.0 2 2 2 no H5 H9 H6 113.0 8 8 8 no H5 H9 H6 99.8 8 8 8 no H5 H9 H7 111.5 8 8 8 no H5 H9 H7 135.8 8 8 8 no H5 H9 H7 151.1 8 8 8 no H5 H9 H7 134.5 8 8 8 no H5 H9 H8 67.0 8 8 8 no H5 H9 H8 82.9 8 8 8 no H6 H9 H6 48.9 3_655 3_655 3_655 no H6 H9 H7 122.8 3_655 3_655 3_655 no H6 H9 H7 89.8 3_655 3_655 3_655 no H6 H9 H7 38.5 3_655 3_655 3_655 no H6 H9 H7 59.2 3_655 3_655 3_655 no H6 H9 H8 174.4 3_655 3_655 3_655 no H6 H9 H8 125.5 3_655 3_655 3_655 no H6 H9 H7 89.8 5_655 5_655 5_655 no H6 H9 H7 122.8 5_655 5_655 5_655 no H6 H9 H7 59.2 5_655 5_655 5_655 no H6 H9 H7 38.5 5_655 5_655 5_655 no H6 H9 H8 125.5 5_655 5_655 5_655 no H6 H9 H8 174.4 5_655 5_655 5_655 no H7 H9 H7 82.3 . . . no H7 H9 H7 89.6 . . . no H7 H9 H7 64.1 . . . no H7 H9 H8 53.7 . . . no H7 H9 H8 93.7 . . . no H7 H9 H7 64.1 7 7 7 no H7 H9 H7 89.6 7 7 7 no H7 H9 H8 93.7 7 7 7 no H7 H9 H8 53.7 7 7 7 no H7 H9 H7 38.1 3_655 3_655 3_655 no H7 H9 H8 140.5 3_655 3_655 3_655 no H7 H9 H8 116.4 3_655 3_655 3_655 no H7 H9 H8 116.4 5_655 5_655 5_655 no H7 H9 H8 140.5 5_655 5_655 5_655 no H8 H9 H8 60.0 . . . no O1 H10 O2 149.1 . . . no O1 H10 O3 65.8 . . . no O1 H10 O3 116.6 . . . no O1 H10 O3 65.8 . . . no O1 H10 O4 95.3 . . . no O1 H10 O4 99.9 . . . no O1 H10 O4 95.3 . . . no O1 H10 N1 45.2 . . . no O1 H10 N2 66.2 . . . no O1 H10 N3 123.8 . . . no O1 H10 C1 28.9 . . . no O1 H10 C2 102.8 . . . no O1 H10 C2 92.0 . . . no O1 H10 C2 92.0 . . . no O1 H10 C3 88.4 . . . no O1 H10 C3 108.1 . . . no O1 H10 C3 108.1 . . . no O1 H10 C4 66.9 . . . no O1 H10 C6 138.8 . . . no O1 H10 C6 70.3 . . . no O1 H10 C6 70.3 . . . no O1 H10 H1 76.1 . . . no O1 H10 H1 103.5 . . . no O1 H10 H1 103.5 . . . no O1 H10 H2 41.2 . . . no O1 H10 H4 160.7 . . . no O1 H10 H5 136.8 . . . no O1 H10 H5 136.8 . . . no O1 H10 H5 60.8 . . . no O1 H10 H5 60.8 . . . no O2 H10 O3 122.1 4_554 4_554 4_554 no O2 H10 O3 32.5 4_554 4_554 4_554 no O2 H10 O3 122.1 4_554 4_554 4_554 no O2 H10 O4 102.5 4_554 4_554 4_554 no O2 H10 O4 49.2 4_554 4_554 4_554 no O2 H10 O4 102.5 4_554 4_554 4_554 no O2 H10 N1 165.7 4_554 4_554 4_554 no O2 H10 N2 144.7 4_554 4_554 4_554 no O2 H10 N3 25.3 4_554 4_554 4_554 no O2 H10 C1 178.0 4_554 4_554 4_554 no O2 H10 C2 108.1 4_554 4_554 4_554 no O2 H10 C2 71.8 4_554 4_554 4_554 no O2 H10 C2 71.8 4_554 4_554 4_554 no O2 H10 C3 122.5 4_554 4_554 4_554 no O2 H10 C3 64.2 4_554 4_554 4_554 no O2 H10 C3 64.2 4_554 4_554 4_554 no O2 H10 C4 144.0 4_554 4_554 4_554 no O2 H10 C6 72.2 4_554 4_554 4_554 no O2 H10 C6 92.8 4_554 4_554 4_554 no O2 H10 C6 92.8 4_554 4_554 4_554 no O2 H10 H1 73.0 4_554 4_554 4_554 no O2 H10 H1 77.6 4_554 4_554 4_554 no O2 H10 H1 77.6 4_554 4_554 4_554 no O2 H10 H2 107.9 4_554 4_554 4_554 no O2 H10 H4 50.3 4_554 4_554 4_554 no O2 H10 H5 72.5 4_554 4_554 4_554 no O2 H10 H5 72.5 4_554 4_554 4_554 no O2 H10 H5 101.2 4_554 4_554 4_554 no O2 H10 H5 101.2 4_554 4_554 4_554 no O3 H10 O3 119.8 . . . no O3 H10 O3 114.7 . . . no O3 H10 O4 31.9 . . . no O3 H10 O4 114.6 . . . no O3 H10 O4 121.3 . . . no O3 H10 N1 57.4 . . . no O3 H10 N2 60.9 . . . no O3 H10 N3 121.3 . . . no O3 H10 C1 58.1 . . . no O3 H10 C2 75.4 . . . no O3 H10 C2 60.4 . . . no O3 H10 C2 155.4 . . . no O3 H10 C3 68.7 . . . no O3 H10 C3 59.4 . . . no O3 H10 C3 173.5 . . . no O3 H10 C4 61.0 . . . no O3 H10 C6 94.4 . . . no O3 H10 C6 48.6 . . . no O3 H10 C6 135.6 . . . no O3 H10 H1 104.1 . . . no O3 H10 H1 44.5 . . . no O3 H10 H1 157.5 . . . no O3 H10 H2 85.6 . . . no O3 H10 H4 105.7 . . . no O3 H10 H5 81.8 . . . no O3 H10 H5 107.1 . . . no O3 H10 H5 47.0 . . . no O3 H10 H5 126.1 . . . no O3 H10 O3 119.8 4_554 4_554 4_554 no O3 H10 O4 118.2 4_554 4_554 4_554 no O3 H10 O4 16.7 4_554 4_554 4_554 no O3 H10 O4 118.2 4_554 4_554 4_554 no O3 H10 N1 161.8 4_554 4_554 4_554 no O3 H10 N2 177.2 4_554 4_554 4_554 no O3 H10 N3 7.2 4_554 4_554 4_554 no O3 H10 C1 145.5 4_554 4_554 4_554 no O3 H10 C2 140.6 4_554 4_554 4_554 no O3 H10 C2 59.4 4_554 4_554 4_554 no O3 H10 C2 59.4 4_554 4_554 4_554 no O3 H10 C3 155.0 4_554 4_554 4_554 no O3 H10 C3 64.5 4_554 4_554 4_554 no O3 H10 C3 64.5 4_554 4_554 4_554 no O3 H10 C4 176.5 4_554 4_554 4_554 no O3 H10 C6 104.7 4_554 4_554 4_554 no O3 H10 C6 74.5 4_554 4_554 4_554 no O3 H10 C6 74.5 4_554 4_554 4_554 no O3 H10 H1 40.5 4_554 4_554 4_554 no O3 H10 H1 82.6 4_554 4_554 4_554 no O3 H10 H1 82.6 4_554 4_554 4_554 no O3 H10 H2 75.4 4_554 4_554 4_554 no O3 H10 H4 82.7 4_554 4_554 4_554 no O3 H10 H5 103.9 4_554 4_554 4_554 no O3 H10 H5 103.9 4_554 4_554 4_554 no O3 H10 H5 80.0 4_554 4_554 4_554 no O3 H10 H5 80.0 4_554 4_554 4_554 no O3 H10 O4 121.3 1_565 1_565 1_565 no O3 H10 O4 114.6 1_565 1_565 1_565 no O3 H10 O4 31.9 1_565 1_565 1_565 no O3 H10 N1 57.4 1_565 1_565 1_565 no O3 H10 N2 60.9 1_565 1_565 1_565 no O3 H10 N3 121.3 1_565 1_565 1_565 no O3 H10 C1 58.1 1_565 1_565 1_565 no O3 H10 C2 75.4 1_565 1_565 1_565 no O3 H10 C2 155.4 1_565 1_565 1_565 no O3 H10 C2 60.4 1_565 1_565 1_565 no O3 H10 C3 68.7 1_565 1_565 1_565 no O3 H10 C3 173.5 1_565 1_565 1_565 no O3 H10 C3 59.4 1_565 1_565 1_565 no O3 H10 C4 61.0 1_565 1_565 1_565 no O3 H10 C6 94.4 1_565 1_565 1_565 no O3 H10 C6 135.6 1_565 1_565 1_565 no O3 H10 C6 48.6 1_565 1_565 1_565 no O3 H10 H1 104.1 1_565 1_565 1_565 no O3 H10 H1 157.5 1_565 1_565 1_565 no O3 H10 H1 44.5 1_565 1_565 1_565 no O3 H10 H2 85.6 1_565 1_565 1_565 no O3 H10 H4 105.7 1_565 1_565 1_565 no O3 H10 H5 107.1 1_565 1_565 1_565 no O3 H10 H5 81.8 1_565 1_565 1_565 no O3 H10 H5 126.1 1_565 1_565 1_565 no O3 H10 H5 47.0 1_565 1_565 1_565 no O4 H10 O4 123.4 . . . no O4 H10 O4 108.8 . . . no O4 H10 N1 69.9 . . . no O4 H10 N2 60.7 . . . no O4 H10 N3 115.2 . . . no O4 H10 C1 78.7 . . . no O4 H10 C2 54.5 . . . no O4 H10 C2 68.7 . . . no O4 H10 C2 172.5 . . . no O4 H10 C3 55.1 . . . no O4 H10 C3 55.5 . . . no O4 H10 C3 152.2 . . . no O4 H10 C4 60.5 . . . no O4 H10 C6 63.4 . . . no O4 H10 C6 68.6 . . . no O4 H10 C6 164.7 . . . no O4 H10 H1 125.5 . . . no O4 H10 H1 37.3 . . . no O4 H10 H1 141.7 . . . no O4 H10 H2 116.6 . . . no O4 H10 H4 73.9 . . . no O4 H10 H5 50.1 . . . no O4 H10 H5 77.2 . . . no O4 H10 H5 71.5 . . . no O4 H10 H5 155.6 . . . no O4 H10 O4 123.4 4_554 4_554 4_554 no O4 H10 N1 145.1 4_554 4_554 4_554 no O4 H10 N2 166.1 4_554 4_554 4_554 no O4 H10 N3 23.9 4_554 4_554 4_554 no O4 H10 C1 128.8 4_554 4_554 4_554 no O4 H10 C2 157.3 4_554 4_554 4_554 no O4 H10 C2 56.7 4_554 4_554 4_554 no O4 H10 C2 56.7 4_554 4_554 4_554 no O4 H10 C3 171.7 4_554 4_554 4_554 no O4 H10 C3 68.0 4_554 4_554 4_554 no O4 H10 C3 68.0 4_554 4_554 4_554 no O4 H10 C4 166.8 4_554 4_554 4_554 no O4 H10 C6 121.3 4_554 4_554 4_554 no O4 H10 C6 66.3 4_554 4_554 4_554 no O4 H10 C6 66.3 4_554 4_554 4_554 no O4 H10 H1 23.8 4_554 4_554 4_554 no O4 H10 H1 86.1 4_554 4_554 4_554 no O4 H10 H1 86.1 4_554 4_554 4_554 no O4 H10 H2 58.7 4_554 4_554 4_554 no O4 H10 H4 99.4 4_554 4_554 4_554 no O4 H10 H5 119.9 4_554 4_554 4_554 no O4 H10 H5 119.9 4_554 4_554 4_554 no O4 H10 H5 69.7 4_554 4_554 4_554 no O4 H10 H5 69.7 4_554 4_554 4_554 no O4 H10 N1 69.9 1_565 1_565 1_565 no O4 H10 N2 60.7 1_565 1_565 1_565 no O4 H10 N3 115.2 1_565 1_565 1_565 no O4 H10 C1 78.7 1_565 1_565 1_565 no O4 H10 C2 54.5 1_565 1_565 1_565 no O4 H10 C2 172.5 1_565 1_565 1_565 no O4 H10 C2 68.7 1_565 1_565 1_565 no O4 H10 C3 55.1 1_565 1_565 1_565 no O4 H10 C3 152.2 1_565 1_565 1_565 no O4 H10 C3 55.5 1_565 1_565 1_565 no O4 H10 C4 60.5 1_565 1_565 1_565 no O4 H10 C6 63.4 1_565 1_565 1_565 no O4 H10 C6 164.7 1_565 1_565 1_565 no O4 H10 C6 68.6 1_565 1_565 1_565 no O4 H10 H1 125.5 1_565 1_565 1_565 no O4 H10 H1 141.7 1_565 1_565 1_565 no O4 H10 H1 37.3 1_565 1_565 1_565 no O4 H10 H2 116.6 1_565 1_565 1_565 no O4 H10 H4 73.9 1_565 1_565 1_565 no O4 H10 H5 77.2 1_565 1_565 1_565 no O4 H10 H5 50.1 1_565 1_565 1_565 no O4 H10 H5 155.6 1_565 1_565 1_565 no O4 H10 H5 71.5 1_565 1_565 1_565 no N1 H10 N2 21.0 . . . no N1 H10 N3 169.0 . . . no N1 H10 C1 16.3 . . . no N1 H10 C2 57.6 . . . no N1 H10 C2 114.6 . . . no N1 H10 C2 114.6 . . . no N1 H10 C3 43.2 . . . no N1 H10 C3 116.8 . . . no N1 H10 C3 116.8 . . . no N1 H10 C4 21.7 . . . no N1 H10 C6 93.5 . . . no N1 H10 C6 95.4 . . . no N1 H10 C6 95.4 . . . no N1 H10 H1 121.3 . . . no N1 H10 H1 100.6 . . . no N1 H10 H1 100.6 . . . no N1 H10 H2 86.4 . . . no N1 H10 H4 115.5 . . . no N1 H10 H5 93.7 . . . no N1 H10 H5 93.7 . . . no N1 H10 H5 88.1 . . . no N1 H10 H5 88.1 . . . no N2 H10 N3 170.0 . . . no N2 H10 C1 37.3 . . . no N2 H10 C2 36.6 . . . no N2 H10 C2 121.2 . . . no N2 H10 C2 121.2 . . . no N2 H10 C3 22.2 . . . no N2 H10 C3 115.1 . . . no N2 H10 C3 115.1 . . . no N2 H10 C4 0.7 . . . no N2 H10 C6 72.5 . . . no N2 H10 C6 107.0 . . . no N2 H10 C6 107.0 . . . no N2 H10 H1 142.3 . . . no N2 H10 H1 96.9 . . . no N2 H10 H1 96.9 . . . no N2 H10 H2 107.4 . . . no N2 H10 H4 94.5 . . . no N2 H10 H5 73.4 . . . no N2 H10 H5 73.4 . . . no N2 H10 H5 101.8 . . . no N2 H10 H5 101.8 . . . no N3 H10 C1 152.7 4_554 4_554 4_554 no N3 H10 C2 133.4 4_554 4_554 4_554 no N3 H10 C2 61.5 4_554 4_554 4_554 no N3 H10 C2 61.5 4_554 4_554 4_554 no N3 H10 C3 147.8 4_554 4_554 4_554 no N3 H10 C3 63.6 4_554 4_554 4_554 no N3 H10 C3 63.6 4_554 4_554 4_554 no N3 H10 C4 169.3 4_554 4_554 4_554 no N3 H10 C6 97.4 4_554 4_554 4_554 no N3 H10 C6 78.4 4_554 4_554 4_554 no N3 H10 C6 78.4 4_554 4_554 4_554 no N3 H10 H1 47.7 4_554 4_554 4_554 no N3 H10 H1 81.2 4_554 4_554 4_554 no N3 H10 H1 81.2 4_554 4_554 4_554 no N3 H10 H2 82.6 4_554 4_554 4_554 no N3 H10 H4 75.5 4_554 4_554 4_554 no N3 H10 H5 96.9 4_554 4_554 4_554 no N3 H10 H5 96.9 4_554 4_554 4_554 no N3 H10 H5 84.7 4_554 4_554 4_554 no N3 H10 H5 84.7 4_554 4_554 4_554 no C1 H10 C2 73.9 . . . no C1 H10 C2 107.3 . . . no C1 H10 C2 107.3 . . . no C1 H10 C3 59.5 . . . no C1 H10 C3 115.5 . . . no C1 H10 C3 115.5 . . . no C1 H10 C4 38.0 . . . no C1 H10 C6 109.9 . . . no C1 H10 C6 86.0 . . . no C1 H10 C6 86.0 . . . no C1 H10 H1 105.0 . . . no C1 H10 H1 102.6 . . . no C1 H10 H1 102.6 . . . no C1 H10 H2 70.1 . . . no C1 H10 H4 131.8 . . . no C1 H10 H5 109.4 . . . no C1 H10 H5 109.4 . . . no C1 H10 H5 77.5 . . . no C1 H10 H5 77.5 . . . no C2 H10 C2 122.0 . . . no C2 H10 C2 122.0 . . . no C2 H10 C3 14.5 . . . no C2 H10 C3 104.4 . . . no C2 H10 C3 104.4 . . . no C2 H10 C4 36.0 . . . no C2 H10 C6 35.9 . . . no C2 H10 C6 122.0 . . . no C2 H10 C6 122.0 . . . no C2 H10 H1 178.9 . . . no C2 H10 H1 88.6 . . . no C2 H10 H1 88.6 . . . no C2 H10 H2 144.0 . . . no C2 H10 H4 57.8 . . . no C2 H10 H5 38.8 . . . no C2 H10 H5 38.8 . . . no C2 H10 H5 122.4 . . . no C2 H10 H5 122.4 . . . no C2 H10 C2 112.9 4_554 4_554 4_554 no C2 H10 C3 123.5 4_554 4_554 4_554 no C2 H10 C3 20.8 4_554 4_554 4_554 no C2 H10 C3 123.6 4_554 4_554 4_554 no C2 H10 C4 121.4 4_554 4_554 4_554 no C2 H10 C6 109.7 4_554 4_554 4_554 no C2 H10 C6 22.0 4_554 4_554 4_554 no C2 H10 C6 115.8 4_554 4_554 4_554 no C2 H10 H1 58.2 4_554 4_554 4_554 no C2 H10 H1 33.5 4_554 4_554 4_554 no C2 H10 H1 141.9 4_554 4_554 4_554 no C2 H10 H2 70.3 4_554 4_554 4_554 no C2 H10 H4 98.6 4_554 4_554 4_554 no C2 H10 H5 96.2 4_554 4_554 4_554 no C2 H10 H5 122.7 4_554 4_554 4_554 no C2 H10 H5 31.4 4_554 4_554 4_554 no C2 H10 H5 113.9 4_554 4_554 4_554 no C2 H10 C3 123.5 4_564 4_564 4_564 no C2 H10 C3 123.6 4_564 4_564 4_564 no C2 H10 C3 20.8 4_564 4_564 4_564 no C2 H10 C4 121.4 4_564 4_564 4_564 no C2 H10 C6 109.7 4_564 4_564 4_564 no C2 H10 C6 115.8 4_564 4_564 4_564 no C2 H10 C6 22.0 4_564 4_564 4_564 no C2 H10 H1 58.2 4_564 4_564 4_564 no C2 H10 H1 141.9 4_564 4_564 4_564 no C2 H10 H1 33.5 4_564 4_564 4_564 no C2 H10 H2 70.3 4_564 4_564 4_564 no C2 H10 H4 98.6 4_564 4_564 4_564 no C2 H10 H5 122.7 4_564 4_564 4_564 no C2 H10 H5 96.2 4_564 4_564 4_564 no C2 H10 H5 113.9 4_564 4_564 4_564 no C2 H10 H5 31.4 4_564 4_564 4_564 no C3 H10 C3 109.6 . . . no C3 H10 C3 109.6 . . . no C3 H10 C4 21.5 . . . no C3 H10 C6 50.4 . . . no C3 H10 C6 117.2 . . . no C3 H10 C6 117.2 . . . no C3 H10 H1 164.5 . . . no C3 H10 H1 92.0 . . . no C3 H10 H1 92.0 . . . no C3 H10 H2 129.6 . . . no C3 H10 H4 72.3 . . . no C3 H10 H5 52.2 . . . no C3 H10 H5 52.2 . . . no C3 H10 H5 115.1 . . . no C3 H10 H5 115.1 . . . no C3 H10 C3 126.4 4_554 4_554 4_554 no C3 H10 C4 115.0 4_554 4_554 4_554 no C3 H10 C6 88.9 4_554 4_554 4_554 no C3 H10 C6 38.9 4_554 4_554 4_554 no C3 H10 C6 133.0 4_554 4_554 4_554 no C3 H10 H1 76.0 4_554 4_554 4_554 no C3 H10 H1 18.3 4_554 4_554 4_554 no C3 H10 H1 141.8 4_554 4_554 4_554 no C3 H10 H2 91.1 4_554 4_554 4_554 no C3 H10 H4 79.3 4_554 4_554 4_554 no C3 H10 H5 75.5 4_554 4_554 4_554 no C3 H10 H5 102.2 4_554 4_554 4_554 no C3 H10 H5 48.3 4_554 4_554 4_554 no C3 H10 H5 133.0 4_554 4_554 4_554 no C3 H10 C4 115.0 4_564 4_564 4_564 no C3 H10 C6 88.9 4_564 4_564 4_564 no C3 H10 C6 133.0 4_564 4_564 4_564 no C3 H10 C6 38.9 4_564 4_564 4_564 no C3 H10 H1 76.0 4_564 4_564 4_564 no C3 H10 H1 141.8 4_564 4_564 4_564 no C3 H10 H1 18.3 4_564 4_564 4_564 no C3 H10 H2 91.1 4_564 4_564 4_564 no C3 H10 H4 79.3 4_564 4_564 4_564 no C3 H10 H5 102.2 4_564 4_564 4_564 no C3 H10 H5 75.5 4_564 4_564 4_564 no C3 H10 H5 133.0 4_564 4_564 4_564 no C3 H10 H5 48.3 4_564 4_564 4_564 no C4 H10 C6 71.9 . . . no C4 H10 C6 107.3 . . . no C4 H10 C6 107.3 . . . no C4 H10 H1 143.0 . . . no C4 H10 H1 96.8 . . . no C4 H10 H1 96.8 . . . no C4 H10 H2 108.1 . . . no C4 H10 H4 93.8 . . . no C4 H10 H5 72.8 . . . no C4 H10 H5 72.8 . . . no C4 H10 H5 102.2 . . . no C4 H10 H5 102.2 . . . no C6 H10 C6 124.1 . . . no C6 H10 C6 124.1 . . . no C6 H10 H1 145.1 . . . no C6 H10 H1 81.0 . . . no C6 H10 H1 81.0 . . . no C6 H10 H2 179.9 . . . no C6 H10 H4 21.9 . . . no C6 H10 H5 15.0 . . . no C6 H10 H5 15.0 . . . no C6 H10 H5 131.0 . . . no C6 H10 H5 131.0 . . . no C6 H10 C6 109.7 4_554 4_554 4_554 no C6 H10 H1 57.7 4_554 4_554 4_554 no C6 H10 H1 43.1 4_554 4_554 4_554 no C6 H10 H1 149.3 4_554 4_554 4_554 no C6 H10 H2 55.9 4_554 4_554 4_554 no C6 H10 H4 118.2 4_554 4_554 4_554 no C6 H10 H5 109.2 4_554 4_554 4_554 no C6 H10 H5 138.9 4_554 4_554 4_554 no C6 H10 H5 9.6 4_554 4_554 4_554 no C6 H10 H5 104.4 4_554 4_554 4_554 no C6 H10 H1 57.7 4_564 4_564 4_564 no C6 H10 H1 149.3 4_564 4_564 4_564 no C6 H10 H1 43.1 4_564 4_564 4_564 no C6 H10 H2 55.9 4_564 4_564 4_564 no C6 H10 H4 118.2 4_564 4_564 4_564 no C6 H10 H5 138.9 4_564 4_564 4_564 no C6 H10 H5 109.2 4_564 4_564 4_564 no C6 H10 H5 104.4 4_564 4_564 4_564 no C6 H10 H5 9.6 4_564 4_564 4_564 no H1 H10 H1 91.6 1_554 1_554 1_554 no H1 H10 H1 91.6 1_554 1_554 1_554 no H1 H10 H2 34.9 1_554 1_554 1_554 no H1 H10 H4 123.2 1_554 1_554 1_554 no H1 H10 H5 142.2 1_554 1_554 1_554 no H1 H10 H5 142.2 1_554 1_554 1_554 no H1 H10 H5 57.2 1_554 1_554 1_554 no H1 H10 H5 57.2 1_554 1_554 1_554 no H1 H10 H1 152.9 4_554 4_554 4_554 no H1 H10 H2 99.0 4_554 4_554 4_554 no H1 H10 H4 77.9 4_554 4_554 4_554 no H1 H10 H5 66.2 4_554 4_554 4_554 no H1 H10 H5 95.7 4_554 4_554 4_554 no H1 H10 H5 50.7 4_554 4_554 4_554 no H1 H10 H5 146.6 4_554 4_554 4_554 no H1 H10 H2 99.0 4_564 4_564 4_564 no H1 H10 H4 77.9 4_564 4_564 4_564 no H1 H10 H5 95.7 4_564 4_564 4_564 no H1 H10 H5 66.2 4_564 4_564 4_564 no H1 H10 H5 146.6 4_564 4_564 4_564 no H1 H10 H5 50.7 4_564 4_564 4_564 no H2 H10 H4 158.2 1_554 1_554 1_554 no H2 H10 H5 165.0 1_554 1_554 1_554 no H2 H10 H5 165.0 1_554 1_554 1_554 no H2 H10 H5 49.0 1_554 1_554 1_554 no H2 H10 H5 49.0 1_554 1_554 1_554 no H4 H10 H5 26.1 . . . no H4 H10 H5 26.1 . . . no H4 H10 H5 127.3 . . . no H4 H10 H5 127.3 . . . no H5 H10 H5 30.0 . . . no H5 H10 H5 116.0 . . . no H5 H10 H5 146.0 . . . no H5 H10 H5 146.0 7 7 7 no H5 H10 H5 116.0 7 7 7 no H5 H10 H5 98.0 4_554 4_554 4_554 no #------------------------------------------------------------------------------ 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 ? ? ? ? ? ? #------------------------------------------------------------------------------ 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? # -- ENTER TORSION ANGLES HERE, ONE PER LINE -- # e.g. C1 C2 C3 C4 52.8(1) . . . . yes #------------------------------------------------------------------------------ loop_ _geom_bond_atom_site_label_D _geom_bond_atom_site_label_H _geom_contact_atom_site_label_A _geom_bond_distance_DH _geom_contact_distance_HA _geom_contact_distance_DA _geom_angle_DHA _geom_contact_site_symmetry_A 'N2' 'H10' 'O4' '0.98' '1.89' '2.845(5)' '166.1' '4_554' #============================================================================== # Additional structures and associated data_? identifiers # should be added at this point if there is more than one # structure analysis in the CIF. #============================================================================== # End of CIF #============================================================================== data__1Cl.HNO3_______________ _database_code_CSD 171688 #============================================================================== _audit_creation_date '2000-03-24' _audit_creation_method 'by teXsan for Windows v1.06' _audit_update_record ; ? ; _journal_coden_Cambridge 440 _publ_requested_journal 'New Journal of Chemistry' loop_ _publ_author_name 'Bagieu Beucher, M.' 'George, S.' 'Masse, R.' 'Muthuraman, M.' 'Nangia, A.' 'Nicoud, Jean-Francois' _publ_contact_author_name 'Dr A Nangia' _publ_contact_author_address ; School of Chemistry University of Hyderabad P O Central University Hyderabad 500046 INDIA ; _publ_contact_author_email 'ANSC@UOHYD.ERNET.IN' _publ_section_title ; Crystal Engineering of Neutral N-Aryl Pyrimidinones and their HCl, HNO3 Adducts With C-H...O Supramolecular Synthon. Implications Towards Non-Linear Optics ; # TEXT _publ_section_abstract ; ? ; _publ_section_exptl_refinement ; All the H atoms have been located by Fourier difference and not refined. An average thermal factor U~iso~ = 0.080 \%A^2^ is attributed to each H atom. ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation. (1997-1998). teXsan for Windows version 1.03. Single Crystal Structure Analysis Software. Version 1.04. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). J. Appl. Cryst., 26, 343. ; _publ_section_acknowledgements ; Financial support from the Indo-French Center for the Promotion of Advanced Research (IFCPAR contract no. 1708-1) is gratefully acknowledged. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #------------------------------------------------------------------------------ #============================================================================== _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan for Windows vers. 1.06 (MSC, 1997-1999)' _computing_structure_solution ; SIR92 (Altomare, et. al. 1994) ; _computing_structure_refinement 'teXsan for Windows vers.1.06(MSC, 1997-1999)' _computing_publication_material 'teXsan for Windows vers.1.06(MSC, 1997-1999)' #------------------------------------------------------------------------------ _cell_length_a 26.880(3) _cell_length_b 6.348(1) _cell_length_c 8.102(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1382.5(3) _cell_formula_units_Z 4 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 10 _cell_measurement_theta_max 14 #------------------------------------------------------------------------------ _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n m a ' _symmetry_Int_Tables_number 62 _symmetry_space_group_name_Hall ? 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' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description 'NONE' _exptl_crystal_colour 'colourless' _exptl_crystal_size_max 0.56 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.11 _exptl_crystal_density_diffrn 1.430 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 297.70 _chemical_formula_analytical ? _chemical_formula_sum 'C12 H12 Cl N3 O4' _chemical_formula_moiety 'C12 H12 Cl N3 O4' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 616.00 _exptl_absorpt_coefficient_mu 0.292 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; #============================================================================== # EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device 'CAD4' _diffrn_measurement_method \w-2\q _diffrn_standards_number 2 _diffrn_standards_interval_count '7200 s' _diffrn_standards_decay_% 0.21 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 14 1 -1 -14 -1 -1 _diffrn_reflns_number 4354 _reflns_number_total 2694 _reflns_number_gt 759 _reflns_threshold_expression I>3.00\s(I) _diffrn_reflns_av_R_equivalents 0.06650 _diffrn_reflns_av_sigmaI/netI 0.134 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 37 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 3.0 _diffrn_reflns_theta_max 30.0 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.03271 _diffrn_orient_matrix_UB_12 -0.00392 _diffrn_orient_matrix_UB_13 0.05872 _diffrn_orient_matrix_UB_21 -0.01747 _diffrn_orient_matrix_UB_22 0.01965 _diffrn_orient_matrix_UB_23 0.10789 _diffrn_orient_matrix_UB_31 -0.00303 _diffrn_orient_matrix_UB_32 -0.15625 _diffrn_orient_matrix_UB_33 0.01208 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 48 0.002 0.002 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; H 0 48 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; N 0 12 0.004 0.003 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; O 0 16 0.008 0.006 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; Cl 0 4 0.132 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #============================================================================== # ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom Cl(1) 0.42487(4) 0.2500 0.6910(2) 0.1332(6) 1.0 S Uani d ? O(1) 0.65117(8) 0.2500 0.4962(3) 0.0688(9) 1.0 S Uani d ? O(2) 0.67254(10) -0.2500 0.6783(4) 0.0881(11) 1.0 S Uani d ? O(3) 0.73517(9) -0.2500 0.8388(3) 0.0733(10) 1.0 S Uani d ? O(4) 0.66017(10) -0.2500 0.9362(4) 0.0774(9) 1.0 S Uani d ? N(1) 0.64310(9) 0.2500 0.7783(3) 0.0458(8) 1.0 S Uani d ? N(2) 0.72162(9) 0.2500 0.6553(3) 0.0506(9) 1.0 S Uani d ? N(3) 0.68876(11) -0.2500 0.8180(4) 0.0539(10) 1.0 S Uani d ? C(1) 0.67016(12) 0.2500 0.6321(5) 0.0519(11) 1.0 S Uani d ? C(2) 0.74368(12) 0.2500 0.8015(5) 0.0478(11) 1.0 S Uani d ? C(3) 0.71533(12) 0.2500 0.9410(4) 0.0489(11) 1.0 S Uani d ? C(4) 0.66438(12) 0.2500 0.9299(5) 0.0487(11) 1.0 S Uani d ? C(5) 0.6329(1) 0.2500 1.0771(5) 0.0673(12) 1.0 S Uani d ? C(6) 0.79926(12) 0.2500 0.8061(4) 0.0670(13) 1.0 S Uani d ? C(7) 0.58930(11) 0.2500 0.7567(5) 0.0525(11) 1.0 S Uani d ? C(8) 0.56458(9) 0.0680(5) 0.7473(5) 0.1098(13) 1.000 . Uani d ? C(9) 0.51357(11) 0.0692(5) 0.7259(6) 0.129(2) 1.000 . Uani d ? C(10) 0.48909(13) 0.2500 0.7171(6) 0.081(2) 1.0 S Uani d ? H(1) 0.7421 0.2500 0.5606 0.082 1.0 S Uiso d ? H(2) 0.7311 0.2500 1.0456 0.082 1.0 S Uiso d ? H(3) 0.6537 0.2500 1.1741 0.082 1.0 S Uiso d ? H(4) 0.6122 0.1291 1.0787 0.082 1.000 . Uiso c ? H(5) 0.8100 0.2500 0.9175 0.082 1.0 S Uiso d ? H(6) 0.8119 0.1451 0.7355 0.082 1.000 . Uiso c ? H(7) 0.5821 -0.0629 0.7582 0.082 1.000 . Uiso c ? H(8) 0.4958 -0.0592 0.7271 0.082 1.000 . Uiso c ? 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 Cl(1) 0.0413(5) 0.1327(13) 0.226(2) 0.0000 -0.0014(8) 0.0000 O(1) 0.054(2) 0.094(2) 0.058(2) 0.0000 -0.0047(13) 0.0000 O(2) 0.074(2) 0.130(3) 0.060(2) 0.0000 -0.010(2) 0.0000 O(3) 0.055(2) 0.071(2) 0.094(2) 0.0000 -0.012(2) 0.0000 O(4) 0.070(2) 0.096(2) 0.066(2) 0.0000 0.012(2) 0.0000 N(1) 0.039(1) 0.045(2) 0.054(2) 0.0000 0.007(1) 0.0000 N(2) 0.038(1) 0.059(2) 0.055(2) 0.0000 0.0036(13) 0.0000 N(3) 0.057(2) 0.044(2) 0.061(2) 0.0000 -0.010(2) 0.0000 C(1) 0.045(2) 0.057(3) 0.054(2) 0.0000 -0.004(2) 0.0000 C(2) 0.049(2) 0.044(2) 0.051(2) 0.0000 -0.009(2) 0.0000 C(3) 0.045(2) 0.047(2) 0.054(2) 0.0000 -0.003(2) 0.0000 C(4) 0.052(2) 0.039(2) 0.055(2) 0.0000 0.001(2) 0.0000 C(5) 0.077(2) 0.065(3) 0.059(2) 0.0000 0.019(2) 0.0000 C(6) 0.043(2) 0.099(4) 0.058(2) 0.0000 0.006(2) 0.0000 C(7) 0.041(2) 0.044(2) 0.073(3) 0.0000 0.004(2) 0.0000 C(8) 0.052(2) 0.051(2) 0.227(4) 0.003(1) -0.011(2) -0.000(3) C(9) 0.053(2) 0.065(2) 0.269(5) -0.011(2) -0.021(2) 0.001(3) C(10) 0.041(2) 0.081(3) 0.122(4) 0.0000 0.005(3) 0.0000 #============================================================================== # REFINEMENT DATA _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 759 _refine_ls_number_parameters 115 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0593 _refine_ls_R_factor_gt 0.0590 _refine_ls_wR_factor_all 0.0630 _refine_ls_wR_factor_ref 0.0630 _refine_ls_goodness_of_fit_all 2.895 _refine_ls_goodness_of_fit_ref 2.900 _refine_ls_shift/su_max 0.0000 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_min -0.25 _refine_diff_density_max 0.30 #============================================================================== # MOLECULAR GEOMETRY _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 CL1 C9 2.662(6) . . ? CL1 C9 2.662(6) . . ? CL1 C10 1.744(7) . . ? O1 O2 3.541(3) . . ? O1 O2 3.541(3) . . ? O1 O3 3.309(6) . . ? O1 C1 1.215(7) . . ? O2 O3 2.138(7) . . ? O2 O4 2.120(7) . . ? O2 N3 1.212(7) . . ? O3 O4 2.158(7) . . ? O3 N3 1.264(6) . . ? O3 H1 1.90 . . no O4 N3 1.228(7) . . ? N1 C1 1.387(8) . . ? N1 C4 1.355(9) . . ? N1 C7 1.452(7) . . ? N2 C1 1.399(8) . . ? N2 C2 1.332(8) . . ? N2 H1 0.94 . . no C2 C3 1.356(9) . . ? C2 C6 1.490(8) . . ? C3 C4 1.375(9) . . ? C3 H2 0.95 . . no C4 C5 1.471(9) . . ? C5 H3 0.96 . . no C5 H4 0.95 . . no C5 H4 0.95 . . no C6 H5 0.93 . . no C6 H6 0.95 . . no C6 H6 0.95 . . no C7 C8 1.333(6) . . ? C7 C8 1.333(6) . . ? C8 C9 1.392(6) . . ? C8 H7 0.95 . . no C9 C10 1.326(7) . . ? C9 H8 0.94 . . no C10 H8 1.97 . . no C10 H8 1.97 . . 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 O2 CL1 O4 101.53(11) 3_656 3_656 3_656 ? O2 CL1 C5 95.44(12) 3_656 3_656 3_656 ? O2 CL1 C5 95.42(12) 3_656 3_656 3_656 ? O2 CL1 C6 48.8(2) 3_656 3_656 3_656 ? O2 CL1 C8 135.7(2) 3_656 3_656 3_656 ? O2 CL1 C8 135.7(2) 3_656 3_656 3_656 ? O2 CL1 C9 132.6(2) 3_656 3_656 3_656 ? O2 CL1 C9 132.6(2) 3_656 3_656 3_656 ? O2 CL1 C10 138.6(4) 3_656 3_656 3_656 ? O2 CL1 H3 81.7 3_656 3_656 3_656 no O2 CL1 H3 81.7 3_656 3_656 3_656 no O2 CL1 H4 103.4 3_656 3_656 3_656 no O2 CL1 H4 103.4 3_656 3_656 3_656 no O2 CL1 H5 32.8 3_656 3_656 3_656 no O2 CL1 H6 60.5 3_656 3_656 3_656 no O2 CL1 H6 60.5 3_656 3_656 3_656 no O2 CL1 H7 41.8 3_656 3_656 3_656 no O2 CL1 H7 41.8 3_656 3_656 3_656 no O2 CL1 H8 122.5 3_656 3_656 3_656 no O2 CL1 H8 122.5 3_656 3_656 3_656 no O4 CL1 C5 52.62(9) 3_657 3_657 3_657 ? O4 CL1 C5 52.61(9) 3_657 3_657 3_657 ? O4 CL1 C6 52.7(1) 3_657 3_657 3_657 ? O4 CL1 C8 118.6(2) 3_657 3_657 3_657 ? O4 CL1 C8 118.6(2) 3_657 3_657 3_657 ? O4 CL1 C9 116.6(2) 3_657 3_657 3_657 ? O4 CL1 C9 116.6(2) 3_657 3_657 3_657 ? O4 CL1 C10 119.8(4) 3_657 3_657 3_657 ? O4 CL1 H3 57.2 3_657 3_657 3_657 no O4 CL1 H3 57.2 3_657 3_657 3_657 no O4 CL1 H4 49.3 3_657 3_657 3_657 no O4 CL1 H4 49.3 3_657 3_657 3_657 no O4 CL1 H5 68.8 3_657 3_657 3_657 no O4 CL1 H6 43.2 3_657 3_657 3_657 no O4 CL1 H6 43.2 3_657 3_657 3_657 no O4 CL1 H7 136.7 3_657 3_657 3_657 no O4 CL1 H7 136.7 3_657 3_657 3_657 no O4 CL1 H8 109.5 3_657 3_657 3_657 no O4 CL1 H8 109.4 3_657 3_657 3_657 no C5 CL1 C5 105.1(2) 3_647 3_647 3_647 ? C5 CL1 C6 67.10(12) 3_647 3_647 3_647 ? C5 CL1 C8 94.7(1) 3_647 3_647 3_647 ? C5 CL1 C8 123.0(2) 3_647 3_647 3_647 ? C5 CL1 C9 87.1(2) 3_647 3_647 3_647 ? C5 CL1 C9 129.6(2) 3_647 3_647 3_647 ? C5 CL1 C10 109.0(2) 3_647 3_647 3_647 ? C5 CL1 H3 13.8 3_647 3_647 3_647 no C5 CL1 H3 107.4 3_647 3_647 3_647 no C5 CL1 H4 101.7 3_647 3_647 3_647 no C5 CL1 H4 8.3 3_647 3_647 3_647 no C5 CL1 H5 75.8 3_647 3_647 3_647 no C5 CL1 H6 72.9 3_647 3_647 3_647 no C5 CL1 H6 51.2 3_647 3_647 3_647 no C5 CL1 H7 132.2 3_647 3_647 3_647 no C5 CL1 H7 100.3 3_647 3_647 3_647 no C5 CL1 H8 69.7 3_647 3_647 3_647 no C5 CL1 H8 141.8 3_647 3_647 3_647 no C5 CL1 C6 67.07(12) 3_657 3_657 3_657 ? C5 CL1 C8 123.1(2) 3_657 3_657 3_657 ? C5 CL1 C8 94.7(1) 3_657 3_657 3_657 ? C5 CL1 C9 129.6(2) 3_657 3_657 3_657 ? C5 CL1 C9 87.1(2) 3_657 3_657 3_657 ? C5 CL1 C10 109.0(2) 3_657 3_657 3_657 ? C5 CL1 H3 107.4 3_657 3_657 3_657 no C5 CL1 H3 13.8 3_657 3_657 3_657 no C5 CL1 H4 8.3 3_657 3_657 3_657 no C5 CL1 H4 101.7 3_657 3_657 3_657 no C5 CL1 H5 75.8 3_657 3_657 3_657 no C5 CL1 H6 51.1 3_657 3_657 3_657 no C5 CL1 H6 72.9 3_657 3_657 3_657 no C5 CL1 H7 100.3 3_657 3_657 3_657 no C5 CL1 H7 132.2 3_657 3_657 3_657 no C5 CL1 H8 141.8 3_657 3_657 3_657 no C5 CL1 H8 69.7 3_657 3_657 3_657 no C6 CL1 C8 161.61(11) 2_456 2_456 2_456 ? C6 CL1 C8 161.61(11) 2_456 2_456 2_456 ? C6 CL1 C9 153.4(1) 2_456 2_456 2_456 ? C6 CL1 C9 153.3(1) 2_456 2_456 2_456 ? C6 CL1 C10 172.6(4) 2_456 2_456 2_456 ? C6 CL1 H3 57.8 2_456 2_456 2_456 no C6 CL1 H3 57.8 2_456 2_456 2_456 no C6 CL1 H4 71.8 2_456 2_456 2_456 no C6 CL1 H4 71.8 2_456 2_456 2_456 no C6 CL1 H5 16.0 2_456 2_456 2_456 no C6 CL1 H6 16.3 2_456 2_456 2_456 no C6 CL1 H6 16.3 2_456 2_456 2_456 no C6 CL1 H7 87.3 2_456 2_456 2_456 no C6 CL1 H7 87.3 2_456 2_456 2_456 no C6 CL1 H8 133.8 2_456 2_456 2_456 no C6 CL1 H8 133.8 2_456 2_456 2_456 no C8 CL1 C8 33.9(2) . . . ? C8 CL1 C9 8.7(2) . . . ? C8 CL1 C9 42.6(2) . . . ? C8 CL1 C10 16.97(8) . . . ? C8 CL1 H3 103.9 . . . no C8 CL1 H3 135.0 . . . no C8 CL1 H4 116.5 . . . no C8 CL1 H4 90.4 . . . no C8 CL1 H5 160.9 . . . no C8 CL1 H6 161.8 . . . no C8 CL1 H6 145.8 . . . no C8 CL1 H7 104.4 . . . no C8 CL1 H7 93.9 . . . no C8 CL1 H8 28.6 . . . no C8 CL1 H8 62.5 . . . no C8 CL1 C9 42.6(2) 7 7 7 ? C8 CL1 C9 8.7(2) 7 7 7 ? C8 CL1 C10 16.97(8) 7 7 7 ? C8 CL1 H3 135.0 7 7 7 no C8 CL1 H3 103.9 7 7 7 no C8 CL1 H4 90.5 7 7 7 no C8 CL1 H4 116.5 7 7 7 no C8 CL1 H5 160.9 7 7 7 no C8 CL1 H6 145.8 7 7 7 no C8 CL1 H6 161.8 7 7 7 no C8 CL1 H7 93.9 7 7 7 no C8 CL1 H7 104.4 7 7 7 no C8 CL1 H8 62.5 7 7 7 no C8 CL1 H8 28.6 7 7 7 no C9 CL1 C9 51.3(3) . . . ? C9 CL1 C10 25.66(13) . . . ? C9 CL1 H3 95.6 . . . no C9 CL1 H3 142.3 . . . no C9 CL1 H4 122.5 . . . no C9 CL1 H4 83.5 . . . no C9 CL1 H5 153.0 . . . no C9 CL1 H6 158.0 . . . no C9 CL1 H6 138.2 . . . no C9 CL1 H7 106.7 . . . no C9 CL1 H7 91.1 . . . no C9 CL1 H8 19.9 . . . no C9 CL1 H8 71.2 . . . no C9 CL1 C10 25.66(13) 7 7 7 ? C9 CL1 H3 142.3 7 7 7 no C9 CL1 H3 95.6 7 7 7 no C9 CL1 H4 83.5 7 7 7 no C9 CL1 H4 122.4 7 7 7 no C9 CL1 H5 153.0 7 7 7 no C9 CL1 H6 138.2 7 7 7 no C9 CL1 H6 158.0 7 7 7 no C9 CL1 H7 91.1 7 7 7 no C9 CL1 H7 106.7 7 7 7 no C9 CL1 H8 71.2 7 7 7 no C9 CL1 H8 19.9 7 7 7 no C10 CL1 H3 119.6 . . . no C10 CL1 H3 119.6 . . . no C10 CL1 H4 103.6 . . . no C10 CL1 H4 103.6 . . . no C10 CL1 H5 171.4 . . . no C10 CL1 H6 158.1 . . . no C10 CL1 H6 158.1 . . . no C10 CL1 H7 99.7 . . . no C10 CL1 H7 99.7 . . . no C10 CL1 H8 45.5 . . . no C10 CL1 H8 45.5 . . . no H3 CL1 H3 106.3 3_647 3_647 3_647 no H3 CL1 H4 105.9 3_647 3_647 3_647 no H3 CL1 H4 22.0 3_647 3_647 3_647 no H3 CL1 H5 64.1 3_647 3_647 3_647 no H3 CL1 H6 66.8 3_647 3_647 3_647 no H3 CL1 H6 43.0 3_647 3_647 3_647 no H3 CL1 H7 118.9 3_647 3_647 3_647 no H3 CL1 H7 89.3 3_647 3_647 3_647 no H3 CL1 H8 76.6 3_647 3_647 3_647 no H3 CL1 H8 155.6 3_647 3_647 3_647 no H3 CL1 H4 22.0 3_657 3_657 3_657 no H3 CL1 H4 105.9 3_657 3_657 3_657 no H3 CL1 H5 64.1 3_657 3_657 3_657 no H3 CL1 H6 43.0 3_657 3_657 3_657 no H3 CL1 H6 66.7 3_657 3_657 3_657 no H3 CL1 H7 89.3 3_657 3_657 3_657 no H3 CL1 H7 118.9 3_657 3_657 3_657 no H3 CL1 H8 155.6 3_657 3_657 3_657 no H3 CL1 H8 76.6 3_657 3_657 3_657 no H4 CL1 H4 97.3 3_657 3_657 3_657 no H4 CL1 H5 81.9 3_657 3_657 3_657 no H4 CL1 H6 55.5 3_657 3_657 3_657 no H4 CL1 H6 75.5 3_657 3_657 3_657 no H4 CL1 H7 107.8 3_657 3_657 3_657 no H4 CL1 H7 140.4 3_657 3_657 3_657 no H4 CL1 H8 133.6 3_657 3_657 3_657 no H4 CL1 H8 67.5 3_657 3_657 3_657 no H4 CL1 H5 82.0 5_657 5_657 5_657 no H4 CL1 H6 75.5 5_657 5_657 5_657 no H4 CL1 H6 55.5 5_657 5_657 5_657 no H4 CL1 H7 140.4 5_657 5_657 5_657 no H4 CL1 H7 107.8 5_657 5_657 5_657 no H4 CL1 H8 67.5 5_657 5_657 5_657 no H4 CL1 H8 133.6 5_657 5_657 5_657 no H5 CL1 H6 29.4 2_456 2_456 2_456 no H5 CL1 H6 29.4 2_456 2_456 2_456 no H5 CL1 H7 72.1 2_456 2_456 2_456 no H5 CL1 H7 72.1 2_456 2_456 2_456 no H5 CL1 H8 134.1 2_456 2_456 2_456 no H5 CL1 H8 134.0 2_456 2_456 2_456 no H6 CL1 H6 24.3 2_456 2_456 2_456 no H6 CL1 H7 93.8 2_456 2_456 2_456 no H6 CL1 H7 101.4 2_456 2_456 2_456 no H6 CL1 H8 142.6 2_456 2_456 2_456 no H6 CL1 H8 119.6 2_456 2_456 2_456 no H6 CL1 H7 101.4 8_456 8_456 8_456 no H6 CL1 H7 93.8 8_456 8_456 8_456 no H6 CL1 H8 119.6 8_456 8_456 8_456 no H6 CL1 H8 142.6 8_456 8_456 8_456 no H7 CL1 H7 36.1 3_656 3_656 3_656 no H7 CL1 H8 110.9 3_656 3_656 3_656 no H7 CL1 H8 85.1 3_656 3_656 3_656 no H7 CL1 H8 85.1 5_656 5_656 5_656 no H7 CL1 H8 110.9 5_656 5_656 5_656 no H8 CL1 H8 91.0 . . . no O2 O1 O2 127.4(2) . . . ? O2 O1 O3 90.52(12) . . . ? O2 O1 N1 66.72(11) . . . ? O2 O1 N2 68.51(11) . . . ? O2 O1 C1 63.72(11) . . . ? O2 O1 C2 66.03(11) . . . ? O2 O1 C3 63.75(11) . . . ? O2 O1 C4 64.74(11) . . . ? O2 O1 C5 115.57(11) . . . ? O2 O1 C6 49.73(13) . . . ? O2 O1 C6 149.8(2) . . . ? O2 O1 C7 77.05(13) . . . ? O2 O1 C8 62.9(1) . . . ? O2 O1 C8 100.0(2) . . . ? O2 O1 H1 75.8 . . . no O2 O1 H3 114.1 . . . no O2 O1 H4 104.0 . . . no O2 O1 H4 128.5 . . . no O2 O1 H5 36.0 . . . no O2 O1 H5 149.7 . . . no O2 O1 H6 63.3 . . . no O2 O1 H6 149.7 . . . no O2 O1 H7 47.0 . . . no O2 O1 H7 110.5 . . . no O2 O1 O3 90.54(12) 1_565 1_565 1_565 ? O2 O1 N1 66.72(11) 1_565 1_565 1_565 ? O2 O1 N2 68.54(11) 1_565 1_565 1_565 ? O2 O1 C1 63.73(11) 1_565 1_565 1_565 ? O2 O1 C2 66.05(11) 1_565 1_565 1_565 ? O2 O1 C3 63.76(11) 1_565 1_565 1_565 ? O2 O1 C4 64.74(11) 1_565 1_565 1_565 ? O2 O1 C5 115.57(11) 1_565 1_565 1_565 ? O2 O1 C6 149.8(2) 1_565 1_565 1_565 ? O2 O1 C6 49.74(13) 1_565 1_565 1_565 ? O2 O1 C7 77.03(13) 1_565 1_565 1_565 ? O2 O1 C8 99.9(2) 1_565 1_565 1_565 ? O2 O1 C8 62.9(1) 1_565 1_565 1_565 ? O2 O1 H1 75.8 1_565 1_565 1_565 no O2 O1 H3 114.1 1_565 1_565 1_565 no O2 O1 H4 128.5 1_565 1_565 1_565 no O2 O1 H4 104.0 1_565 1_565 1_565 no O2 O1 H5 149.7 1_565 1_565 1_565 no O2 O1 H5 36.0 1_565 1_565 1_565 no O2 O1 H6 149.7 1_565 1_565 1_565 no O2 O1 H6 63.3 1_565 1_565 1_565 no O2 O1 H7 110.4 1_565 1_565 1_565 no O2 O1 H7 46.9 1_565 1_565 1_565 no O3 O1 N1 118.2(2) 4_654 4_654 4_654 ? O3 O1 N2 56.9(2) 4_654 4_654 4_654 ? O3 O1 C1 88.1(4) 4_654 4_654 4_654 ? O3 O1 C2 67.6(2) 4_654 4_654 4_654 ? O3 O1 C3 87.1(2) 4_654 4_654 4_654 ? O3 O1 C4 106.9(2) 4_654 4_654 4_654 ? O3 O1 C5 75.6(2) 4_654 4_654 4_654 ? O3 O1 C6 61.06(11) 4_654 4_654 4_654 ? O3 O1 C6 61.09(11) 4_654 4_654 4_654 ? O3 O1 C7 150.8(3) 4_654 4_654 4_654 ? O3 O1 C8 152.5(2) 4_654 4_654 4_654 ? O3 O1 C8 152.5(2) 4_654 4_654 4_654 ? O3 O1 H1 34.8 4_654 4_654 4_654 no O3 O1 H3 65.8 4_654 4_654 4_654 no O3 O1 H4 84.6 4_654 4_654 4_654 no O3 O1 H4 84.6 4_654 4_654 4_654 no O3 O1 H5 69.2 4_654 4_654 4_654 no O3 O1 H5 69.2 4_654 4_654 4_654 no O3 O1 H6 59.6 4_654 4_654 4_654 no O3 O1 H6 59.6 4_654 4_654 4_654 no O3 O1 H7 137.2 4_654 4_654 4_654 no O3 O1 H7 137.2 4_654 4_654 4_654 no N1 O1 N2 61.3(2) . . . ? N1 O1 C1 30.1(4) . . . ? N1 O1 C2 50.6(2) . . . ? N1 O1 C3 31.1(2) . . . ? N1 O1 C4 11.2(2) . . . ? N1 O1 C5 166.3(3) . . . ? N1 O1 C6 115.9(1) . . . ? N1 O1 C6 115.9(1) . . . ? N1 O1 C7 32.7(2) . . . ? N1 O1 C8 46.9(2) . . . ? N1 O1 C8 46.9(2) . . . ? N1 O1 H1 83.4 . . . no N1 O1 H3 176.1 . . . no N1 O1 H4 154.4 . . . no N1 O1 H4 154.4 . . . no N1 O1 H5 102.4 . . . no N1 O1 H5 102.4 . . . no N1 O1 H6 129.9 . . . no N1 O1 H6 129.9 . . . no N1 O1 H7 48.4 . . . no N1 O1 H7 48.4 . . . no N2 O1 C1 31.2(4) . . . ? N2 O1 C2 10.7(2) . . . ? N2 O1 C3 30.2(2) . . . ? N2 O1 C4 50.1(2) . . . ? N2 O1 C5 132.4(3) . . . ? N2 O1 C6 86.2(2) . . . ? N2 O1 C6 86.2(2) . . . ? N2 O1 C7 94.0(3) . . . ? N2 O1 C8 103.5(2) . . . ? N2 O1 C8 103.5(2) . . . ? N2 O1 H1 22.1 . . . no N2 O1 H3 122.6 . . . no N2 O1 H4 139.8 . . . no N2 O1 H4 139.8 . . . no N2 O1 H5 81.4 . . . no N2 O1 H5 81.4 . . . no N2 O1 H6 96.1 . . . no N2 O1 H6 96.1 . . . no N2 O1 H7 95.7 . . . no N2 O1 H7 95.7 . . . no C1 O1 C2 20.5(4) . . . ? C1 O1 C3 1.0(4) . . . ? C1 O1 C4 18.9(4) . . . ? C1 O1 C5 163.7(5) . . . ? C1 O1 C6 102.7(2) . . . ? C1 O1 C6 102.7(2) . . . ? C1 O1 C7 62.7(4) . . . ? C1 O1 C8 74.3(4) . . . ? C1 O1 C8 74.3(4) . . . ? C1 O1 H1 53.3 . . . no C1 O1 H3 153.9 . . . no C1 O1 H4 165.7 . . . no C1 O1 H4 165.7 . . . no C1 O1 H5 92.4 . . . no C1 O1 H5 92.4 . . . no C1 O1 H6 116.0 . . . no C1 O1 H6 116.0 . . . no C1 O1 H7 70.4 . . . no C1 O1 H7 70.4 . . . no C2 O1 C3 19.50(13) . . . ? C2 O1 C4 39.4(2) . . . ? C2 O1 C5 143.1(2) . . . ? C2 O1 C6 91.9(1) . . . ? C2 O1 C6 91.9(1) . . . ? C2 O1 C7 83.3(2) . . . ? C2 O1 C8 93.5(2) . . . ? C2 O1 C8 93.5(2) . . . ? C2 O1 H1 32.8 . . . no C2 O1 H3 133.3 . . . no C2 O1 H4 149.7 . . . no C2 O1 H4 149.7 . . . no C2 O1 H5 85.1 . . . no C2 O1 H5 85.1 . . . no C2 O1 H6 103.2 . . . no C2 O1 H6 103.2 . . . no C2 O1 H7 86.9 . . . no C2 O1 H7 87.0 . . . no C3 O1 C4 19.9(1) . . . ? C3 O1 C5 162.6(2) . . . ? C3 O1 C6 102.2(1) . . . ? C3 O1 C6 102.2(1) . . . ? C3 O1 C7 63.8(2) . . . ? C3 O1 C8 75.2(2) . . . ? C3 O1 C8 75.2(2) . . . ? C3 O1 H1 52.3 . . . no C3 O1 H3 152.8 . . . no C3 O1 H4 165.2 . . . no C3 O1 H4 165.2 . . . no C3 O1 H5 92.0 . . . no C3 O1 H5 92.0 . . . no C3 O1 H6 115.4 . . . no C3 O1 H6 115.5 . . . no C3 O1 H7 71.2 . . . no C3 O1 H7 71.2 . . . no C4 O1 C5 177.5(2) . . . ? C4 O1 C6 111.51(13) . . . ? C4 O1 C6 111.52(13) . . . ? C4 O1 C7 43.9(2) . . . ? C4 O1 C8 56.9(2) . . . ? C4 O1 C8 56.9(2) . . . ? C4 O1 H1 72.1 . . . no C4 O1 H3 172.7 . . . no C4 O1 H4 163.3 . . . no C4 O1 H4 163.3 . . . no C4 O1 H5 98.9 . . . no C4 O1 H5 98.9 . . . no C4 O1 H6 125.7 . . . no C4 O1 H6 125.7 . . . no C4 O1 H7 56.0 . . . no C4 O1 H7 56.0 . . . no C5 O1 C6 69.58(13) 1_554 1_554 1_554 ? C5 O1 C6 69.57(13) 1_554 1_554 1_554 ? C5 O1 C7 133.6(3) 1_554 1_554 1_554 ? C5 O1 C8 120.8(2) 1_554 1_554 1_554 ? C5 O1 C8 120.8(2) 1_554 1_554 1_554 ? C5 O1 H1 110.4 1_554 1_554 1_554 no C5 O1 H3 9.8 1_554 1_554 1_554 no C5 O1 H4 15.1 1_554 1_554 1_554 no C5 O1 H4 15.1 1_554 1_554 1_554 no C5 O1 H5 81.9 1_554 1_554 1_554 no C5 O1 H5 81.9 1_554 1_554 1_554 no C5 O1 H6 55.4 1_554 1_554 1_554 no C5 O1 H6 55.4 1_554 1_554 1_554 no C5 O1 H7 122.1 1_554 1_554 1_554 no C5 O1 H7 122.1 1_554 1_554 1_554 no C6 O1 C6 114.9(2) 4_654 4_654 4_654 ? C6 O1 C7 122.51(10) 4_654 4_654 4_654 ? C6 O1 C8 101.81(13) 4_654 4_654 4_654 ? C6 O1 C8 142.7(2) 4_654 4_654 4_654 ? C6 O1 H1 74.8 4_654 4_654 4_654 no C6 O1 H3 65.6 4_654 4_654 4_654 no C6 O1 H4 63.0 4_654 4_654 4_654 no C6 O1 H4 84.5 4_654 4_654 4_654 no C6 O1 H5 13.8 4_654 4_654 4_654 no C6 O1 H5 127.0 4_654 4_654 4_654 no C6 O1 H6 14.2 4_654 4_654 4_654 no C6 O1 H6 105.4 4_654 4_654 4_654 no C6 O1 H7 87.4 4_654 4_654 4_654 no C6 O1 H7 157.7 4_654 4_654 4_654 no C6 O1 C7 122.50(10) 4_664 4_664 4_664 ? C6 O1 C8 142.7(2) 4_664 4_664 4_664 ? C6 O1 C8 101.79(13) 4_664 4_664 4_664 ? C6 O1 H1 74.8 4_664 4_664 4_664 no C6 O1 H3 65.6 4_664 4_664 4_664 no C6 O1 H4 84.5 4_664 4_664 4_664 no C6 O1 H4 63.0 4_664 4_664 4_664 no C6 O1 H5 127.0 4_664 4_664 4_664 no C6 O1 H5 13.8 4_664 4_664 4_664 no C6 O1 H6 105.4 4_664 4_664 4_664 no C6 O1 H6 14.2 4_664 4_664 4_664 no C6 O1 H7 157.7 4_664 4_664 4_664 no C6 O1 H7 87.4 4_664 4_664 4_664 no C7 O1 C8 22.9(1) . . . ? C7 O1 C8 22.9(1) . . . ? C7 O1 H1 116.0 . . . no C7 O1 H3 143.4 . . . no C7 O1 H4 123.8 . . . no C7 O1 H4 123.8 . . . no C7 O1 H5 109.7 . . . no C7 O1 H5 109.7 . . . no C7 O1 H6 131.6 . . . no C7 O1 H6 131.6 . . . no C7 O1 H7 35.3 . . . no C7 O1 H7 35.3 . . . no C8 O1 C8 41.0(2) . . . ? C8 O1 H1 123.8 . . . no C8 O1 H3 129.6 . . . no C8 O1 H4 107.5 . . . no C8 O1 H4 116.7 . . . no C8 O1 H5 90.3 . . . no C8 O1 H5 131.2 . . . no C8 O1 H6 109.2 . . . no C8 O1 H6 147.4 . . . no C8 O1 H7 16.0 . . . no C8 O1 H7 56.1 . . . no C8 O1 H1 123.8 7 7 7 no C8 O1 H3 129.6 7 7 7 no C8 O1 H4 116.7 7 7 7 no C8 O1 H4 107.5 7 7 7 no C8 O1 H5 131.2 7 7 7 no C8 O1 H5 90.2 7 7 7 no C8 O1 H6 147.4 7 7 7 no C8 O1 H6 109.2 7 7 7 no C8 O1 H7 56.1 7 7 7 no C8 O1 H7 16.0 7 7 7 no H1 O1 H3 100.6 . . . no H1 O1 H4 118.6 . . . no H1 O1 H4 118.6 . . . no H1 O1 H5 74.9 . . . no H1 O1 H5 74.9 . . . no H1 O1 H6 81.1 . . . no H1 O1 H6 81.1 . . . no H1 O1 H7 113.4 . . . no H1 O1 H7 113.4 . . . no H3 O1 H4 22.2 1_554 1_554 1_554 no H3 O1 H4 22.2 1_554 1_554 1_554 no H3 O1 H5 78.8 1_554 1_554 1_554 no H3 O1 H5 78.8 1_554 1_554 1_554 no H3 O1 H6 51.4 1_554 1_554 1_554 no H3 O1 H6 51.4 1_554 1_554 1_554 no H3 O1 H7 129.0 1_554 1_554 1_554 no H3 O1 H7 129.0 1_554 1_554 1_554 no H4 O1 H4 24.5 1_554 1_554 1_554 no H4 O1 H5 73.5 1_554 1_554 1_554 no H4 O1 H5 96.4 1_554 1_554 1_554 no H4 O1 H6 49.7 1_554 1_554 1_554 no H4 O1 H6 70.4 1_554 1_554 1_554 no H4 O1 H7 107.3 1_554 1_554 1_554 no H4 O1 H7 122.8 1_554 1_554 1_554 no H4 O1 H5 96.4 7_554 7_554 7_554 no H4 O1 H5 73.5 7_554 7_554 7_554 no H4 O1 H6 70.4 7_554 7_554 7_554 no H4 O1 H6 49.7 7_554 7_554 7_554 no H4 O1 H7 122.8 7_554 7_554 7_554 no H4 O1 H7 107.3 7_554 7_554 7_554 no H5 O1 H5 137.9 4_654 4_654 4_654 no H5 O1 H6 27.4 4_654 4_654 4_654 no H5 O1 H6 118.6 4_654 4_654 4_654 no H5 O1 H7 75.1 4_654 4_654 4_654 no H5 O1 H7 144.8 4_654 4_654 4_654 no H5 O1 H6 118.6 4_664 4_664 4_664 no H5 O1 H6 27.4 4_664 4_664 4_664 no H5 O1 H7 144.8 4_664 4_664 4_664 no H5 O1 H7 75.1 4_664 4_664 4_664 no H6 O1 H6 94.2 4_654 4_654 4_654 no H6 O1 H7 96.5 4_654 4_654 4_654 no H6 O1 H7 163.2 4_654 4_654 4_654 no H6 O1 H7 163.2 6_654 6_654 6_654 no H6 O1 H7 96.5 6_654 6_654 6_654 no H7 O1 H7 70.3 . . . no CL1 O2 O1 65.35(11) 3_646 3_646 3_646 ? CL1 O2 O1 65.37(11) 3_646 3_646 3_646 ? CL1 O2 O3 169.3(3) 3_646 3_646 3_646 ? CL1 O2 O4 129.8(3) 3_646 3_646 3_646 ? CL1 O2 N1 91.6(1) 3_646 3_646 3_646 ? CL1 O2 N1 91.6(1) 3_646 3_646 3_646 ? CL1 O2 N2 102.4(1) 3_646 3_646 3_646 ? CL1 O2 N2 102.4(1) 3_646 3_646 3_646 ? CL1 O2 N3 159.7(4) 3_646 3_646 3_646 ? CL1 O2 C1 84.4(2) 3_646 3_646 3_646 ? CL1 O2 C1 84.4(2) 3_646 3_646 3_646 ? CL1 O2 C2 121.82(12) 3_646 3_646 3_646 ? CL1 O2 C2 121.83(12) 3_646 3_646 3_646 ? CL1 O2 C2 77.9(2) 3_646 3_646 3_646 ? CL1 O2 C3 126.28(10) 3_646 3_646 3_646 ? CL1 O2 C3 126.30(10) 3_646 3_646 3_646 ? CL1 O2 C3 98.9(2) 3_646 3_646 3_646 ? CL1 O2 C4 111.6(1) 3_646 3_646 3_646 ? CL1 O2 C4 111.6(1) 3_646 3_646 3_646 ? CL1 O2 C6 55.7(2) 3_646 3_646 3_646 ? CL1 O2 C7 75.5(1) 3_646 3_646 3_646 ? CL1 O2 C7 75.5(1) 3_646 3_646 3_646 ? CL1 O2 C8 65.7(2) 3_646 3_646 3_646 ? CL1 O2 C8 65.7(2) 3_646 3_646 3_646 ? CL1 O2 H1 98.0 3_646 3_646 3_646 no CL1 O2 H1 98.1 3_646 3_646 3_646 no CL1 O2 H1 175.0 3_646 3_646 3_646 no CL1 O2 H2 109.1 3_646 3_646 3_646 no CL1 O2 H5 54.0 3_646 3_646 3_646 no CL1 O2 H6 48.9 3_646 3_646 3_646 no CL1 O2 H6 48.9 3_646 3_646 3_646 no CL1 O2 H7 66.6 3_646 3_646 3_646 no CL1 O2 H7 66.6 3_646 3_646 3_646 no O1 O2 O1 127.4(2) . . . ? O1 O2 O3 112.45(12) . . . ? O1 O2 O4 112.50(12) . . . ? O1 O2 N1 38.70(12) . . . ? O1 O2 N1 154.9(2) . . . ? O1 O2 N2 38.23(11) . . . ? O1 O2 N2 150.2(2) . . . ? O1 O2 N3 116.32(11) . . . ? O1 O2 C1 19.94(13) . . . ? O1 O2 C1 147.3(3) . . . ? O1 O2 C2 56.60(11) . . . ? O1 O2 C2 158.5(2) . . . ? O1 O2 C2 76.44(12) . . . ? O1 O2 C3 63.61(11) . . . ? O1 O2 C3 168.4(2) . . . ? O1 O2 C3 85.19(13) . . . ? O1 O2 C4 57.52(13) . . . ? O1 O2 C4 164.9(2) . . . ? O1 O2 C6 68.93(12) . . . ? O1 O2 C7 41.72(13) . . . ? O1 O2 C7 134.3(2) . . . ? O1 O2 C8 55.3(1) . . . ? O1 O2 C8 116.2(2) . . . ? O1 O2 H1 39.6 . . . no O1 O2 H1 136.6 . . . no O1 O2 H1 115.4 . . . no O1 O2 H2 89.7 . . . no O1 O2 H5 68.5 . . . no O1 O2 H6 77.2 . . . no O1 O2 H6 56.8 . . . no O1 O2 H7 64.8 . . . no O1 O2 H7 109.8 . . . no O1 O2 O3 112.42(12) 1_545 1_545 1_545 ? O1 O2 O4 112.51(12) 1_545 1_545 1_545 ? O1 O2 N1 154.9(2) 1_545 1_545 1_545 ? O1 O2 N1 38.71(12) 1_545 1_545 1_545 ? O1 O2 N2 150.2(2) 1_545 1_545 1_545 ? O1 O2 N2 38.23(11) 1_545 1_545 1_545 ? O1 O2 N3 116.31(11) 1_545 1_545 1_545 ? O1 O2 C1 147.2(3) 1_545 1_545 1_545 ? O1 O2 C1 19.94(13) 1_545 1_545 1_545 ? O1 O2 C2 158.5(2) 1_545 1_545 1_545 ? O1 O2 C2 56.60(11) 1_545 1_545 1_545 ? O1 O2 C2 76.43(12) 1_545 1_545 1_545 ? O1 O2 C3 168.4(2) 1_545 1_545 1_545 ? O1 O2 C3 63.61(11) 1_545 1_545 1_545 ? O1 O2 C3 85.17(13) 1_545 1_545 1_545 ? O1 O2 C4 164.9(2) 1_545 1_545 1_545 ? O1 O2 C4 57.52(13) 1_545 1_545 1_545 ? O1 O2 C6 68.93(12) 1_545 1_545 1_545 ? O1 O2 C7 134.4(2) 1_545 1_545 1_545 ? O1 O2 C7 41.73(13) 1_545 1_545 1_545 ? O1 O2 C8 116.2(2) 1_545 1_545 1_545 ? O1 O2 C8 55.3(1) 1_545 1_545 1_545 ? O1 O2 H1 136.6 1_545 1_545 1_545 no O1 O2 H1 39.6 1_545 1_545 1_545 no O1 O2 H1 115.4 1_545 1_545 1_545 no O1 O2 H2 89.7 1_545 1_545 1_545 no O1 O2 H5 68.5 1_545 1_545 1_545 no O1 O2 H6 56.8 1_545 1_545 1_545 no O1 O2 H6 77.2 1_545 1_545 1_545 no O1 O2 H7 109.8 1_545 1_545 1_545 no O1 O2 H7 64.8 1_545 1_545 1_545 no O3 O2 O4 60.9(2) . . . ? O3 O2 N1 92.0(2) . . . ? O3 O2 N1 92.0(2) . . . ? O3 O2 N2 74.30(13) . . . ? O3 O2 N2 74.27(13) . . . ? O3 O2 N3 31.0(4) . . . ? O3 O2 C1 94.9(2) . . . ? O3 O2 C1 94.9(2) . . . ? O3 O2 C2 56.29(11) . . . ? O3 O2 C2 56.27(11) . . . ? O3 O2 C2 91.3(2) . . . ? O3 O2 C3 56.23(11) . . . ? O3 O2 C3 56.21(11) . . . ? O3 O2 C3 70.3(2) . . . ? O3 O2 C4 73.3(2) . . . ? O3 O2 C4 73.3(2) . . . ? O3 O2 C6 113.6(3) . . . ? O3 O2 C7 110.2(2) . . . ? O3 O2 C7 110.2(2) . . . ? O3 O2 C8 122.6(2) . . . ? O3 O2 C8 122.5(2) . . . ? O3 O2 H1 76.3 . . . no O3 O2 H1 76.3 . . . no O3 O2 H1 15.7 . . . no O3 O2 H2 60.1 . . . no O3 O2 H5 115.3 . . . no O3 O2 H6 120.6 . . . no O3 O2 H6 120.6 . . . no O3 O2 H7 122.8 . . . no O3 O2 H7 122.8 . . . no O4 O2 N1 73.87(13) . . . ? O4 O2 N1 73.87(13) . . . ? O4 O2 N2 96.3(2) . . . ? O4 O2 N2 96.3(2) . . . ? O4 O2 N3 29.9(3) . . . ? O4 O2 C1 96.1(2) . . . ? O4 O2 C1 96.1(2) . . . ? O4 O2 C2 79.3(2) . . . ? O4 O2 C2 79.3(2) . . . ? O4 O2 C2 152.2(3) . . . ? O4 O2 C3 61.0(1) . . . ? O4 O2 C3 61.0(1) . . . ? O4 O2 C3 131.2(3) . . . ? O4 O2 C4 56.98(13) . . . ? O4 O2 C4 56.98(13) . . . ? O4 O2 C6 174.5(3) . . . ? O4 O2 C7 75.5(2) . . . ? O4 O2 C7 75.4(2) . . . ? O4 O2 C8 73.4(2) . . . ? O4 O2 C8 73.4(2) . . . ? O4 O2 H1 108.6 . . . no O4 O2 H1 108.6 . . . no O4 O2 H1 45.2 . . . no O4 O2 H2 121.0 . . . no O4 O2 H5 176.2 . . . no O4 O2 H6 169.3 . . . no O4 O2 H6 169.3 . . . no O4 O2 H7 68.3 . . . no O4 O2 H7 68.3 . . . no N1 O2 N1 140.3(2) . . . ? N1 O2 N2 40.10(11) . . . ? N1 O2 N2 166.0(2) . . . ? N1 O2 N3 81.7(2) . . . ? N1 O2 C1 24.2(1) . . . ? N1 O2 C1 163.1(2) . . . ? N1 O2 C2 43.58(12) . . . ? N1 O2 C2 146.0(2) . . . ? N1 O2 C2 109.69(12) . . . ? N1 O2 C3 35.89(12) . . . ? N1 O2 C3 133.2(2) . . . ? N1 O2 C3 109.27(11) . . . ? N1 O2 C4 20.80(12) . . . ? N1 O2 C4 129.9(2) . . . ? N1 O2 C6 107.18(13) . . . ? N1 O2 C7 21.15(11) . . . ? N1 O2 C7 125.7(2) . . . ? N1 O2 C8 40.43(12) . . . ? N1 O2 C8 107.5(2) . . . ? N1 O2 H1 52.4 . . . no N1 O2 H1 164.1 . . . no N1 O2 H1 86.7 . . . no N1 O2 H2 108.1 . . . no N1 O2 H5 106.9 . . . no N1 O2 H6 115.9 . . . no N1 O2 H6 95.4 . . . no N1 O2 H7 48.3 . . . no N1 O2 H7 97.9 . . . no N1 O2 N2 166.0(2) 1_545 1_545 1_545 ? N1 O2 N2 40.10(11) 1_545 1_545 1_545 ? N1 O2 N3 81.7(2) 1_545 1_545 1_545 ? N1 O2 C1 163.1(2) 1_545 1_545 1_545 ? N1 O2 C1 24.2(1) 1_545 1_545 1_545 ? N1 O2 C2 146.0(2) 1_545 1_545 1_545 ? N1 O2 C2 43.57(12) 1_545 1_545 1_545 ? N1 O2 C2 109.67(12) 1_545 1_545 1_545 ? N1 O2 C3 133.2(2) 1_545 1_545 1_545 ? N1 O2 C3 35.88(12) 1_545 1_545 1_545 ? N1 O2 C3 109.25(11) 1_545 1_545 1_545 ? N1 O2 C4 129.9(2) 1_545 1_545 1_545 ? N1 O2 C4 20.80(12) 1_545 1_545 1_545 ? N1 O2 C6 107.18(13) 1_545 1_545 1_545 ? N1 O2 C7 125.7(2) 1_545 1_545 1_545 ? N1 O2 C7 21.16(11) 1_545 1_545 1_545 ? N1 O2 C8 107.5(2) 1_545 1_545 1_545 ? N1 O2 C8 40.45(12) 1_545 1_545 1_545 ? N1 O2 H1 164.1 1_545 1_545 1_545 no N1 O2 H1 52.4 1_545 1_545 1_545 no N1 O2 H1 86.7 1_545 1_545 1_545 no N1 O2 H2 108.1 1_545 1_545 1_545 no N1 O2 H5 106.9 1_545 1_545 1_545 no N1 O2 H6 95.4 1_545 1_545 1_545 no N1 O2 H6 115.9 1_545 1_545 1_545 no N1 O2 H7 97.9 1_545 1_545 1_545 no N1 O2 H7 48.4 1_545 1_545 1_545 no N2 O2 N2 134.5(2) . . . ? N2 O2 N3 84.8(2) . . . ? N2 O2 C1 23.97(13) . . . ? N2 O2 C1 156.8(2) . . . ? N2 O2 C2 20.11(12) . . . ? N2 O2 C2 125.8(2) . . . ? N2 O2 C2 74.39(12) . . . ? N2 O2 C3 35.35(13) . . . ? N2 O2 C3 130.5(2) . . . ? N2 O2 C3 69.48(11) . . . ? N2 O2 C4 43.71(13) . . . ? N2 O2 C4 145.4(2) . . . ? N2 O2 C6 81.71(13) . . . ? N2 O2 C7 58.82(11) . . . ? N2 O2 C7 165.8(2) . . . ? N2 O2 C8 78.34(12) . . . ? N2 O2 C8 147.0(2) . . . ? N2 O2 H1 13.8 . . . no N2 O2 H1 124.7 . . . no N2 O2 H1 79.3 . . . no N2 O2 H2 68.1 . . . no N2 O2 H5 82.3 . . . no N2 O2 H6 94.3 . . . no N2 O2 H6 74.8 . . . no N2 O2 H7 87.3 . . . no N2 O2 H7 137.7 . . . no N2 O2 N3 84.8(2) 1_545 1_545 1_545 ? N2 O2 C1 156.8(2) 1_545 1_545 1_545 ? N2 O2 C1 23.97(13) 1_545 1_545 1_545 ? N2 O2 C2 125.8(2) 1_545 1_545 1_545 ? N2 O2 C2 20.10(12) 1_545 1_545 1_545 ? N2 O2 C2 74.38(12) 1_545 1_545 1_545 ? N2 O2 C3 130.5(2) 1_545 1_545 1_545 ? N2 O2 C3 35.34(13) 1_545 1_545 1_545 ? N2 O2 C3 69.46(11) 1_545 1_545 1_545 ? N2 O2 C4 145.4(2) 1_545 1_545 1_545 ? N2 O2 C4 43.70(13) 1_545 1_545 1_545 ? N2 O2 C6 81.70(13) 1_545 1_545 1_545 ? N2 O2 C7 165.8(2) 1_545 1_545 1_545 ? N2 O2 C7 58.83(11) 1_545 1_545 1_545 ? N2 O2 C8 147.0(2) 1_545 1_545 1_545 ? N2 O2 C8 78.35(12) 1_545 1_545 1_545 ? N2 O2 H1 124.7 1_545 1_545 1_545 no N2 O2 H1 13.8 1_545 1_545 1_545 no N2 O2 H1 79.3 1_545 1_545 1_545 no N2 O2 H2 68.0 1_545 1_545 1_545 no N2 O2 H5 82.3 1_545 1_545 1_545 no N2 O2 H6 74.8 1_545 1_545 1_545 no N2 O2 H6 94.3 1_545 1_545 1_545 no N2 O2 H7 137.7 1_545 1_545 1_545 no N2 O2 H7 87.3 1_545 1_545 1_545 no N3 O2 C1 96.4(2) . . . ? N3 O2 C1 96.4(2) . . . ? N3 O2 C2 64.8(2) . . . ? N3 O2 C2 64.8(2) . . . ? N3 O2 C2 122.3(5) . . . ? N3 O2 C3 52.94(11) . . . ? N3 O2 C3 52.93(11) . . . ? N3 O2 C3 101.3(4) . . . ? N3 O2 C4 61.0(2) . . . ? N3 O2 C4 61.0(2) . . . ? N3 O2 C6 144.6(5) . . . ? N3 O2 C7 92.8(3) . . . ? N3 O2 C7 92.8(3) . . . ? N3 O2 C8 98.0(4) . . . ? N3 O2 C8 98.0(4) . . . ? N3 O2 H1 93.0 . . . no N3 O2 H1 93.0 . . . no N3 O2 H1 15.3 . . . no N3 O2 H2 91.2 . . . no N3 O2 H5 146.3 . . . no N3 O2 H6 150.4 . . . no N3 O2 H6 150.5 . . . no N3 O2 H7 95.3 . . . no N3 O2 H7 95.3 . . . no C1 O2 C1 167.0(4) . . . ? C1 O2 C2 38.7(2) . . . ? C1 O2 C2 149.4(2) . . . ? C1 O2 C2 85.6(2) . . . ? C1 O2 C3 43.7(2) . . . ? C1 O2 C3 148.8(2) . . . ? C1 O2 C3 87.6(2) . . . ? C1 O2 C4 39.3(2) . . . ? C1 O2 C4 153.1(3) . . . ? C1 O2 C6 84.1(2) . . . ? C1 O2 C7 37.4(2) . . . ? C1 O2 C7 143.8(2) . . . ? C1 O2 C8 55.9(2) . . . ? C1 O2 C8 124.1(2) . . . ? C1 O2 H1 32.2 . . . no C1 O2 H1 144.4 . . . no C1 O2 H1 95.9 . . . no C1 O2 H2 88.7 . . . no C1 O2 H5 84.0 . . . no C1 O2 H6 94.3 . . . no C1 O2 H6 73.3 . . . no C1 O2 H7 65.4 . . . no C1 O2 H7 115.5 . . . no C1 O2 C2 149.4(2) 1_545 1_545 1_545 ? C1 O2 C2 38.7(2) 1_545 1_545 1_545 ? C1 O2 C2 85.6(2) 1_545 1_545 1_545 ? C1 O2 C3 148.8(2) 1_545 1_545 1_545 ? C1 O2 C3 43.7(2) 1_545 1_545 1_545 ? C1 O2 C3 87.6(2) 1_545 1_545 1_545 ? C1 O2 C4 153.1(3) 1_545 1_545 1_545 ? C1 O2 C4 39.3(2) 1_545 1_545 1_545 ? C1 O2 C6 84.1(2) 1_545 1_545 1_545 ? C1 O2 C7 143.8(2) 1_545 1_545 1_545 ? C1 O2 C7 37.4(2) 1_545 1_545 1_545 ? C1 O2 C8 124.2(2) 1_545 1_545 1_545 ? C1 O2 C8 56.0(2) 1_545 1_545 1_545 ? C1 O2 H1 144.4 1_545 1_545 1_545 no C1 O2 H1 32.2 1_545 1_545 1_545 no C1 O2 H1 95.9 1_545 1_545 1_545 no C1 O2 H2 88.7 1_545 1_545 1_545 no C1 O2 H5 84.0 1_545 1_545 1_545 no C1 O2 H6 73.3 1_545 1_545 1_545 no C1 O2 H6 94.3 1_545 1_545 1_545 no C1 O2 H7 115.6 1_545 1_545 1_545 no C1 O2 H7 65.4 1_545 1_545 1_545 no C2 O2 C2 111.4(2) . . . ? C2 O2 C2 85.17(11) . . . ? C2 O2 C3 19.80(13) . . . ? C2 O2 C3 111.8(2) . . . ? C2 O2 C3 73.84(13) . . . ? C2 O2 C4 36.2(1) . . . ? C2 O2 C4 125.3(2) . . . ? C2 O2 C6 97.6(2) . . . ? C2 O2 C7 64.71(12) . . . ? C2 O2 C7 154.8(2) . . . ? C2 O2 C8 83.89(13) . . . ? C2 O2 C8 145.7(2) . . . ? C2 O2 H1 29.6 . . . no C2 O2 H1 120.7 . . . no C2 O2 H1 59.5 . . . no C2 O2 H2 68.9 . . . no C2 O2 H5 98.6 . . . no C2 O2 H6 110.6 . . . no C2 O2 H6 92.9 . . . no C2 O2 H7 91.1 . . . no C2 O2 H7 136.3 . . . no C2 O2 C2 85.16(11) 1_545 1_545 1_545 ? C2 O2 C3 111.8(2) 1_545 1_545 1_545 ? C2 O2 C3 19.79(13) 1_545 1_545 1_545 ? C2 O2 C3 73.82(13) 1_545 1_545 1_545 ? C2 O2 C4 125.3(2) 1_545 1_545 1_545 ? C2 O2 C4 36.2(1) 1_545 1_545 1_545 ? C2 O2 C6 97.6(2) 1_545 1_545 1_545 ? C2 O2 C7 154.8(2) 1_545 1_545 1_545 ? C2 O2 C7 64.71(12) 1_545 1_545 1_545 ? C2 O2 C8 145.7(2) 1_545 1_545 1_545 ? C2 O2 C8 83.90(13) 1_545 1_545 1_545 ? C2 O2 H1 120.7 1_545 1_545 1_545 no C2 O2 H1 29.6 1_545 1_545 1_545 no C2 O2 H1 59.5 1_545 1_545 1_545 no C2 O2 H2 68.8 1_545 1_545 1_545 no C2 O2 H5 98.6 1_545 1_545 1_545 no C2 O2 H6 92.9 1_545 1_545 1_545 no C2 O2 H6 110.6 1_545 1_545 1_545 no C2 O2 H7 136.4 1_545 1_545 1_545 no C2 O2 H7 91.1 1_545 1_545 1_545 no C2 O2 C3 104.95(13) 4_654 4_654 4_654 ? C2 O2 C3 104.94(13) 4_654 4_654 4_654 ? C2 O2 C3 21.01(13) 4_654 4_654 4_654 ? C2 O2 C4 118.07(13) 4_654 4_654 4_654 ? C2 O2 C4 118.05(13) 4_654 4_654 4_654 ? C2 O2 C6 22.2(2) 4_654 4_654 4_654 ? C2 O2 C7 118.2(1) 4_654 4_654 4_654 ? C2 O2 C7 118.1(1) 4_654 4_654 4_654 ? C2 O2 C8 127.8(2) 4_654 4_654 4_654 ? C2 O2 C8 127.8(2) 4_654 4_654 4_654 ? C2 O2 H1 60.6 4_654 4_654 4_654 no C2 O2 H1 60.6 4_654 4_654 4_654 no C2 O2 H1 107.0 4_654 4_654 4_654 no C2 O2 H2 31.2 4_654 4_654 4_654 no C2 O2 H5 23.9 4_654 4_654 4_654 no C2 O2 H6 31.5 4_654 4_654 4_654 no C2 O2 H6 31.5 4_654 4_654 4_654 no C2 O2 H7 135.3 4_654 4_654 4_654 no C2 O2 H7 135.3 4_654 4_654 4_654 no C3 O2 C3 105.2(2) . . . ? C3 O2 C3 92.50(11) . . . ? C3 O2 C4 20.13(13) . . . ? C3 O2 C4 113.1(2) . . . ? C3 O2 C6 116.5(1) . . . ? C3 O2 C7 55.55(13) . . . ? C3 O2 C7 135.6(2) . . . ? C3 O2 C8 72.4(1) . . . ? C3 O2 C8 126.4(2) . . . ? C3 O2 H1 47.7 . . . no C3 O2 H1 130.8 . . . no C3 O2 H1 53.0 . . . no C3 O2 H2 86.3 . . . no C3 O2 H5 117.3 . . . no C3 O2 H6 129.3 . . . no C3 O2 H6 110.2 . . . no C3 O2 H7 77.6 . . . no C3 O2 H7 117.5 . . . no C3 O2 C3 92.48(11) 1_545 1_545 1_545 ? C3 O2 C4 113.1(2) 1_545 1_545 1_545 ? C3 O2 C4 20.12(13) 1_545 1_545 1_545 ? C3 O2 C6 116.5(1) 1_545 1_545 1_545 ? C3 O2 C7 135.7(2) 1_545 1_545 1_545 ? C3 O2 C7 55.55(13) 1_545 1_545 1_545 ? C3 O2 C8 126.4(2) 1_545 1_545 1_545 ? C3 O2 C8 72.4(1) 1_545 1_545 1_545 ? C3 O2 H1 130.8 1_545 1_545 1_545 no C3 O2 H1 47.7 1_545 1_545 1_545 no C3 O2 H1 53.0 1_545 1_545 1_545 no C3 O2 H2 86.3 1_545 1_545 1_545 no C3 O2 H5 117.3 1_545 1_545 1_545 no C3 O2 H6 110.2 1_545 1_545 1_545 no C3 O2 H6 129.3 1_545 1_545 1_545 no C3 O2 H7 117.6 1_545 1_545 1_545 no C3 O2 H7 77.6 1_545 1_545 1_545 no C3 O2 C4 109.9(1) 4_654 4_654 4_654 ? C3 O2 C4 109.9(1) 4_654 4_654 4_654 ? C3 O2 C6 43.3(2) 4_654 4_654 4_654 ? C3 O2 C7 124.65(11) 4_654 4_654 4_654 ? C3 O2 C7 124.63(11) 4_654 4_654 4_654 ? C3 O2 C8 140.4(2) 4_654 4_654 4_654 ? C3 O2 C8 140.4(2) 4_654 4_654 4_654 ? C3 O2 H1 56.8 4_654 4_654 4_654 no C3 O2 H1 56.8 4_654 4_654 4_654 no C3 O2 H1 86.0 4_654 4_654 4_654 no C3 O2 H2 10.2 4_654 4_654 4_654 no C3 O2 H5 45.0 4_654 4_654 4_654 no C3 O2 H6 51.7 4_654 4_654 4_654 no C3 O2 H6 51.7 4_654 4_654 4_654 no C3 O2 H7 149.8 4_654 4_654 4_654 no C3 O2 H7 149.8 4_654 4_654 4_654 no C4 O2 C4 113.9(3) . . . ? C4 O2 C6 122.68(13) . . . ? C4 O2 C7 37.0(2) . . . ? C4 O2 C7 123.5(2) . . . ? C4 O2 C8 52.5(2) . . . ? C4 O2 C8 109.7(2) . . . ? C4 O2 H1 57.5 . . . no C4 O2 H1 149.6 . . . no C4 O2 H1 66.3 . . . no C4 O2 H2 105.0 . . . no C4 O2 H5 122.8 . . . no C4 O2 H6 133.5 . . . no C4 O2 H6 112.6 . . . no C4 O2 H7 57.5 . . . no C4 O2 H7 100.2 . . . no C4 O2 C6 122.68(13) 1_545 1_545 1_545 ? C4 O2 C7 123.5(2) 1_545 1_545 1_545 ? C4 O2 C7 37.0(2) 1_545 1_545 1_545 ? C4 O2 C8 109.7(2) 1_545 1_545 1_545 ? C4 O2 C8 52.5(2) 1_545 1_545 1_545 ? C4 O2 H1 149.6 1_545 1_545 1_545 no C4 O2 H1 57.5 1_545 1_545 1_545 no C4 O2 H1 66.3 1_545 1_545 1_545 no C4 O2 H2 105.0 1_545 1_545 1_545 no C4 O2 H5 122.8 1_545 1_545 1_545 no C4 O2 H6 112.6 1_545 1_545 1_545 no C4 O2 H6 133.5 1_545 1_545 1_545 no C4 O2 H7 100.2 1_545 1_545 1_545 no C4 O2 H7 57.5 1_545 1_545 1_545 no C6 O2 C7 107.6(2) 4_654 4_654 4_654 ? C6 O2 C7 107.6(2) 4_654 4_654 4_654 ? C6 O2 C8 111.0(2) 4_654 4_654 4_654 ? C6 O2 C8 111.0(2) 4_654 4_654 4_654 ? C6 O2 H1 68.9 4_654 4_654 4_654 no C6 O2 H1 68.9 4_654 4_654 4_654 no C6 O2 H1 129.3 4_654 4_654 4_654 no C6 O2 H2 53.4 4_654 4_654 4_654 no C6 O2 H5 1.7 4_654 4_654 4_654 no C6 O2 H6 12.9 4_654 4_654 4_654 no C6 O2 H6 12.9 4_654 4_654 4_654 no C6 O2 H7 116.5 4_654 4_654 4_654 no C6 O2 H7 116.5 4_654 4_654 4_654 no C7 O2 C7 107.5(2) . . . ? C7 O2 C8 19.68(10) . . . ? C7 O2 C8 88.2(2) . . . ? C7 O2 H1 69.3 . . . no C7 O2 H1 173.5 . . . no C7 O2 H1 101.7 . . . no C7 O2 H2 126.1 . . . no C7 O2 H5 106.6 . . . no C7 O2 H6 112.0 . . . no C7 O2 H6 94.6 . . . no C7 O2 H7 28.5 . . . no C7 O2 H7 79.0 . . . no C7 O2 C8 88.2(2) 1_545 1_545 1_545 ? C7 O2 C8 19.69(10) 1_545 1_545 1_545 ? C7 O2 H1 173.5 1_545 1_545 1_545 no C7 O2 H1 69.3 1_545 1_545 1_545 no C7 O2 H1 101.7 1_545 1_545 1_545 no C7 O2 H2 126.0 1_545 1_545 1_545 no C7 O2 H5 106.6 1_545 1_545 1_545 no C7 O2 H6 94.6 1_545 1_545 1_545 no C7 O2 H6 112.0 1_545 1_545 1_545 no C7 O2 H7 79.0 1_545 1_545 1_545 no C7 O2 H7 28.5 1_545 1_545 1_545 no C8 O2 C8 68.7(2) . . . ? C8 O2 H1 88.1 . . . no C8 O2 H1 155.4 . . . no C8 O2 H1 110.4 . . . no C8 O2 H2 144.2 . . . no C8 O2 H5 109.7 . . . no C8 O2 H6 110.8 . . . no C8 O2 H6 98.6 . . . no C8 O2 H7 9.7 . . . no C8 O2 H7 59.7 . . . no C8 O2 H1 155.4 7_545 7_545 7_545 no C8 O2 H1 88.1 7_545 7_545 7_545 no C8 O2 H1 110.4 7_545 7_545 7_545 no C8 O2 H2 144.2 7_545 7_545 7_545 no C8 O2 H5 109.7 7_545 7_545 7_545 no C8 O2 H6 98.6 7_545 7_545 7_545 no C8 O2 H6 110.8 7_545 7_545 7_545 no C8 O2 H7 59.7 7_545 7_545 7_545 no C8 O2 H7 9.7 7_545 7_545 7_545 no H1 O2 H1 113.3 . . . no H1 O2 H1 84.6 . . . no H1 O2 H2 56.8 . . . no H1 O2 H5 69.6 . . . no H1 O2 H6 81.7 . . . no H1 O2 H6 63.3 . . . no H1 O2 H7 97.6 . . . no H1 O2 H7 147.5 . . . no H1 O2 H1 84.6 1_545 1_545 1_545 no H1 O2 H2 56.7 1_545 1_545 1_545 no H1 O2 H5 69.6 1_545 1_545 1_545 no H1 O2 H6 63.3 1_545 1_545 1_545 no H1 O2 H6 81.7 1_545 1_545 1_545 no H1 O2 H7 147.6 1_545 1_545 1_545 no H1 O2 H7 97.6 1_545 1_545 1_545 no H1 O2 H2 75.8 4_655 4_655 4_655 no H1 O2 H5 131.0 4_655 4_655 4_655 no H1 O2 H6 135.9 4_655 4_655 4_655 no H1 O2 H6 135.9 4_655 4_655 4_655 no H1 O2 H7 109.0 4_655 4_655 4_655 no H1 O2 H7 109.0 4_655 4_655 4_655 no H2 O2 H5 55.1 4_654 4_654 4_654 no H2 O2 H6 61.6 4_654 4_654 4_654 no H2 O2 H6 61.6 4_654 4_654 4_654 no H2 O2 H7 153.9 4_654 4_654 4_654 no H2 O2 H7 153.9 4_654 4_654 4_654 no H5 O2 H6 12.0 4_654 4_654 4_654 no H5 O2 H6 12.0 4_654 4_654 4_654 no H5 O2 H7 115.0 4_654 4_654 4_654 no H5 O2 H7 115.0 4_654 4_654 4_654 no H6 O2 H6 21.0 6_644 6_644 6_644 no H6 O2 H7 114.2 6_644 6_644 6_644 no H6 O2 H7 104.8 6_644 6_644 6_644 no H6 O2 H7 104.8 4_654 4_654 4_654 no H6 O2 H7 114.2 4_654 4_654 4_654 no H7 O2 H7 50.5 . . . no O1 O3 O2 164.8(3) 4_655 4_655 4_655 ? O1 O3 O4 136.1(3) 4_655 4_655 4_655 ? O1 O3 N2 105.04(12) 4_655 4_655 4_655 ? O1 O3 N2 105.02(12) 4_655 4_655 4_655 ? O1 O3 N2 42.9(2) 4_655 4_655 4_655 ? O1 O3 N3 165.6(5) 4_655 4_655 4_655 ? O1 O3 C1 124.55(10) 4_655 4_655 4_655 ? O1 O3 C1 124.52(10) 4_655 4_655 4_655 ? O1 O3 C1 20.38(12) 4_655 4_655 4_655 ? O1 O3 C2 88.3(2) 4_655 4_655 4_655 ? O1 O3 C2 88.3(2) 4_655 4_655 4_655 ? O1 O3 C2 58.7(1) 4_655 4_655 4_655 ? O1 O3 C3 93.1(1) 4_655 4_655 4_655 ? O1 O3 C3 93.0(1) 4_655 4_655 4_655 ? O1 O3 C3 90.3(2) 4_655 4_655 4_655 ? O1 O3 C4 113.0(1) 4_655 4_655 4_655 ? O1 O3 C4 113.0(1) 4_655 4_655 4_655 ? O1 O3 C6 65.71(12) 4_655 4_655 4_655 ? O1 O3 C6 65.69(12) 4_655 4_655 4_655 ? O1 O3 C6 81.0(2) 4_655 4_655 4_655 ? O1 O3 H1 100.4 4_655 4_655 4_655 no O1 O3 H1 100.3 4_655 4_655 4_655 no O1 O3 H1 48.6 4_655 4_655 4_655 no O1 O3 H2 81.3 4_655 4_655 4_655 no O1 O3 H2 81.3 4_655 4_655 4_655 no O1 O3 H2 91.8 4_655 4_655 4_655 no O1 O3 H3 46.7 4_655 4_655 4_655 no O1 O3 H5 56.6 4_655 4_655 4_655 no O1 O3 H5 56.5 4_655 4_655 4_655 no O1 O3 H5 132.3 4_655 4_655 4_655 no O1 O3 H6 61.9 4_655 4_655 4_655 no O1 O3 H6 61.9 4_655 4_655 4_655 no O1 O3 H6 88.8 4_655 4_655 4_655 no O1 O3 H6 88.8 4_655 4_655 4_655 no O2 O3 O4 59.2(2) . . . ? O2 O3 N2 69.99(12) . . . ? O2 O3 N2 70.01(13) . . . ? O2 O3 N2 152.3(3) . . . ? O2 O3 N3 29.6(4) . . . ? O2 O3 C1 52.85(10) . . . ? O2 O3 C1 52.87(10) . . . ? O2 O3 C1 174.8(3) . . . ? O2 O3 C2 89.9(2) . . . ? O2 O3 C2 89.9(2) . . . ? O2 O3 C2 136.5(3) . . . ? O2 O3 C3 91.4(2) . . . ? O2 O3 C3 91.5(2) . . . ? O2 O3 C3 74.4(2) . . . ? O2 O3 C4 73.8(2) . . . ? O2 O3 C4 73.9(2) . . . ? O2 O3 C6 109.4(2) . . . ? O2 O3 C6 109.4(2) . . . ? O2 O3 C6 114.3(2) . . . ? O2 O3 H1 71.4 . . . no O2 O3 H1 71.5 . . . no O2 O3 H1 146.6 . . . no O2 O3 H2 105.2 . . . no O2 O3 H2 105.2 . . . no O2 O3 H2 72.9 . . . no O2 O3 H3 118.0 . . . no O2 O3 H5 121.3 . . . no O2 O3 H5 121.3 . . . no O2 O3 H5 32.4 . . . no O2 O3 H6 109.4 . . . no O2 O3 H6 109.4 . . . no O2 O3 H6 106.1 . . . no O2 O3 H6 106.1 . . . no O4 O3 N2 93.2(1) . . . ? O4 O3 N2 93.2(1) . . . ? O4 O3 N2 93.1(2) . . . ? O4 O3 N3 29.6(4) . . . ? O4 O3 C1 75.0(2) . . . ? O4 O3 C1 75.0(2) . . . ? O4 O3 C1 115.7(3) . . . ? O4 O3 C2 95.7(2) . . . ? O4 O3 C2 95.7(2) . . . ? O4 O3 C2 77.3(2) . . . ? O4 O3 C3 76.1(1) . . . ? O4 O3 C3 76.1(1) . . . ? O4 O3 C3 133.6(3) . . . ? O4 O3 C4 57.17(11) . . . ? O4 O3 C4 57.20(11) . . . ? O4 O3 C6 117.82(11) . . . ? O4 O3 C6 117.84(11) . . . ? O4 O3 C6 55.1(2) . . . ? O4 O3 H1 104.6 . . . no O4 O3 H1 104.7 . . . no O4 O3 H1 87.5 . . . no O4 O3 H2 78.6 . . . no O4 O3 H2 78.6 . . . no O4 O3 H2 132.1 . . . no O4 O3 H3 177.2 . . . no O4 O3 H5 115.5 . . . no O4 O3 H5 115.5 . . . no O4 O3 H5 91.6 . . . no O4 O3 H6 131.5 . . . no O4 O3 H6 131.5 . . . no O4 O3 H6 48.2 . . . no O4 O3 H6 48.2 . . . no N2 O3 N2 128.4(2) . . . ? N2 O3 N2 115.34(11) . . . ? N2 O3 N3 80.5(2) . . . ? N2 O3 C1 20.23(11) . . . ? N2 O3 C1 119.5(2) . . . ? N2 O3 C1 111.41(12) . . . ? N2 O3 C2 22.2(1) . . . ? N2 O3 C2 149.6(3) . . . ? N2 O3 C2 115.68(11) . . . ? N2 O3 C3 39.4(1) . . . ? N2 O3 C3 161.4(2) . . . ? N2 O3 C3 69.46(12) . . . ? N2 O3 C4 43.4(1) . . . ? N2 O3 C4 141.9(2) . . . ? N2 O3 C6 39.70(13) . . . ? N2 O3 C6 144.2(2) . . . ? N2 O3 C6 112.69(12) . . . ? N2 O3 H1 13.4 . . . no N2 O3 H1 119.6 . . . no N2 O3 H1 115.7 . . . no N2 O3 H2 53.0 . . . no N2 O3 H2 171.8 . . . no N2 O3 H2 69.1 . . . no N2 O3 H3 85.6 . . . no N2 O3 H5 51.4 . . . no N2 O3 H5 151.2 . . . no N2 O3 H5 64.3 . . . no N2 O3 H6 44.4 . . . no N2 O3 H6 129.3 . . . no N2 O3 H6 121.2 . . . no N2 O3 H6 100.3 . . . no N2 O3 N2 115.33(11) 1_545 1_545 1_545 ? N2 O3 N3 80.5(2) 1_545 1_545 1_545 ? N2 O3 C1 119.5(2) 1_545 1_545 1_545 ? N2 O3 C1 20.24(11) 1_545 1_545 1_545 ? N2 O3 C1 111.38(12) 1_545 1_545 1_545 ? N2 O3 C2 149.6(3) 1_545 1_545 1_545 ? N2 O3 C2 22.2(1) 1_545 1_545 1_545 ? N2 O3 C2 115.67(11) 1_545 1_545 1_545 ? N2 O3 C3 161.4(2) 1_545 1_545 1_545 ? N2 O3 C3 39.4(1) 1_545 1_545 1_545 ? N2 O3 C3 69.45(12) 1_545 1_545 1_545 ? N2 O3 C4 141.9(2) 1_545 1_545 1_545 ? N2 O3 C4 43.4(1) 1_545 1_545 1_545 ? N2 O3 C6 144.2(2) 1_545 1_545 1_545 ? N2 O3 C6 39.70(13) 1_545 1_545 1_545 ? N2 O3 C6 112.70(12) 1_545 1_545 1_545 ? N2 O3 H1 119.6 1_545 1_545 1_545 no N2 O3 H1 13.4 1_545 1_545 1_545 no N2 O3 H1 115.7 1_545 1_545 1_545 no N2 O3 H2 171.8 1_545 1_545 1_545 no N2 O3 H2 53.0 1_545 1_545 1_545 no N2 O3 H2 69.0 1_545 1_545 1_545 no N2 O3 H3 85.6 1_545 1_545 1_545 no N2 O3 H5 151.2 1_545 1_545 1_545 no N2 O3 H5 51.4 1_545 1_545 1_545 no N2 O3 H5 64.3 1_545 1_545 1_545 no N2 O3 H6 129.3 1_545 1_545 1_545 no N2 O3 H6 44.4 1_545 1_545 1_545 no N2 O3 H6 100.3 1_545 1_545 1_545 no N2 O3 H6 121.2 1_545 1_545 1_545 no N2 O3 N3 122.7(5) 4_655 4_655 4_655 ? N2 O3 C1 124.22(13) 4_655 4_655 4_655 ? N2 O3 C1 124.21(13) 4_655 4_655 4_655 ? N2 O3 C1 22.6(2) 4_655 4_655 4_655 ? N2 O3 C2 93.2(2) 4_655 4_655 4_655 ? N2 O3 C2 93.2(2) 4_655 4_655 4_655 ? N2 O3 C2 15.8(1) 4_655 4_655 4_655 ? N2 O3 C3 80.8(2) 4_655 4_655 4_655 ? N2 O3 C3 80.8(2) 4_655 4_655 4_655 ? N2 O3 C3 133.3(2) 4_655 4_655 4_655 ? N2 O3 C4 91.7(2) 4_655 4_655 4_655 ? N2 O3 C4 91.7(2) 4_655 4_655 4_655 ? N2 O3 C6 82.3(2) 4_655 4_655 4_655 ? N2 O3 C6 82.3(2) 4_655 4_655 4_655 ? N2 O3 C6 38.0(2) 4_655 4_655 4_655 ? N2 O3 H1 120.5 4_655 4_655 4_655 no N2 O3 H1 120.5 4_655 4_655 4_655 no N2 O3 H1 5.7 4_655 4_655 4_655 no N2 O3 H2 65.6 4_655 4_655 4_655 no N2 O3 H2 65.6 4_655 4_655 4_655 no N2 O3 H2 134.8 4_655 4_655 4_655 no N2 O3 H3 89.7 4_655 4_655 4_655 no N2 O3 H5 68.2 4_655 4_655 4_655 no N2 O3 H5 68.2 4_655 4_655 4_655 no N2 O3 H5 175.3 4_655 4_655 4_655 no N2 O3 H6 88.5 4_655 4_655 4_655 no N2 O3 H6 88.5 4_655 4_655 4_655 no N2 O3 H6 46.8 4_655 4_655 4_655 no N2 O3 H6 46.9 4_655 4_655 4_655 no N3 O3 C1 60.3(2) . . . ? N3 O3 C1 60.3(2) . . . ? N3 O3 C1 145.2(5) . . . ? N3 O3 C2 93.2(2) . . . ? N3 O3 C2 93.3(2) . . . ? N3 O3 C2 106.9(4) . . . ? N3 O3 C3 82.9(2) . . . ? N3 O3 C3 82.9(2) . . . ? N3 O3 C3 104.0(4) . . . ? N3 O3 C4 61.9(2) . . . ? N3 O3 C4 61.9(2) . . . ? N3 O3 C6 117.35(13) . . . ? N3 O3 C6 117.37(13) . . . ? N3 O3 C6 84.7(4) . . . ? N3 O3 H1 87.9 . . . no N3 O3 H1 87.9 . . . no N3 O3 H1 117.0 . . . no N3 O3 H2 92.1 . . . no N3 O3 H2 92.1 . . . no N3 O3 H2 102.5 . . . no N3 O3 H3 147.6 . . . no N3 O3 H5 123.1 . . . no N3 O3 H5 123.1 . . . no N3 O3 H5 62.0 . . . no N3 O3 H6 124.9 . . . no N3 O3 H6 124.9 . . . no N3 O3 H6 77.1 . . . no N3 O3 H6 77.1 . . . no C1 O3 C1 105.3(2) . . . ? C1 O3 C1 127.36(10) . . . ? C1 O3 C2 37.1(2) . . . ? C1 O3 C2 141.4(2) . . . ? C1 O3 C2 118.6(1) . . . ? C1 O3 C3 43.4(2) . . . ? C1 O3 C3 142.4(2) . . . ? C1 O3 C3 77.3(2) . . . ? C1 O3 C4 36.1(2) . . . ? C1 O3 C4 121.9(2) . . . ? C1 O3 C6 58.83(12) . . . ? C1 O3 C6 151.4(2) . . . ? C1 O3 C6 107.6(1) . . . ? C1 O3 H1 29.7 . . . no C1 O3 H1 115.3 . . . no C1 O3 H1 122.5 . . . no C1 O3 H2 58.6 . . . no C1 O3 H2 152.1 . . . no C1 O3 H2 76.4 . . . no C1 O3 H3 103.4 . . . no C1 O3 H5 68.9 . . . no C1 O3 H5 164.6 . . . no C1 O3 H5 57.2 . . . no C1 O3 H6 64.6 . . . no C1 O3 H6 139.6 . . . no C1 O3 H6 112.0 . . . no C1 O3 H6 94.2 . . . no C1 O3 C1 127.35(10) 1_545 1_545 1_545 ? C1 O3 C2 141.4(2) 1_545 1_545 1_545 ? C1 O3 C2 37.1(2) 1_545 1_545 1_545 ? C1 O3 C2 118.6(1) 1_545 1_545 1_545 ? C1 O3 C3 142.4(2) 1_545 1_545 1_545 ? C1 O3 C3 43.4(2) 1_545 1_545 1_545 ? C1 O3 C3 77.3(2) 1_545 1_545 1_545 ? C1 O3 C4 121.9(2) 1_545 1_545 1_545 ? C1 O3 C4 36.1(2) 1_545 1_545 1_545 ? C1 O3 C6 151.4(2) 1_545 1_545 1_545 ? C1 O3 C6 58.83(12) 1_545 1_545 1_545 ? C1 O3 C6 107.6(1) 1_545 1_545 1_545 ? C1 O3 H1 115.3 1_545 1_545 1_545 no C1 O3 H1 29.7 1_545 1_545 1_545 no C1 O3 H1 122.5 1_545 1_545 1_545 no C1 O3 H2 152.1 1_545 1_545 1_545 no C1 O3 H2 58.6 1_545 1_545 1_545 no C1 O3 H2 76.4 1_545 1_545 1_545 no C1 O3 H3 103.4 1_545 1_545 1_545 no C1 O3 H5 164.6 1_545 1_545 1_545 no C1 O3 H5 68.9 1_545 1_545 1_545 no C1 O3 H5 57.2 1_545 1_545 1_545 no C1 O3 H6 139.6 1_545 1_545 1_545 no C1 O3 H6 64.6 1_545 1_545 1_545 no C1 O3 H6 94.2 1_545 1_545 1_545 no C1 O3 H6 112.0 1_545 1_545 1_545 no C1 O3 C2 90.7(2) 4_655 4_655 4_655 ? C1 O3 C2 90.7(2) 4_655 4_655 4_655 ? C1 O3 C2 38.4(2) 4_655 4_655 4_655 ? C1 O3 C3 87.1(2) 4_655 4_655 4_655 ? C1 O3 C3 87.0(2) 4_655 4_655 4_655 ? C1 O3 C3 110.7(2) 4_655 4_655 4_655 ? C1 O3 C4 103.6(2) 4_655 4_655 4_655 ? C1 O3 C4 103.6(2) 4_655 4_655 4_655 ? C1 O3 C6 72.5(1) 4_655 4_655 4_655 ? C1 O3 C6 72.5(1) 4_655 4_655 4_655 ? C1 O3 C6 60.6(2) 4_655 4_655 4_655 ? C1 O3 H1 111.1 4_655 4_655 4_655 no C1 O3 H1 111.1 4_655 4_655 4_655 no C1 O3 H1 28.2 4_655 4_655 4_655 no C1 O3 H2 72.8 4_655 4_655 4_655 no C1 O3 H2 72.7 4_655 4_655 4_655 no C1 O3 H2 112.2 4_655 4_655 4_655 no C1 O3 H3 67.1 4_655 4_655 4_655 no C1 O3 H5 60.0 4_655 4_655 4_655 no C1 O3 H5 60.0 4_655 4_655 4_655 no C1 O3 H5 152.7 4_655 4_655 4_655 no C1 O3 H6 73.8 4_655 4_655 4_655 no C1 O3 H6 73.8 4_655 4_655 4_655 no C1 O3 H6 68.8 4_655 4_655 4_655 no C1 O3 H6 68.8 4_655 4_655 4_655 no C2 O3 C2 166.6(3) . . . ? C2 O3 C2 94.7(2) . . . ? C2 O3 C3 23.9(2) . . . ? C2 O3 C3 169.5(3) . . . ? C2 O3 C3 83.5(2) . . . ? C2 O3 C4 38.7(2) . . . ? C2 O3 C4 152.7(2) . . . ? C2 O3 C6 24.28(13) . . . ? C2 O3 C6 146.3(2) . . . ? C2 O3 C6 96.2(2) . . . ? C2 O3 H1 29.9 . . . no C2 O3 H1 138.8 . . . no C2 O3 H1 93.8 . . . no C2 O3 H2 33.7 . . . no C2 O3 H2 157.4 . . . no C2 O3 H2 83.6 . . . no C2 O3 H3 84.1 . . . no C2 O3 H5 31.9 . . . no C2 O3 H5 143.7 . . . no C2 O3 H5 86.3 . . . no C2 O3 H6 35.9 . . . no C2 O3 H6 132.6 . . . no C2 O3 H6 107.4 . . . no C2 O3 H6 85.6 . . . no C2 O3 C2 94.7(2) 1_545 1_545 1_545 ? C2 O3 C3 169.5(3) 1_545 1_545 1_545 ? C2 O3 C3 23.9(2) 1_545 1_545 1_545 ? C2 O3 C3 83.5(2) 1_545 1_545 1_545 ? C2 O3 C4 152.7(2) 1_545 1_545 1_545 ? C2 O3 C4 38.7(2) 1_545 1_545 1_545 ? C2 O3 C6 146.3(2) 1_545 1_545 1_545 ? C2 O3 C6 24.27(13) 1_545 1_545 1_545 ? C2 O3 C6 96.2(2) 1_545 1_545 1_545 ? C2 O3 H1 138.8 1_545 1_545 1_545 no C2 O3 H1 29.9 1_545 1_545 1_545 no C2 O3 H1 93.8 1_545 1_545 1_545 no C2 O3 H2 157.4 1_545 1_545 1_545 no C2 O3 H2 33.7 1_545 1_545 1_545 no C2 O3 H2 83.5 1_545 1_545 1_545 no C2 O3 H3 84.1 1_545 1_545 1_545 no C2 O3 H5 143.7 1_545 1_545 1_545 no C2 O3 H5 31.9 1_545 1_545 1_545 no C2 O3 H5 86.3 1_545 1_545 1_545 no C2 O3 H6 132.6 1_545 1_545 1_545 no C2 O3 H6 35.9 1_545 1_545 1_545 no C2 O3 H6 85.6 1_545 1_545 1_545 no C2 O3 H6 107.4 1_545 1_545 1_545 no C2 O3 C3 77.2(2) 4_655 4_655 4_655 ? C2 O3 C3 77.2(2) 4_655 4_655 4_655 ? C2 O3 C3 149.1(2) 4_655 4_655 4_655 ? C2 O3 C4 83.2(2) 4_655 4_655 4_655 ? C2 O3 C4 83.2(2) 4_655 4_655 4_655 ? C2 O3 C6 89.8(2) 4_655 4_655 4_655 ? C2 O3 C6 89.8(2) 4_655 4_655 4_655 ? C2 O3 C6 22.22(12) 4_655 4_655 4_655 ? C2 O3 H1 124.4 4_655 4_655 4_655 no C2 O3 H1 124.3 4_655 4_655 4_655 no C2 O3 H1 10.1 4_655 4_655 4_655 no C2 O3 H2 62.8 4_655 4_655 4_655 no C2 O3 H2 62.8 4_655 4_655 4_655 no C2 O3 H2 150.6 4_655 4_655 4_655 no C2 O3 H3 105.5 4_655 4_655 4_655 no C2 O3 H5 75.8 4_655 4_655 4_655 no C2 O3 H5 75.8 4_655 4_655 4_655 no C2 O3 H5 168.9 4_655 4_655 4_655 no C2 O3 H6 98.9 4_655 4_655 4_655 no C2 O3 H6 98.9 4_655 4_655 4_655 no C2 O3 H6 31.8 4_655 4_655 4_655 no C2 O3 H6 31.8 4_655 4_655 4_655 no C3 O3 C3 145.6(3) . . . ? C3 O3 C3 106.9(2) . . . ? C3 O3 C4 21.11(13) . . . ? C3 O3 C4 132.3(2) . . . ? C3 O3 C6 41.8(2) . . . ? C3 O3 C6 158.7(2) . . . ? C3 O3 C6 73.8(2) . . . ? C3 O3 H1 51.1 . . . no C3 O3 H1 158.3 . . . no C3 O3 H1 79.4 . . . no C3 O3 H2 15.2 . . . no C3 O3 H2 136.3 . . . no C3 O3 H2 106.8 . . . no C3 O3 H3 104.4 . . . no C3 O3 H5 41.2 . . . no C3 O3 H5 147.0 . . . no C3 O3 H5 100.3 . . . no C3 O3 H6 56.3 . . . no C3 O3 H6 151.2 . . . no C3 O3 H6 84.0 . . . no C3 O3 H6 62.3 . . . no C3 O3 C3 106.9(2) 1_545 1_545 1_545 ? C3 O3 C4 132.3(2) 1_545 1_545 1_545 ? C3 O3 C4 21.12(13) 1_545 1_545 1_545 ? C3 O3 C6 158.7(2) 1_545 1_545 1_545 ? C3 O3 C6 41.8(2) 1_545 1_545 1_545 ? C3 O3 C6 73.8(2) 1_545 1_545 1_545 ? C3 O3 H1 158.3 1_545 1_545 1_545 no C3 O3 H1 51.1 1_545 1_545 1_545 no C3 O3 H1 79.4 1_545 1_545 1_545 no C3 O3 H2 136.3 1_545 1_545 1_545 no C3 O3 H2 15.2 1_545 1_545 1_545 no C3 O3 H2 106.8 1_545 1_545 1_545 no C3 O3 H3 104.4 1_545 1_545 1_545 no C3 O3 H5 147.0 1_545 1_545 1_545 no C3 O3 H5 41.2 1_545 1_545 1_545 no C3 O3 H5 100.3 1_545 1_545 1_545 no C3 O3 H6 151.1 1_545 1_545 1_545 no C3 O3 H6 56.3 1_545 1_545 1_545 no C3 O3 H6 62.3 1_545 1_545 1_545 no C3 O3 H6 84.0 1_545 1_545 1_545 no C3 O3 C4 111.9(2) 4_654 4_654 4_654 ? C3 O3 C4 111.9(2) 4_654 4_654 4_654 ? C3 O3 C6 75.9(2) 4_654 4_654 4_654 ? C3 O3 C6 75.9(2) 4_654 4_654 4_654 ? C3 O3 C6 171.3(2) 4_654 4_654 4_654 ? C3 O3 H1 56.5 4_654 4_654 4_654 no C3 O3 H1 56.5 4_654 4_654 4_654 no C3 O3 H1 139.0 4_654 4_654 4_654 no C3 O3 H2 116.4 4_654 4_654 4_654 no C3 O3 H2 116.4 4_654 4_654 4_654 no C3 O3 H2 1.5 4_654 4_654 4_654 no C3 O3 H3 43.6 4_654 4_654 4_654 no C3 O3 H5 87.4 4_654 4_654 4_654 no C3 O3 H5 87.4 4_654 4_654 4_654 no C3 O3 H5 42.0 4_654 4_654 4_654 no C3 O3 H6 62.4 4_654 4_654 4_654 no C3 O3 H6 62.4 4_654 4_654 4_654 no C3 O3 H6 169.1 4_654 4_654 4_654 no C3 O3 H6 169.1 4_654 4_654 4_654 no C4 O3 C4 114.4(2) . . . ? C4 O3 C6 61.02(12) . . . ? C4 O3 C6 172.2(2) . . . ? C4 O3 C6 72.0(2) . . . ? C4 O3 H1 56.8 . . . no C4 O3 H1 145.3 . . . no C4 O3 H1 88.6 . . . no C4 O3 H2 31.8 . . . no C4 O3 H2 129.4 . . . no C4 O3 H2 111.3 . . . no C4 O3 H3 122.8 . . . no C4 O3 H5 62.2 . . . no C4 O3 H5 159.0 . . . no C4 O3 H5 90.8 . . . no C4 O3 H6 74.3 . . . no C4 O3 H6 171.3 . . . no C4 O3 H6 78.3 . . . no C4 O3 H6 58.7 . . . no C4 O3 C6 172.2(2) 1_545 1_545 1_545 ? C4 O3 C6 61.02(12) 1_545 1_545 1_545 ? C4 O3 C6 72.0(2) 1_545 1_545 1_545 ? C4 O3 H1 145.3 1_545 1_545 1_545 no C4 O3 H1 56.8 1_545 1_545 1_545 no C4 O3 H1 88.6 1_545 1_545 1_545 no C4 O3 H2 129.4 1_545 1_545 1_545 no C4 O3 H2 31.8 1_545 1_545 1_545 no C4 O3 H2 111.3 1_545 1_545 1_545 no C4 O3 H3 122.8 1_545 1_545 1_545 no C4 O3 H5 159.0 1_545 1_545 1_545 no C4 O3 H5 62.2 1_545 1_545 1_545 no C4 O3 H5 90.9 1_545 1_545 1_545 no C4 O3 H6 171.3 1_545 1_545 1_545 no C4 O3 H6 74.3 1_545 1_545 1_545 no C4 O3 H6 58.7 1_545 1_545 1_545 no C4 O3 H6 78.3 1_545 1_545 1_545 no C6 O3 C6 122.7(2) . . . ? C6 O3 C6 100.3(2) . . . ? C6 O3 H1 39.0 . . . no C6 O3 H1 130.8 . . . no C6 O3 H1 85.0 . . . no C6 O3 H2 43.2 . . . no C6 O3 H2 145.3 . . . no C6 O3 H2 76.6 . . . no C6 O3 H3 62.6 . . . no C6 O3 H5 14.1 . . . no C6 O3 H5 119.5 . . . no C6 O3 H5 95.5 . . . no C6 O3 H6 15.1 . . . no C6 O3 H6 110.4 . . . no C6 O3 H6 113.5 . . . no C6 O3 H6 93.8 . . . no C6 O3 C6 100.3(2) 1_545 1_545 1_545 ? C6 O3 H1 130.8 1_545 1_545 1_545 no C6 O3 H1 39.0 1_545 1_545 1_545 no C6 O3 H1 85.0 1_545 1_545 1_545 no C6 O3 H2 145.3 1_545 1_545 1_545 no C6 O3 H2 43.2 1_545 1_545 1_545 no C6 O3 H2 76.6 1_545 1_545 1_545 no C6 O3 H3 62.5 1_545 1_545 1_545 no C6 O3 H5 119.5 1_545 1_545 1_545 no C6 O3 H5 14.1 1_545 1_545 1_545 no C6 O3 H5 95.5 1_545 1_545 1_545 no C6 O3 H6 110.4 1_545 1_545 1_545 no C6 O3 H6 15.1 1_545 1_545 1_545 no C6 O3 H6 93.8 1_545 1_545 1_545 no C6 O3 H6 113.5 1_545 1_545 1_545 no C6 O3 H1 124.9 4_655 4_655 4_655 no C6 O3 H1 124.9 4_655 4_655 4_655 no C6 O3 H1 32.3 4_655 4_655 4_655 no C6 O3 H2 62.5 4_655 4_655 4_655 no C6 O3 H2 62.5 4_655 4_655 4_655 no C6 O3 H2 172.8 4_655 4_655 4_655 no C6 O3 H3 127.7 4_655 4_655 4_655 no C6 O3 H5 87.8 4_655 4_655 4_655 no C6 O3 H5 87.8 4_655 4_655 4_655 no C6 O3 H5 146.7 4_655 4_655 4_655 no C6 O3 H6 112.8 4_655 4_655 4_655 no C6 O3 H6 112.8 4_655 4_655 4_655 no C6 O3 H6 13.4 4_655 4_655 4_655 no C6 O3 H6 13.4 4_655 4_655 4_655 no H1 O3 H1 109.2 . . . no H1 O3 H1 122.2 . . . no H1 O3 H2 63.3 . . . no H1 O3 H2 172.5 . . . no H1 O3 H2 56.2 . . . no H1 O3 H3 73.9 . . . no H1 O3 H5 52.7 . . . no H1 O3 H5 138.7 . . . no H1 O3 H5 58.1 . . . no H1 O3 H6 38.5 . . . no H1 O3 H6 116.0 . . . no H1 O3 H6 134.3 . . . no H1 O3 H6 113.0 . . . no H1 O3 H1 122.1 1_545 1_545 1_545 no H1 O3 H2 172.5 1_545 1_545 1_545 no H1 O3 H2 63.3 1_545 1_545 1_545 no H1 O3 H2 56.2 1_545 1_545 1_545 no H1 O3 H3 73.8 1_545 1_545 1_545 no H1 O3 H5 138.7 1_545 1_545 1_545 no H1 O3 H5 52.7 1_545 1_545 1_545 no H1 O3 H5 58.1 1_545 1_545 1_545 no H1 O3 H6 115.9 1_545 1_545 1_545 no H1 O3 H6 38.5 1_545 1_545 1_545 no H1 O3 H6 113.0 1_545 1_545 1_545 no H1 O3 H6 134.3 1_545 1_545 1_545 no H1 O3 H2 64.4 4_655 4_655 4_655 no H1 O3 H2 64.4 4_655 4_655 4_655 no H1 O3 H2 140.5 4_655 4_655 4_655 no H1 O3 H3 95.3 4_655 4_655 4_655 no H1 O3 H5 70.8 4_655 4_655 4_655 no H1 O3 H5 70.8 4_655 4_655 4_655 no H1 O3 H5 179.0 4_655 4_655 4_655 no H1 O3 H6 92.2 4_655 4_655 4_655 no H1 O3 H6 92.2 4_655 4_655 4_655 no H1 O3 H6 41.4 4_655 4_655 4_655 no H1 O3 H6 41.4 4_655 4_655 4_655 no H2 O3 H2 124.1 . . . no H2 O3 H2 116.6 . . . no H2 O3 H3 102.6 . . . no H2 O3 H5 37.0 . . . no H2 O3 H5 132.4 . . . no H2 O3 H5 115.4 . . . no H2 O3 H6 58.3 . . . no H2 O3 H6 142.8 . . . no H2 O3 H6 74.3 . . . no H2 O3 H6 52.8 . . . no H2 O3 H2 116.6 1_545 1_545 1_545 no H2 O3 H3 102.6 1_545 1_545 1_545 no H2 O3 H5 132.3 1_545 1_545 1_545 no H2 O3 H5 37.0 1_545 1_545 1_545 no H2 O3 H5 115.5 1_545 1_545 1_545 no H2 O3 H6 142.8 1_545 1_545 1_545 no H2 O3 H6 58.2 1_545 1_545 1_545 no H2 O3 H6 52.8 1_545 1_545 1_545 no H2 O3 H6 74.3 1_545 1_545 1_545 no H2 O3 H3 45.1 4_654 4_654 4_654 no H2 O3 H5 88.3 4_654 4_654 4_654 no H2 O3 H5 88.3 4_654 4_654 4_654 no H2 O3 H5 40.5 4_654 4_654 4_654 no H2 O3 H6 63.2 4_654 4_654 4_654 no H2 O3 H6 63.2 4_654 4_654 4_654 no H2 O3 H6 169.1 4_654 4_654 4_654 no H2 O3 H6 169.1 4_654 4_654 4_654 no H3 O3 H5 65.6 4_654 4_654 4_654 no H3 O3 H5 65.6 4_654 4_654 4_654 no H3 O3 H5 85.6 4_654 4_654 4_654 no H3 O3 H6 48.5 4_654 4_654 4_654 no H3 O3 H6 48.5 4_654 4_654 4_654 no H3 O3 H6 134.5 4_654 4_654 4_654 no H3 O3 H6 134.5 4_654 4_654 4_654 no H5 O3 H5 112.8 . . . no H5 O3 H5 109.6 . . . no H5 O3 H6 25.1 . . . no H5 O3 H6 110.0 . . . no H5 O3 H6 101.1 . . . no H5 O3 H6 83.0 . . . no H5 O3 H5 109.6 1_545 1_545 1_545 no H5 O3 H6 110.0 1_545 1_545 1_545 no H5 O3 H6 25.1 1_545 1_545 1_545 no H5 O3 H6 83.0 1_545 1_545 1_545 no H5 O3 H6 101.2 1_545 1_545 1_545 no H5 O3 H6 88.4 4_654 4_654 4_654 no H5 O3 H6 88.4 4_654 4_654 4_654 no H5 O3 H6 137.7 4_654 4_654 4_654 no H5 O3 H6 137.7 4_654 4_654 4_654 no H6 O3 H6 97.0 . . . no H6 O3 H6 126.1 . . . no H6 O3 H6 107.9 . . . no H6 O3 H6 107.9 7_545 7_545 7_545 no H6 O3 H6 126.1 7_545 7_545 7_545 no H6 O3 H6 21.8 6_645 6_645 6_645 no CL1 O4 O2 151.7(3) 3_647 3_647 3_647 ? CL1 O4 O3 148.3(3) 3_647 3_647 3_647 ? CL1 O4 N1 102.19(13) 3_647 3_647 3_647 ? CL1 O4 N1 102.21(13) 3_647 3_647 3_647 ? CL1 O4 N2 97.8(2) 3_647 3_647 3_647 ? CL1 O4 N3 178.8(5) 3_647 3_647 3_647 ? CL1 O4 C2 78.0(2) 3_647 3_647 3_647 ? CL1 O4 C3 104.2(2) 3_647 3_647 3_647 ? CL1 O4 C3 104.2(2) 3_647 3_647 3_647 ? CL1 O4 C4 91.7(2) 3_647 3_647 3_647 ? CL1 O4 C4 91.7(2) 3_647 3_647 3_647 ? CL1 O4 C5 66.6(1) 3_647 3_647 3_647 ? CL1 O4 C5 66.6(1) 3_647 3_647 3_647 ? CL1 O4 C6 56.9(2) 3_647 3_647 3_647 ? CL1 O4 C7 89.9(2) 3_647 3_647 3_647 ? CL1 O4 C7 90.0(2) 3_647 3_647 3_647 ? CL1 O4 C8 84.5(2) 3_647 3_647 3_647 ? CL1 O4 C8 84.5(2) 3_647 3_647 3_647 ? CL1 O4 H1 105.9 3_647 3_647 3_647 no CL1 O4 H2 96.5 3_647 3_647 3_647 no CL1 O4 H2 96.5 3_647 3_647 3_647 no CL1 O4 H3 63.6 3_647 3_647 3_647 no CL1 O4 H3 63.6 3_647 3_647 3_647 no CL1 O4 H4 54.8 3_647 3_647 3_647 no CL1 O4 H4 54.8 3_647 3_647 3_647 no CL1 O4 H5 48.6 3_647 3_647 3_647 no CL1 O4 H6 55.4 3_647 3_647 3_647 no CL1 O4 H6 55.4 3_647 3_647 3_647 no CL1 O4 H7 87.4 3_647 3_647 3_647 no CL1 O4 H7 87.4 3_647 3_647 3_647 no O2 O4 O3 60.0(3) . . . ? O2 O4 N1 69.96(13) . . . ? O2 O4 N1 69.95(13) . . . ? O2 O4 N2 110.5(3) . . . ? O2 O4 N3 29.5(4) . . . ? O2 O4 C2 130.3(3) . . . ? O2 O4 C3 87.0(2) . . . ? O2 O4 C3 87.0(2) . . . ? O2 O4 C4 89.0(2) . . . ? O2 O4 C4 89.0(2) . . . ? O2 O4 C5 111.4(2) . . . ? O2 O4 C5 111.4(2) . . . ? O2 O4 C6 151.4(3) . . . ? O2 O4 C7 73.5(2) . . . ? O2 O4 C7 73.5(2) . . . ? O2 O4 C8 72.2(2) . . . ? O2 O4 C8 72.2(2) . . . ? O2 O4 H1 102.4 . . . no O2 O4 H2 99.0 . . . no O2 O4 H2 99.0 . . . no O2 O4 H3 121.5 . . . no O2 O4 H3 121.5 . . . no O2 O4 H4 117.0 . . . no O2 O4 H4 117.0 . . . no O2 O4 H5 159.7 . . . no O2 O4 H6 150.6 . . . no O2 O4 H6 150.6 . . . no O2 O4 H7 67.1 . . . no O2 O4 H7 67.1 . . . no O3 O4 N1 89.6(2) . . . ? O3 O4 N1 89.6(2) . . . ? O3 O4 N2 50.5(2) . . . ? O3 O4 N3 30.5(4) . . . ? O3 O4 C2 70.3(2) . . . ? O3 O4 C3 67.14(13) . . . ? O3 O4 C3 67.12(13) . . . ? O3 O4 C4 88.0(2) . . . ? O3 O4 C4 88.0(2) . . . ? O3 O4 C5 108.8(2) . . . ? O3 O4 C5 108.7(2) . . . ? O3 O4 C6 91.5(2) . . . ? O3 O4 C7 108.5(2) . . . ? O3 O4 C7 108.5(2) . . . ? O3 O4 C8 120.9(2) . . . ? O3 O4 C8 120.9(2) . . . ? O3 O4 H1 42.5 . . . no O3 O4 H2 67.7 . . . no O3 O4 H2 67.7 . . . no O3 O4 H3 103.5 . . . no O3 O4 H3 103.5 . . . no O3 O4 H4 123.3 . . . no O3 O4 H4 123.3 . . . no O3 O4 H5 99.8 . . . no O3 O4 H6 94.1 . . . no O3 O4 H6 94.1 . . . no O3 O4 H7 120.9 . . . no O3 O4 H7 120.9 . . . no N1 O4 N1 133.8(2) . . . ? N1 O4 N2 107.39(12) . . . ? N1 O4 N3 78.2(2) . . . ? N1 O4 C2 111.54(12) . . . ? N1 O4 C3 39.45(13) . . . ? N1 O4 C3 153.6(2) . . . ? N1 O4 C4 23.1(2) . . . ? N1 O4 C4 156.8(3) . . . ? N1 O4 C5 41.5(1) . . . ? N1 O4 C5 159.7(2) . . . ? N1 O4 C6 113.10(12) . . . ? N1 O4 C7 21.05(10) . . . ? N1 O4 C7 122.4(2) . . . ? N1 O4 C8 39.89(12) . . . ? N1 O4 C8 105.3(2) . . . ? N1 O4 H1 105.1 . . . no N1 O4 H2 52.2 . . . no N1 O4 H2 157.2 . . . no N1 O4 H3 53.2 . . . no N1 O4 H3 165.7 . . . no N1 O4 H4 48.7 . . . no N1 O4 H4 146.1 . . . no N1 O4 H5 112.8 . . . no N1 O4 H6 127.7 . . . no N1 O4 H6 98.4 . . . no N1 O4 H7 47.3 . . . no N1 O4 H7 95.7 . . . no N1 O4 N2 107.36(12) 1_545 1_545 1_545 ? N1 O4 N3 78.2(2) 1_545 1_545 1_545 ? N1 O4 C2 111.52(12) 1_545 1_545 1_545 ? N1 O4 C3 153.6(2) 1_545 1_545 1_545 ? N1 O4 C3 39.44(13) 1_545 1_545 1_545 ? N1 O4 C4 156.8(3) 1_545 1_545 1_545 ? N1 O4 C4 23.1(2) 1_545 1_545 1_545 ? N1 O4 C5 159.7(2) 1_545 1_545 1_545 ? N1 O4 C5 41.5(1) 1_545 1_545 1_545 ? N1 O4 C6 113.09(12) 1_545 1_545 1_545 ? N1 O4 C7 122.4(2) 1_545 1_545 1_545 ? N1 O4 C7 21.06(10) 1_545 1_545 1_545 ? N1 O4 C8 105.3(2) 1_545 1_545 1_545 ? N1 O4 C8 39.91(12) 1_545 1_545 1_545 ? N1 O4 H1 105.1 1_545 1_545 1_545 no N1 O4 H2 157.2 1_545 1_545 1_545 no N1 O4 H2 52.2 1_545 1_545 1_545 no N1 O4 H3 165.7 1_545 1_545 1_545 no N1 O4 H3 53.2 1_545 1_545 1_545 no N1 O4 H4 146.1 1_545 1_545 1_545 no N1 O4 H4 48.7 1_545 1_545 1_545 no N1 O4 H5 112.8 1_545 1_545 1_545 no N1 O4 H6 98.4 1_545 1_545 1_545 no N1 O4 H6 127.7 1_545 1_545 1_545 no N1 O4 H7 95.7 1_545 1_545 1_545 no N1 O4 H7 47.3 1_545 1_545 1_545 no N2 O4 N3 81.0(4) 4_655 4_655 4_655 ? N2 O4 C2 19.76(12) 4_655 4_655 4_655 ? N2 O4 C3 68.07(12) 4_655 4_655 4_655 ? N2 O4 C3 68.05(12) 4_655 4_655 4_655 ? N2 O4 C4 88.8(2) 4_655 4_655 4_655 ? N2 O4 C4 88.7(2) 4_655 4_655 4_655 ? N2 O4 C5 91.3(2) 4_655 4_655 4_655 ? N2 O4 C5 91.3(2) 4_655 4_655 4_655 ? N2 O4 C6 40.9(2) 4_655 4_655 4_655 ? N2 O4 C7 126.63(10) 4_655 4_655 4_655 ? N2 O4 C7 126.61(10) 4_655 4_655 4_655 ? N2 O4 C8 145.90(10) 4_655 4_655 4_655 ? N2 O4 C8 145.89(10) 4_655 4_655 4_655 ? N2 O4 H1 8.1 4_655 4_655 4_655 no N2 O4 H2 56.6 4_655 4_655 4_655 no N2 O4 H2 56.6 4_655 4_655 4_655 no N2 O4 H3 77.7 4_655 4_655 4_655 no N2 O4 H3 77.7 4_655 4_655 4_655 no N2 O4 H4 100.9 4_655 4_655 4_655 no N2 O4 H4 100.9 4_655 4_655 4_655 no N2 O4 H5 49.2 4_655 4_655 4_655 no N2 O4 H6 45.6 4_655 4_655 4_655 no N2 O4 H6 45.6 4_655 4_655 4_655 no N2 O4 H7 154.6 4_655 4_655 4_655 no N2 O4 H7 154.6 4_655 4_655 4_655 no N3 O4 C2 100.8(4) . . . ? N3 O4 C3 75.4(2) . . . ? N3 O4 C3 75.4(2) . . . ? N3 O4 C4 88.3(2) . . . ? N3 O4 C4 88.3(2) . . . ? N3 O4 C5 113.4(1) . . . ? N3 O4 C5 113.4(1) . . . ? N3 O4 C6 122.0(5) . . . ? N3 O4 C7 90.8(3) . . . ? N3 O4 C7 90.7(3) . . . ? N3 O4 C8 96.5(4) . . . ? N3 O4 C8 96.4(4) . . . ? N3 O4 H1 73.0 . . . no N3 O4 H2 82.9 . . . no N3 O4 H2 82.9 . . . no N3 O4 H3 116.0 . . . no N3 O4 H3 116.0 . . . no N3 O4 H4 125.3 . . . no N3 O4 H4 125.3 . . . no N3 O4 H5 130.3 . . . no N3 O4 H6 123.5 . . . no N3 O4 H6 123.5 . . . no N3 O4 H7 93.7 . . . no N3 O4 H7 93.7 . . . no C2 O4 C3 73.43(13) 4_655 4_655 4_655 ? C2 O4 C3 73.41(13) 4_655 4_655 4_655 ? C2 O4 C4 89.4(2) 4_655 4_655 4_655 ? C2 O4 C4 89.3(2) 4_655 4_655 4_655 ? C2 O4 C5 83.5(2) 4_655 4_655 4_655 ? C2 O4 C5 83.5(2) 4_655 4_655 4_655 ? C2 O4 C6 21.1(2) 4_655 4_655 4_655 ? C2 O4 C7 126.08(12) 4_655 4_655 4_655 ? C2 O4 C7 126.06(12) 4_655 4_655 4_655 ? C2 O4 C8 141.7(2) 4_655 4_655 4_655 ? C2 O4 C8 141.7(2) 4_655 4_655 4_655 ? C2 O4 H1 27.8 4_655 4_655 4_655 no C2 O4 H2 59.7 4_655 4_655 4_655 no C2 O4 H2 59.7 4_655 4_655 4_655 no C2 O4 H3 68.8 4_655 4_655 4_655 no C2 O4 H3 68.8 4_655 4_655 4_655 no C2 O4 H4 89.4 4_655 4_655 4_655 no C2 O4 H4 89.4 4_655 4_655 4_655 no C2 O4 H5 29.4 4_655 4_655 4_655 no C2 O4 H6 27.8 4_655 4_655 4_655 no C2 O4 H6 27.8 4_655 4_655 4_655 no C2 O4 H7 151.2 4_655 4_655 4_655 no C2 O4 H7 151.2 4_655 4_655 4_655 no C3 O4 C3 130.1(2) . . . ? C3 O4 C4 23.1(2) . . . ? C3 O4 C4 153.2(3) . . . ? C3 O4 C5 41.8(2) . . . ? C3 O4 C5 156.6(2) . . . ? C3 O4 C6 81.1(2) . . . ? C3 O4 C7 58.87(12) . . . ? C3 O4 C7 158.6(2) . . . ? C3 O4 C8 78.33(13) . . . ? C3 O4 C8 144.5(2) . . . ? C3 O4 H1 66.6 . . . no C3 O4 H2 14.2 . . . no C3 O4 H2 122.9 . . . no C3 O4 H3 40.7 . . . no C3 O4 H3 141.9 . . . no C3 O4 H4 56.3 . . . no C3 O4 H4 156.0 . . . no C3 O4 H5 84.5 . . . no C3 O4 H6 95.7 . . . no C3 O4 H6 68.9 . . . no C3 O4 H7 86.5 . . . no C3 O4 H7 134.9 . . . no C3 O4 C4 153.2(3) 1_545 1_545 1_545 ? C3 O4 C4 23.1(2) 1_545 1_545 1_545 ? C3 O4 C5 156.6(2) 1_545 1_545 1_545 ? C3 O4 C5 41.8(2) 1_545 1_545 1_545 ? C3 O4 C6 81.1(2) 1_545 1_545 1_545 ? C3 O4 C7 158.6(2) 1_545 1_545 1_545 ? C3 O4 C7 58.88(12) 1_545 1_545 1_545 ? C3 O4 C8 144.5(2) 1_545 1_545 1_545 ? C3 O4 C8 78.34(13) 1_545 1_545 1_545 ? C3 O4 H1 66.6 1_545 1_545 1_545 no C3 O4 H2 122.9 1_545 1_545 1_545 no C3 O4 H2 14.2 1_545 1_545 1_545 no C3 O4 H3 141.9 1_545 1_545 1_545 no C3 O4 H3 40.7 1_545 1_545 1_545 no C3 O4 H4 156.0 1_545 1_545 1_545 no C3 O4 H4 56.3 1_545 1_545 1_545 no C3 O4 H5 84.5 1_545 1_545 1_545 no C3 O4 H6 68.9 1_545 1_545 1_545 no C3 O4 H6 95.7 1_545 1_545 1_545 no C3 O4 H7 134.9 1_545 1_545 1_545 no C3 O4 H7 86.5 1_545 1_545 1_545 no C4 O4 C4 176.0(4) . . . ? C4 O4 C5 25.1(2) . . . ? C4 O4 C5 158.1(3) . . . ? C4 O4 C6 90.1(2) . . . ? C4 O4 C7 38.1(2) . . . ? C4 O4 C7 144.0(2) . . . ? C4 O4 C8 57.1(2) . . . ? C4 O4 C8 125.3(2) . . . ? C4 O4 H1 88.5 . . . no C4 O4 H2 32.2 . . . no C4 O4 H2 145.1 . . . no C4 O4 H3 32.5 . . . no C4 O4 H3 149.3 . . . no C4 O4 H4 37.8 . . . no C4 O4 H4 146.0 . . . no C4 O4 H5 90.4 . . . no C4 O4 H6 104.8 . . . no C4 O4 H6 75.5 . . . no C4 O4 H7 66.1 . . . no C4 O4 H7 116.1 . . . no C4 O4 C5 158.1(3) 1_545 1_545 1_545 ? C4 O4 C5 25.1(2) 1_545 1_545 1_545 ? C4 O4 C6 90.1(2) 1_545 1_545 1_545 ? C4 O4 C7 144.0(2) 1_545 1_545 1_545 ? C4 O4 C7 38.1(2) 1_545 1_545 1_545 ? C4 O4 C8 125.3(2) 1_545 1_545 1_545 ? C4 O4 C8 57.2(2) 1_545 1_545 1_545 ? C4 O4 H1 88.5 1_545 1_545 1_545 no C4 O4 H2 145.1 1_545 1_545 1_545 no C4 O4 H2 32.2 1_545 1_545 1_545 no C4 O4 H3 149.3 1_545 1_545 1_545 no C4 O4 H3 32.5 1_545 1_545 1_545 no C4 O4 H4 146.0 1_545 1_545 1_545 no C4 O4 H4 37.8 1_545 1_545 1_545 no C4 O4 H5 90.4 1_545 1_545 1_545 no C4 O4 H6 75.5 1_545 1_545 1_545 no C4 O4 H6 104.8 1_545 1_545 1_545 no C4 O4 H7 116.1 1_545 1_545 1_545 no C4 O4 H7 66.1 1_545 1_545 1_545 no C5 O4 C5 133.0(3) . . . ? C5 O4 C6 75.9(2) . . . ? C5 O4 C7 44.5(2) . . . ? C5 O4 C7 138.7(2) . . . ? C5 O4 C8 58.2(2) . . . ? C5 O4 C8 120.1(2) . . . ? C5 O4 H1 94.5 . . . no C5 O4 H2 42.5 . . . no C5 O4 H2 142.4 . . . no C5 O4 H3 14.7 . . . no C5 O4 H3 126.6 . . . no C5 O4 H4 14.5 . . . no C5 O4 H4 121.2 . . . no C5 O4 H5 73.4 . . . no C5 O4 H6 89.0 . . . no C5 O4 H6 61.2 . . . no C5 O4 H7 67.8 . . . no C5 O4 H7 113.4 . . . no C5 O4 C6 75.9(2) 1_545 1_545 1_545 ? C5 O4 C7 138.7(2) 1_545 1_545 1_545 ? C5 O4 C7 44.5(2) 1_545 1_545 1_545 ? C5 O4 C8 120.1(2) 1_545 1_545 1_545 ? C5 O4 C8 58.3(2) 1_545 1_545 1_545 ? C5 O4 H1 94.5 1_545 1_545 1_545 no C5 O4 H2 142.4 1_545 1_545 1_545 no C5 O4 H2 42.5 1_545 1_545 1_545 no C5 O4 H3 126.6 1_545 1_545 1_545 no C5 O4 H3 14.7 1_545 1_545 1_545 no C5 O4 H4 121.2 1_545 1_545 1_545 no C5 O4 H4 14.5 1_545 1_545 1_545 no C5 O4 H5 73.4 1_545 1_545 1_545 no C5 O4 H6 61.2 1_545 1_545 1_545 no C5 O4 H6 89.0 1_545 1_545 1_545 no C5 O4 H7 113.5 1_545 1_545 1_545 no C5 O4 H7 67.8 1_545 1_545 1_545 no C6 O4 C7 120.3(2) 4_655 4_655 4_655 ? C6 O4 C7 120.2(2) 4_655 4_655 4_655 ? C6 O4 C8 129.5(2) 4_655 4_655 4_655 ? C6 O4 C8 129.6(2) 4_655 4_655 4_655 ? C6 O4 H1 49.0 4_655 4_655 4_655 no C6 O4 H2 67.0 4_655 4_655 4_655 no C6 O4 H2 67.0 4_655 4_655 4_655 no C6 O4 H3 61.8 4_655 4_655 4_655 no C6 O4 H3 61.7 4_655 4_655 4_655 no C6 O4 H4 77.2 4_655 4_655 4_655 no C6 O4 H4 77.2 4_655 4_655 4_655 no C6 O4 H5 8.3 4_655 4_655 4_655 no C6 O4 H6 14.9 4_655 4_655 4_655 no C6 O4 H6 14.9 4_655 4_655 4_655 no C6 O4 H7 137.1 4_655 4_655 4_655 no C6 O4 H7 137.1 4_655 4_655 4_655 no C7 O4 C7 106.0(2) . . . ? C7 O4 C8 19.46(10) . . . ? C7 O4 C8 87.3(2) . . . ? C7 O4 H1 125.4 . . . no C7 O4 H2 70.1 . . . no C7 O4 H2 172.4 . . . no C7 O4 H3 59.0 . . . no C7 O4 H3 147.8 . . . no C7 O4 H4 44.4 . . . no C7 O4 H4 125.4 . . . no C7 O4 H5 116.8 . . . no C7 O4 H6 132.3 . . . no C7 O4 H6 105.6 . . . no C7 O4 H7 28.1 . . . no C7 O4 H7 78.0 . . . no C7 O4 C8 87.3(2) 1_545 1_545 1_545 ? C7 O4 C8 19.47(10) 1_545 1_545 1_545 ? C7 O4 H1 125.4 1_545 1_545 1_545 no C7 O4 H2 172.4 1_545 1_545 1_545 no C7 O4 H2 70.1 1_545 1_545 1_545 no C7 O4 H3 147.8 1_545 1_545 1_545 no C7 O4 H3 59.0 1_545 1_545 1_545 no C7 O4 H4 125.4 1_545 1_545 1_545 no C7 O4 H4 44.4 1_545 1_545 1_545 no C7 O4 H5 116.8 1_545 1_545 1_545 no C7 O4 H6 105.6 1_545 1_545 1_545 no C7 O4 H6 132.3 1_545 1_545 1_545 no C7 O4 H7 78.0 1_545 1_545 1_545 no C7 O4 H7 28.1 1_545 1_545 1_545 no C8 O4 C8 68.2(2) . . . ? C8 O4 H1 144.8 . . . no C8 O4 H2 89.3 . . . no C8 O4 H2 157.3 . . . no C8 O4 H3 72.9 . . . no C8 O4 H3 131.4 . . . no C8 O4 H4 53.1 . . . no C8 O4 H4 107.9 . . . no C8 O4 H5 123.6 . . . no C8 O4 H6 137.1 . . . no C8 O4 H6 116.7 . . . no C8 O4 H7 9.6 . . . no C8 O4 H7 59.2 . . . no C8 O4 H1 144.8 7_545 7_545 7_545 no C8 O4 H2 157.3 7_545 7_545 7_545 no C8 O4 H2 89.3 7_545 7_545 7_545 no C8 O4 H3 131.4 7_545 7_545 7_545 no C8 O4 H3 72.9 7_545 7_545 7_545 no C8 O4 H4 107.9 7_545 7_545 7_545 no C8 O4 H4 53.1 7_545 7_545 7_545 no C8 O4 H5 123.6 7_545 7_545 7_545 no C8 O4 H6 116.7 7_545 7_545 7_545 no C8 O4 H6 137.1 7_545 7_545 7_545 no C8 O4 H7 59.2 7_545 7_545 7_545 no C8 O4 H7 9.6 7_545 7_545 7_545 no H1 O4 H2 56.6 4_655 4_655 4_655 no H1 O4 H2 56.6 4_655 4_655 4_655 no H1 O4 H3 81.8 4_655 4_655 4_655 no H1 O4 H3 81.7 4_655 4_655 4_655 no H1 O4 H4 105.3 4_655 4_655 4_655 no H1 O4 H4 105.3 4_655 4_655 4_655 no H1 O4 H5 57.3 4_655 4_655 4_655 no H1 O4 H6 53.2 4_655 4_655 4_655 no H1 O4 H6 53.2 4_655 4_655 4_655 no H1 O4 H7 152.0 4_655 4_655 4_655 no H1 O4 H7 152.0 4_655 4_655 4_655 no H2 O4 H2 113.0 . . . no H2 O4 H3 36.0 . . . no H2 O4 H3 127.8 . . . no H2 O4 H4 56.6 . . . no H2 O4 H4 143.2 . . . no H2 O4 H5 70.7 . . . no H2 O4 H6 81.5 . . . no H2 O4 H6 55.2 . . . no H2 O4 H7 98.1 . . . no H2 O4 H7 147.8 . . . no H2 O4 H3 127.8 1_545 1_545 1_545 no H2 O4 H3 36.0 1_545 1_545 1_545 no H2 O4 H4 143.2 1_545 1_545 1_545 no H2 O4 H4 56.6 1_545 1_545 1_545 no H2 O4 H5 70.7 1_545 1_545 1_545 no H2 O4 H6 55.2 1_545 1_545 1_545 no H2 O4 H6 81.5 1_545 1_545 1_545 no H2 O4 H7 147.9 1_545 1_545 1_545 no H2 O4 H7 98.2 1_545 1_545 1_545 no H3 O4 H3 117.0 . . . no H3 O4 H4 23.7 . . . no H3 O4 H4 117.7 . . . no H3 O4 H5 60.0 . . . no H3 O4 H6 75.4 . . . no H3 O4 H6 46.9 . . . no H3 O4 H7 82.4 . . . no H3 O4 H7 126.1 . . . no H3 O4 H4 117.7 1_545 1_545 1_545 no H3 O4 H4 23.7 1_545 1_545 1_545 no H3 O4 H5 60.0 1_545 1_545 1_545 no H3 O4 H6 46.9 1_545 1_545 1_545 no H3 O4 H6 75.4 1_545 1_545 1_545 no H3 O4 H7 126.1 1_545 1_545 1_545 no H3 O4 H7 82.5 1_545 1_545 1_545 no H4 O4 H4 108.2 . . . no H4 O4 H5 72.7 . . . no H4 O4 H6 88.0 . . . no H4 O4 H6 63.6 . . . no H4 O4 H7 62.0 . . . no H4 O4 H7 102.4 . . . no H4 O4 H5 72.7 7_545 7_545 7_545 no H4 O4 H6 63.6 7_545 7_545 7_545 no H4 O4 H6 88.0 7_545 7_545 7_545 no H4 O4 H7 102.4 7_545 7_545 7_545 no H4 O4 H7 62.0 7_545 7_545 7_545 no H5 O4 H6 15.6 4_655 4_655 4_655 no H5 O4 H6 15.6 4_655 4_655 4_655 no H5 O4 H7 130.4 4_655 4_655 4_655 no H5 O4 H7 130.4 4_655 4_655 4_655 no H6 O4 H6 29.3 6_645 6_645 6_645 no H6 O4 H7 142.2 6_645 6_645 6_645 no H6 O4 H7 125.2 6_645 6_645 6_645 no H6 O4 H7 125.2 4_655 4_655 4_655 no H6 O4 H7 142.2 4_655 4_655 4_655 no H7 O4 H7 50.0 . . . no O1 N1 O2 74.57(13) . . . ? O1 N1 O2 74.57(13) . . . ? O1 N1 O4 110.69(13) . . . ? O1 N1 O4 110.69(13) . . . ? O1 N1 N2 59.2(2) . . . ? O1 N1 N3 93.1(2) . . . ? O1 N1 N3 93.1(2) . . . ? O1 N1 C1 26.1(3) . . . ? O1 N1 C2 88.5(3) . . . ? O1 N1 C3 118.5(3) . . . ? O1 N1 C4 149.5(5) . . . ? O1 N1 C5 179.1(3) . . . ? O1 N1 C7 88.7(5) . . . ? O1 N1 C8 89.0(3) . . . ? O1 N1 C8 89.0(3) . . . ? O1 N1 C9 89.0(2) . . . ? O1 N1 C9 89.0(2) . . . ? O1 N1 H1 51.0 . . . no O1 N1 H2 127.0 . . . no O1 N1 H3 169.4 . . . no O1 N1 H4 158.8 . . . no O1 N1 H4 158.8 . . . no O1 N1 H7 89.9 . . . no O1 N1 H7 89.9 . . . no O2 N1 O2 140.3(2) . . . ? O2 N1 O4 36.17(12) . . . ? O2 N1 O4 157.4(2) . . . ? O2 N1 N2 71.48(12) . . . ? O2 N1 N3 20.54(11) . . . ? O2 N1 N3 144.2(2) . . . ? O2 N1 C1 70.63(12) . . . ? O2 N1 C2 77.42(13) . . . ? O2 N1 C3 86.6(1) . . . ? O2 N1 C4 97.0(2) . . . ? O2 N1 C5 105.6(1) . . . ? O2 N1 C7 101.8(2) . . . ? O2 N1 C8 74.3(2) . . . ? O2 N1 C8 129.2(2) . . . ? O2 N1 C9 84.4(2) . . . ? O2 N1 C9 119.3(2) . . . ? O2 N1 H1 70.6 . . . no O2 N1 H2 89.5 . . . no O2 N1 H3 102.9 . . . no O2 N1 H4 91.5 . . . no O2 N1 H4 124.3 . . . no O2 N1 H7 53.8 . . . no O2 N1 H7 149.1 . . . no O2 N1 O4 157.4(2) 1_565 1_565 1_565 ? O2 N1 O4 36.18(12) 1_565 1_565 1_565 ? O2 N1 N2 71.50(12) 1_565 1_565 1_565 ? O2 N1 N3 144.2(2) 1_565 1_565 1_565 ? O2 N1 N3 20.54(11) 1_565 1_565 1_565 ? O2 N1 C1 70.64(12) 1_565 1_565 1_565 ? O2 N1 C2 77.45(13) 1_565 1_565 1_565 ? O2 N1 C3 86.7(1) 1_565 1_565 1_565 ? O2 N1 C4 97.0(2) 1_565 1_565 1_565 ? O2 N1 C5 105.6(1) 1_565 1_565 1_565 ? O2 N1 C7 101.8(2) 1_565 1_565 1_565 ? O2 N1 C8 129.2(2) 1_565 1_565 1_565 ? O2 N1 C8 74.2(2) 1_565 1_565 1_565 ? O2 N1 C9 119.3(2) 1_565 1_565 1_565 ? O2 N1 C9 84.3(2) 1_565 1_565 1_565 ? O2 N1 H1 70.7 1_565 1_565 1_565 no O2 N1 H2 89.5 1_565 1_565 1_565 no O2 N1 H3 102.9 1_565 1_565 1_565 no O2 N1 H4 124.3 1_565 1_565 1_565 no O2 N1 H4 91.5 1_565 1_565 1_565 no O2 N1 H7 149.1 1_565 1_565 1_565 no O2 N1 H7 53.8 1_565 1_565 1_565 no O4 N1 O4 133.8(2) . . . ? O4 N1 N2 92.0(1) . . . ? O4 N1 N3 20.60(11) . . . ? O4 N1 N3 140.6(2) . . . ? O4 N1 C1 104.0(2) . . . ? O4 N1 C2 80.7(1) . . . ? O4 N1 C3 71.42(13) . . . ? O4 N1 C4 66.98(12) . . . ? O4 N1 C5 69.49(13) . . . ? O4 N1 C7 100.3(2) . . . ? O4 N1 C8 73.4(2) . . . ? O4 N1 C8 126.7(2) . . . ? O4 N1 C9 83.2(1) . . . ? O4 N1 C9 117.1(2) . . . ? O4 N1 H1 95.1 . . . no O4 N1 H2 69.6 . . . no O4 N1 H3 67.8 . . . no O4 N1 H4 56.3 . . . no O4 N1 H4 88.4 . . . no O4 N1 H7 53.2 . . . no O4 N1 H7 144.9 . . . no O4 N1 N2 92.0(1) 1_565 1_565 1_565 ? O4 N1 N3 140.6(2) 1_565 1_565 1_565 ? O4 N1 N3 20.60(11) 1_565 1_565 1_565 ? O4 N1 C1 104.0(2) 1_565 1_565 1_565 ? O4 N1 C2 80.7(1) 1_565 1_565 1_565 ? O4 N1 C3 71.45(13) 1_565 1_565 1_565 ? O4 N1 C4 67.00(12) 1_565 1_565 1_565 ? O4 N1 C5 69.49(13) 1_565 1_565 1_565 ? O4 N1 C7 100.3(2) 1_565 1_565 1_565 ? O4 N1 C8 126.7(2) 1_565 1_565 1_565 ? O4 N1 C8 73.3(2) 1_565 1_565 1_565 ? O4 N1 C9 117.1(2) 1_565 1_565 1_565 ? O4 N1 C9 83.2(1) 1_565 1_565 1_565 ? O4 N1 H1 95.2 1_565 1_565 1_565 no O4 N1 H2 69.6 1_565 1_565 1_565 no O4 N1 H3 67.8 1_565 1_565 1_565 no O4 N1 H4 88.3 1_565 1_565 1_565 no O4 N1 H4 56.3 1_565 1_565 1_565 no O4 N1 H7 144.9 1_565 1_565 1_565 no O4 N1 H7 53.2 1_565 1_565 1_565 no N2 N1 N3 73.3(1) . . . ? N2 N1 N3 73.3(1) . . . ? N2 N1 C1 33.1(4) . . . ? N2 N1 C2 29.4(2) . . . ? N2 N1 C3 59.4(2) . . . ? N2 N1 C4 90.4(4) . . . ? N2 N1 C5 121.8(3) . . . ? N2 N1 C7 147.9(5) . . . ? N2 N1 C8 138.1(3) . . . ? N2 N1 C8 138.1(3) . . . ? N2 N1 C9 143.7(3) . . . ? N2 N1 C9 143.7(3) . . . ? N2 N1 H1 8.1 . . . no N2 N1 H2 67.8 . . . no N2 N1 H3 110.2 . . . no N2 N1 H4 131.8 . . . no N2 N1 H4 131.8 . . . no N2 N1 H7 123.1 . . . no N2 N1 H7 123.1 . . . no N3 N1 N3 136.5(3) . . . ? N3 N1 C1 83.6(2) . . . ? N3 N1 C2 68.56(12) . . . ? N3 N1 C3 69.61(13) . . . ? N3 N1 C4 76.5(2) . . . ? N3 N1 C5 87.2(2) . . . ? N3 N1 C7 111.60(12) . . . ? N3 N1 C8 82.9(2) . . . ? N3 N1 C8 140.2(2) . . . ? N3 N1 C9 93.4(2) . . . ? N3 N1 C9 129.8(2) . . . ? N3 N1 H1 75.5 . . . no N3 N1 H2 71.0 . . . no N3 N1 H3 83.0 . . . no N3 N1 H4 76.4 . . . no N3 N1 H4 107.2 . . . no N3 N1 H7 61.2 . . . no N3 N1 H7 161.7 . . . no N3 N1 C1 83.6(2) 1_565 1_565 1_565 ? N3 N1 C2 68.59(12) 1_565 1_565 1_565 ? N3 N1 C3 69.63(13) 1_565 1_565 1_565 ? N3 N1 C4 76.5(2) 1_565 1_565 1_565 ? N3 N1 C5 87.2(2) 1_565 1_565 1_565 ? N3 N1 C7 111.57(12) 1_565 1_565 1_565 ? N3 N1 C8 140.2(2) 1_565 1_565 1_565 ? N3 N1 C8 82.9(2) 1_565 1_565 1_565 ? N3 N1 C9 129.7(2) 1_565 1_565 1_565 ? N3 N1 C9 93.4(2) 1_565 1_565 1_565 ? N3 N1 H1 75.5 1_565 1_565 1_565 no N3 N1 H2 71.0 1_565 1_565 1_565 no N3 N1 H3 83.0 1_565 1_565 1_565 no N3 N1 H4 107.2 1_565 1_565 1_565 no N3 N1 H4 76.4 1_565 1_565 1_565 no N3 N1 H7 161.7 1_565 1_565 1_565 no N3 N1 H7 61.2 1_565 1_565 1_565 no C1 N1 C2 62.5(4) . . . ? C1 N1 C3 92.5(4) . . . ? C1 N1 C4 123.5(6) . . . ? C1 N1 C5 154.9(5) . . . ? C1 N1 C7 114.7(6) . . . ? C1 N1 C8 111.7(4) . . . ? C1 N1 C8 111.7(4) . . . ? C1 N1 C9 113.6(4) . . . ? C1 N1 C9 113.6(4) . . . ? C1 N1 H1 25.0 . . . no C1 N1 H2 100.9 . . . no C1 N1 H3 143.3 . . . no C1 N1 H4 159.1 . . . no C1 N1 H4 159.2 . . . no C1 N1 H7 106.2 . . . no C1 N1 H7 106.2 . . . no C2 N1 C3 30.0(2) . . . ? C2 N1 C4 61.0(4) . . . ? C2 N1 C5 92.4(3) . . . ? C2 N1 C7 177.2(5) . . . ? C2 N1 C8 151.2(1) . . . ? C2 N1 C8 151.2(1) . . . ? C2 N1 C9 161.62(11) . . . ? C2 N1 C9 161.63(11) . . . ? C2 N1 H1 37.5 . . . no C2 N1 H2 38.4 . . . no C2 N1 H3 80.8 . . . no C2 N1 H4 104.1 . . . no C2 N1 H4 104.1 . . . no C2 N1 H7 129.6 . . . no C2 N1 H7 129.6 . . . no C3 N1 C4 31.0(4) . . . ? C3 N1 C5 62.4(3) . . . ? C3 N1 C7 152.8(6) . . . ? C3 N1 C8 141.1(3) . . . ? C3 N1 C8 141.1(3) . . . ? C3 N1 C9 147.5(3) . . . ? C3 N1 C9 147.5(3) . . . ? C3 N1 H1 67.5 . . . no C3 N1 H2 8.5 . . . no C3 N1 H3 50.9 . . . no C3 N1 H4 75.4 . . . no C3 N1 H4 75.4 . . . no C3 N1 H7 124.1 . . . no C3 N1 H7 124.2 . . . no C4 N1 C5 31.4(4) . . . ? C4 N1 C7 121.8(6) . . . ? C4 N1 C8 117.3(4) . . . ? C4 N1 C8 117.3(4) . . . ? C4 N1 C9 119.8(4) . . . ? C4 N1 C9 119.8(4) . . . ? C4 N1 H1 98.5 . . . no C4 N1 H2 22.6 . . . no C4 N1 H3 19.9 . . . no C4 N1 H4 46.2 . . . no C4 N1 H4 46.2 . . . no C4 N1 H7 109.0 . . . no C4 N1 H7 109.0 . . . no C5 N1 C7 90.4(5) . . . ? C5 N1 C8 90.1(3) . . . ? C5 N1 C8 90.1(3) . . . ? C5 N1 C9 90.1(3) . . . ? C5 N1 C9 90.1(3) . . . ? C5 N1 H1 129.9 . . . no C5 N1 H2 54.0 . . . no C5 N1 H3 11.5 . . . no C5 N1 H4 20.6 . . . no C5 N1 H4 20.6 . . . no C5 N1 H7 89.5 . . . no C5 N1 H7 89.5 . . . no C7 N1 C8 28.7(1) . . . ? C7 N1 C8 28.7(1) . . . ? C7 N1 C9 18.21(10) . . . ? C7 N1 C9 18.20(10) . . . ? C7 N1 H1 139.7 . . . no C7 N1 H2 144.3 . . . no C7 N1 H3 101.9 . . . no C7 N1 H4 78.5 . . . no C7 N1 H4 78.5 . . . no C7 N1 H7 50.4 . . . no C7 N1 H7 50.4 . . . no C8 N1 C8 57.4(3) . . . ? C8 N1 C9 10.5(2) . . . ? C8 N1 C9 46.9(2) . . . ? C8 N1 H1 132.2 . . . no C8 N1 H2 135.3 . . . no C8 N1 H3 100.2 . . . no C8 N1 H4 71.6 . . . no C8 N1 H4 87.7 . . . no C8 N1 H7 21.7 . . . no C8 N1 H7 79.1 . . . no C8 N1 C9 46.9(2) 7 7 7 ? C8 N1 C9 10.5(2) 7 7 7 ? C8 N1 H1 132.2 7 7 7 no C8 N1 H2 135.3 7 7 7 no C8 N1 H3 100.2 7 7 7 no C8 N1 H4 87.7 7 7 7 no C8 N1 H4 71.6 7 7 7 no C8 N1 H7 79.1 7 7 7 no C8 N1 H7 21.7 7 7 7 no C9 N1 C9 36.4(2) . . . ? C9 N1 H1 136.6 . . . no C9 N1 H2 140.3 . . . no C9 N1 H3 101.1 . . . no C9 N1 H4 73.6 . . . no C9 N1 H4 84.1 . . . no C9 N1 H7 32.2 . . . no C9 N1 H7 68.6 . . . no C9 N1 H1 136.6 7 7 7 no C9 N1 H2 140.3 7 7 7 no C9 N1 H3 101.1 7 7 7 no C9 N1 H4 84.1 7 7 7 no C9 N1 H4 73.6 7 7 7 no C9 N1 H7 68.6 7 7 7 no C9 N1 H7 32.2 7 7 7 no H1 N1 H2 75.9 . . . no H1 N1 H3 118.4 . . . no H1 N1 H4 139.3 . . . no H1 N1 H4 139.3 . . . no H1 N1 H7 119.6 . . . no H1 N1 H7 119.7 . . . no H2 N1 H3 42.4 . . . no H2 N1 H4 67.4 . . . no H2 N1 H4 67.4 . . . no H2 N1 H7 120.7 . . . no H2 N1 H7 120.7 . . . no H3 N1 H4 28.8 . . . no H3 N1 H4 28.8 . . . no H3 N1 H7 96.9 . . . no H3 N1 H7 96.9 . . . no H4 N1 H4 33.2 . . . no H4 N1 H7 69.0 . . . no H4 N1 H7 94.7 . . . no H4 N1 H7 94.7 7 7 7 no H4 N1 H7 69.0 7 7 7 no H7 N1 H7 100.7 . . . no O1 N2 O2 73.26(13) . . . ? O1 N2 O2 73.23(13) . . . ? O1 N2 O3 108.90(12) . . . ? O1 N2 O3 108.87(13) . . . ? O1 N2 O3 80.2(2) . . . ? O1 N2 O4 116.5(2) . . . ? O1 N2 N1 59.5(2) . . . ? O1 N2 N3 90.1(2) . . . ? O1 N2 N3 90.0(2) . . . ? O1 N2 N3 97.1(2) . . . ? O1 N2 C1 26.8(4) . . . ? O1 N2 C2 150.7(5) . . . ? O1 N2 C3 120.0(3) . . . ? O1 N2 C3 96.1(2) . . . ? O1 N2 C3 96.1(2) . . . ? O1 N2 C4 89.5(3) . . . ? O1 N2 C6 176.6(3) . . . ? O1 N2 C7 47.3(2) . . . ? O1 N2 H1 91.7 . . . no O1 N2 H2 128.8 . . . no O1 N2 H2 99.1 . . . no O1 N2 H2 99.0 . . . no O1 N2 H5 172.3 . . . no O1 N2 H5 62.1 . . . no O1 N2 H5 62.1 . . . no O1 N2 H6 156.0 . . . no O1 N2 H6 156.0 . . . no O2 N2 O2 134.5(2) . . . ? O2 N2 O3 35.72(11) . . . ? O2 N2 O3 148.1(2) . . . ? O2 N2 O3 101.8(1) . . . ? O2 N2 O4 111.03(11) . . . ? O2 N2 N1 68.42(11) . . . ? O2 N2 N3 19.91(11) . . . ? O2 N2 N3 135.4(2) . . . ? O2 N2 N3 106.92(12) . . . ? O2 N2 C1 68.10(12) . . . ? O2 N2 C2 97.2(2) . . . ? O2 N2 C3 85.5(1) . . . ? O2 N2 C3 56.78(11) . . . ? O2 N2 C3 156.5(2) . . . ? O2 N2 C4 74.96(12) . . . ? O2 N2 C6 107.6(1) . . . ? O2 N2 C7 67.39(11) . . . ? O2 N2 H1 105.4 . . . no O2 N2 H2 88.9 . . . no O2 N2 H2 47.3 . . . no O2 N2 H2 168.4 . . . no O2 N2 H5 104.5 . . . no O2 N2 H5 34.0 . . . no O2 N2 H5 135.2 . . . no O2 N2 H6 96.2 . . . no O2 N2 H6 125.5 . . . no O2 N2 O3 148.1(2) 1_565 1_565 1_565 ? O2 N2 O3 35.71(11) 1_565 1_565 1_565 ? O2 N2 O3 101.8(1) 1_565 1_565 1_565 ? O2 N2 O4 111.05(11) 1_565 1_565 1_565 ? O2 N2 N1 68.40(11) 1_565 1_565 1_565 ? O2 N2 N3 135.4(2) 1_565 1_565 1_565 ? O2 N2 N3 19.91(11) 1_565 1_565 1_565 ? O2 N2 N3 106.93(12) 1_565 1_565 1_565 ? O2 N2 C1 68.07(12) 1_565 1_565 1_565 ? O2 N2 C2 97.2(2) 1_565 1_565 1_565 ? O2 N2 C3 85.5(1) 1_565 1_565 1_565 ? O2 N2 C3 156.5(2) 1_565 1_565 1_565 ? O2 N2 C3 56.78(11) 1_565 1_565 1_565 ? O2 N2 C4 74.94(12) 1_565 1_565 1_565 ? O2 N2 C6 107.6(1) 1_565 1_565 1_565 ? O2 N2 C7 67.37(11) 1_565 1_565 1_565 ? O2 N2 H1 105.4 1_565 1_565 1_565 no O2 N2 H2 88.9 1_565 1_565 1_565 no O2 N2 H2 168.4 1_565 1_565 1_565 no O2 N2 H2 47.3 1_565 1_565 1_565 no O2 N2 H5 104.6 1_565 1_565 1_565 no O2 N2 H5 135.2 1_565 1_565 1_565 no O2 N2 H5 34.0 1_565 1_565 1_565 no O2 N2 H6 125.5 1_565 1_565 1_565 no O2 N2 H6 96.2 1_565 1_565 1_565 no O3 N2 O3 128.4(2) . . . ? O3 N2 O3 109.98(10) . . . ? O3 N2 O4 96.63(12) . . . ? O3 N2 N1 85.0(1) . . . ? O3 N2 N3 20.60(10) . . . ? O3 N2 N3 132.6(2) . . . ? O3 N2 N3 104.38(12) . . . ? O3 N2 C1 99.1(2) . . . ? O3 N2 C2 64.87(12) . . . ? O3 N2 C3 65.56(12) . . . ? O3 N2 C3 54.85(12) . . . ? O3 N2 C3 148.7(2) . . . ? O3 N2 C4 73.26(13) . . . ? O3 N2 C6 72.16(13) . . . ? O3 N2 C7 90.34(13) . . . ? O3 N2 H1 106.3 . . . no O3 N2 H2 64.6 . . . no O3 N2 H2 42.2 . . . no O3 N2 H2 151.3 . . . no O3 N2 H5 68.9 . . . no O3 N2 H5 59.0 . . . no O3 N2 H5 170.9 . . . no O3 N2 H6 64.2 . . . no O3 N2 H6 91.5 . . . no O3 N2 O3 109.99(10) 1_565 1_565 1_565 ? O3 N2 O4 96.65(12) 1_565 1_565 1_565 ? O3 N2 N1 85.0(1) 1_565 1_565 1_565 ? O3 N2 N3 132.6(2) 1_565 1_565 1_565 ? O3 N2 N3 20.60(10) 1_565 1_565 1_565 ? O3 N2 N3 104.39(12) 1_565 1_565 1_565 ? O3 N2 C1 99.1(2) 1_565 1_565 1_565 ? O3 N2 C2 64.88(12) 1_565 1_565 1_565 ? O3 N2 C3 65.55(12) 1_565 1_565 1_565 ? O3 N2 C3 148.7(2) 1_565 1_565 1_565 ? O3 N2 C3 54.85(12) 1_565 1_565 1_565 ? O3 N2 C4 73.24(13) 1_565 1_565 1_565 ? O3 N2 C6 72.19(13) 1_565 1_565 1_565 ? O3 N2 C7 90.31(13) 1_565 1_565 1_565 ? O3 N2 H1 106.3 1_565 1_565 1_565 no O3 N2 H2 64.6 1_565 1_565 1_565 no O3 N2 H2 151.3 1_565 1_565 1_565 no O3 N2 H2 42.2 1_565 1_565 1_565 no O3 N2 H5 68.9 1_565 1_565 1_565 no O3 N2 H5 170.9 1_565 1_565 1_565 no O3 N2 H5 59.0 1_565 1_565 1_565 no O3 N2 H6 91.5 1_565 1_565 1_565 no O3 N2 H6 64.3 1_565 1_565 1_565 no O3 N2 O4 36.33(13) 4_654 4_654 4_654 ? O3 N2 N1 139.7(3) 4_654 4_654 4_654 ? O3 N2 N3 116.00(13) 4_654 4_654 4_654 ? O3 N2 N3 116.01(13) 4_654 4_654 4_654 ? O3 N2 N3 16.93(13) 4_654 4_654 4_654 ? O3 N2 C1 106.9(5) 4_654 4_654 4_654 ? O3 N2 C2 129.1(4) 4_654 4_654 4_654 ? O3 N2 C3 159.8(3) 4_654 4_654 4_654 ? O3 N2 C3 55.16(10) 4_654 4_654 4_654 ? O3 N2 C3 55.17(10) 4_654 4_654 4_654 ? O3 N2 C4 169.7(3) 4_654 4_654 4_654 ? O3 N2 C6 96.4(2) 4_654 4_654 4_654 ? O3 N2 C7 127.5(2) 4_654 4_654 4_654 ? O3 N2 H1 11.5 4_654 4_654 4_654 no O3 N2 H2 151.0 4_654 4_654 4_654 no O3 N2 H2 67.9 4_654 4_654 4_654 no O3 N2 H2 67.9 4_654 4_654 4_654 no O3 N2 H5 107.5 4_654 4_654 4_654 no O3 N2 H5 68.4 4_654 4_654 4_654 no O3 N2 H5 68.4 4_654 4_654 4_654 no O3 N2 H6 81.1 4_654 4_654 4_654 no O3 N2 H6 81.1 4_654 4_654 4_654 no O4 N2 N1 176.1(3) 4_654 4_654 4_654 ? O4 N2 N3 113.41(11) 4_654 4_654 4_654 ? O4 N2 N3 113.44(11) 4_654 4_654 4_654 ? O4 N2 N3 19.40(11) 4_654 4_654 4_654 ? O4 N2 C1 143.3(5) 4_654 4_654 4_654 ? O4 N2 C2 92.8(4) 4_654 4_654 4_654 ? O4 N2 C3 123.4(3) 4_654 4_654 4_654 ? O4 N2 C3 54.34(9) 4_654 4_654 4_654 ? O4 N2 C3 54.36(9) 4_654 4_654 4_654 ? O4 N2 C4 153.9(3) 4_654 4_654 4_654 ? O4 N2 C6 60.1(2) 4_654 4_654 4_654 ? O4 N2 C7 163.8(2) 4_654 4_654 4_654 ? O4 N2 H1 24.8 4_654 4_654 4_654 no O4 N2 H2 114.7 4_654 4_654 4_654 no O4 N2 H2 64.1 4_654 4_654 4_654 no O4 N2 H2 64.1 4_654 4_654 4_654 no O4 N2 H5 71.2 4_654 4_654 4_654 no O4 N2 H5 87.0 4_654 4_654 4_654 no O4 N2 H5 87.0 4_654 4_654 4_654 no O4 N2 H6 46.3 4_654 4_654 4_654 no O4 N2 H6 46.3 4_654 4_654 4_654 no N1 N2 N3 67.50(12) . . . ? N1 N2 N3 67.48(12) . . . ? N1 N2 N3 156.7(3) . . . ? N1 N2 C1 32.8(4) . . . ? N1 N2 C2 91.2(4) . . . ? N1 N2 C3 60.5(2) . . . ? N1 N2 C3 124.73(11) . . . ? N1 N2 C3 124.71(11) . . . ? N1 N2 C4 30.0(2) . . . ? N1 N2 C6 123.8(3) . . . ? N1 N2 C7 12.2(2) . . . ? N1 N2 H1 151.3 . . . no N1 N2 H2 69.3 . . . no N1 N2 H2 115.6 . . . no N1 N2 H2 115.6 . . . no N1 N2 H5 112.8 . . . no N1 N2 H5 90.8 . . . no N1 N2 H5 90.8 . . . no N1 N2 H6 137.3 . . . no N1 N2 H6 137.3 . . . no N3 N2 N3 127.2(2) . . . ? N3 N2 N3 116.18(11) . . . ? N3 N2 C1 78.5(2) . . . ? N3 N2 C2 77.4(2) . . . ? N3 N2 C3 67.3(1) . . . ? N3 N2 C3 63.55(12) . . . ? N3 N2 C3 167.8(2) . . . ? N3 N2 C4 63.60(12) . . . ? N3 N2 C6 91.4(2) . . . ? N3 N2 C7 70.97(13) . . . ? N3 N2 H1 116.4 . . . no N3 N2 H2 69.7 . . . no N3 N2 H2 51.4 . . . no N3 N2 H2 170.7 . . . no N3 N2 H5 86.5 . . . no N3 N2 H5 51.9 . . . no N3 N2 H5 151.3 . . . no N3 N2 H6 84.8 . . . no N3 N2 H6 111.6 . . . no N3 N2 N3 116.19(11) 1_565 1_565 1_565 ? N3 N2 C1 78.5(2) 1_565 1_565 1_565 ? N3 N2 C2 77.4(2) 1_565 1_565 1_565 ? N3 N2 C3 67.3(1) 1_565 1_565 1_565 ? N3 N2 C3 167.8(2) 1_565 1_565 1_565 ? N3 N2 C3 63.55(12) 1_565 1_565 1_565 ? N3 N2 C4 63.58(12) 1_565 1_565 1_565 ? N3 N2 C6 91.4(2) 1_565 1_565 1_565 ? N3 N2 C7 70.94(13) 1_565 1_565 1_565 ? N3 N2 H1 116.4 1_565 1_565 1_565 no N3 N2 H2 69.7 1_565 1_565 1_565 no N3 N2 H2 170.7 1_565 1_565 1_565 no N3 N2 H2 51.5 1_565 1_565 1_565 no N3 N2 H5 86.5 1_565 1_565 1_565 no N3 N2 H5 151.3 1_565 1_565 1_565 no N3 N2 H5 51.9 1_565 1_565 1_565 no N3 N2 H6 111.6 1_565 1_565 1_565 no N3 N2 H6 84.9 1_565 1_565 1_565 no N3 N2 C1 123.9(5) 4_654 4_654 4_654 ? N3 N2 C2 112.2(4) 4_654 4_654 4_654 ? N3 N2 C3 142.8(3) 4_654 4_654 4_654 ? N3 N2 C3 52.64(9) 4_654 4_654 4_654 ? N3 N2 C3 52.65(9) 4_654 4_654 4_654 ? N3 N2 C4 173.3(3) 4_654 4_654 4_654 ? N3 N2 C6 79.5(2) 4_654 4_654 4_654 ? N3 N2 C7 144.4(2) 4_654 4_654 4_654 ? N3 N2 H1 5.4 4_654 4_654 4_654 no N3 N2 H2 134.1 4_654 4_654 4_654 no N3 N2 H2 64.8 4_654 4_654 4_654 no N3 N2 H2 64.8 4_654 4_654 4_654 no N3 N2 H5 90.6 4_654 4_654 4_654 no N3 N2 H5 76.6 4_654 4_654 4_654 no N3 N2 H5 76.6 4_654 4_654 4_654 no N3 N2 H6 64.8 4_654 4_654 4_654 no N3 N2 H6 64.8 4_654 4_654 4_654 no C1 N2 C2 123.9(6) . . . ? C1 N2 C3 93.3(5) . . . ? C1 N2 C3 111.4(2) . . . ? C1 N2 C3 111.4(2) . . . ? C1 N2 C4 62.8(4) . . . ? C1 N2 C6 156.6(5) . . . ? C1 N2 C7 20.6(4) . . . ? C1 N2 H1 118.5 . . . no C1 N2 H2 102.1 . . . no C1 N2 H2 109.0 . . . no C1 N2 H2 108.9 . . . no C1 N2 H5 145.6 . . . no C1 N2 H5 73.4 . . . no C1 N2 H5 73.3 . . . no C1 N2 H6 163.3 . . . no C1 N2 H6 163.3 . . . no C2 N2 C3 30.7(3) . . . ? C2 N2 C3 101.5(2) . . . ? C2 N2 C3 101.5(2) . . . ? C2 N2 C4 61.2(4) . . . ? C2 N2 C6 32.7(4) . . . ? C2 N2 C7 103.4(4) . . . ? C2 N2 H1 117.6 . . . no C2 N2 H2 21.9 . . . no C2 N2 H2 93.6 . . . no C2 N2 H2 93.6 . . . no C2 N2 H5 21.6 . . . no C2 N2 H5 123.4 . . . no C2 N2 H5 123.5 . . . no C2 N2 H6 50.0 . . . no C2 N2 H6 50.0 . . . no C3 N2 C3 117.7(2) . . . ? C3 N2 C3 117.7(2) . . . ? C3 N2 C4 30.5(2) . . . ? C3 N2 C6 63.3(3) . . . ? C3 N2 C7 72.7(3) . . . ? C3 N2 H1 148.2 . . . no C3 N2 H2 8.8 . . . no C3 N2 H2 106.0 . . . no C3 N2 H2 106.0 . . . no C3 N2 H5 52.3 . . . no C3 N2 H5 119.2 . . . no C3 N2 H5 119.2 . . . no C3 N2 H6 79.4 . . . no C3 N2 H6 79.4 . . . no C3 N2 C3 105.2(2) 4_654 4_654 4_654 ? C3 N2 C4 126.80(10) 4_654 4_654 4_654 ? C3 N2 C6 81.8(2) 4_654 4_654 4_654 ? C3 N2 C7 120.81(12) 4_654 4_654 4_654 ? C3 N2 H1 53.0 4_654 4_654 4_654 no C3 N2 H2 113.5 4_654 4_654 4_654 no C3 N2 H2 12.7 4_654 4_654 4_654 no C3 N2 H2 116.9 4_654 4_654 4_654 no C3 N2 H5 88.5 4_654 4_654 4_654 no C3 N2 H5 38.1 4_654 4_654 4_654 no C3 N2 H5 122.5 4_654 4_654 4_654 no C3 N2 H6 60.7 4_654 4_654 4_654 no C3 N2 H6 85.2 4_654 4_654 4_654 no C3 N2 C4 126.79(10) 4_664 4_664 4_664 ? C3 N2 C6 81.9(2) 4_664 4_664 4_664 ? C3 N2 C7 120.79(12) 4_664 4_664 4_664 ? C3 N2 H1 53.1 4_664 4_664 4_664 no C3 N2 H2 113.5 4_664 4_664 4_664 no C3 N2 H2 116.9 4_664 4_664 4_664 no C3 N2 H2 12.7 4_664 4_664 4_664 no C3 N2 H5 88.5 4_664 4_664 4_664 no C3 N2 H5 122.5 4_664 4_664 4_664 no C3 N2 H5 38.1 4_664 4_664 4_664 no C3 N2 H6 85.3 4_664 4_664 4_664 no C3 N2 H6 60.7 4_664 4_664 4_664 no C4 N2 C6 93.8(3) . . . ? C4 N2 C7 42.2(2) . . . ? C4 N2 H1 178.7 . . . no C4 N2 H2 39.3 . . . no C4 N2 H2 114.2 . . . no C4 N2 H2 114.2 . . . no C4 N2 H5 82.8 . . . no C4 N2 H5 106.8 . . . no C4 N2 H5 106.8 . . . no C4 N2 H6 108.8 . . . no C4 N2 H6 108.8 . . . no C6 N2 C7 136.0(3) . . . ? C6 N2 H1 84.9 . . . no C6 N2 H2 54.6 . . . no C6 N2 H2 79.6 . . . no C6 N2 H2 79.6 . . . no C6 N2 H5 11.1 . . . no C6 N2 H5 116.7 . . . no C6 N2 H5 116.8 . . . no C6 N2 H6 21.5 . . . no C6 N2 H6 21.5 . . . no C7 N2 H1 139.0 . . . no C7 N2 H2 81.5 . . . no C7 N2 H2 114.1 . . . no C7 N2 H2 114.0 . . . no C7 N2 H5 125.0 . . . no C7 N2 H5 84.1 . . . no C7 N2 H5 84.1 . . . no C7 N2 H6 148.4 . . . no C7 N2 H6 148.4 . . . no H1 N2 H2 139.5 . . . no H1 N2 H2 65.6 . . . no H1 N2 H2 65.6 . . . no H1 N2 H5 96.0 . . . no H1 N2 H5 73.8 . . . no H1 N2 H5 73.9 . . . no H1 N2 H6 69.9 . . . no H1 N2 H6 69.9 . . . no H2 N2 H2 102.7 . . . no H2 N2 H2 102.7 . . . no H2 N2 H5 43.5 . . . no H2 N2 H5 121.4 . . . no H2 N2 H5 121.4 . . . no H2 N2 H6 70.9 . . . no H2 N2 H6 70.9 . . . no H2 N2 H2 128.0 4_654 4_654 4_654 no H2 N2 H5 84.2 4_654 4_654 4_654 no H2 N2 H5 37.3 4_654 4_654 4_654 no H2 N2 H5 134.7 4_654 4_654 4_654 no H2 N2 H6 59.8 4_654 4_654 4_654 no H2 N2 H6 87.5 4_654 4_654 4_654 no H2 N2 H5 84.2 4_664 4_664 4_664 no H2 N2 H5 134.7 4_664 4_664 4_664 no H2 N2 H5 37.3 4_664 4_664 4_664 no H2 N2 H6 87.6 4_664 4_664 4_664 no H2 N2 H6 59.8 4_664 4_664 4_664 no H5 N2 H5 120.2 . . . no H5 N2 H5 120.2 . . . no H5 N2 H6 30.3 . . . no H5 N2 H6 30.3 . . . no H5 N2 H5 113.0 4_654 4_654 4_654 no H5 N2 H6 97.0 4_654 4_654 4_654 no H5 N2 H6 123.3 4_654 4_654 4_654 no H5 N2 H6 123.3 4_664 4_664 4_664 no H5 N2 H6 97.0 4_664 4_664 4_664 no H6 N2 H6 29.7 . . . no O2 N3 O3 119.4(7) . . . ? O2 N3 O4 120.7(6) . . . ? O2 N3 N1 77.7(2) . . . ? O2 N3 N1 77.7(2) . . . ? O2 N3 N2 75.3(2) . . . ? O2 N3 N2 75.3(2) . . . ? O2 N3 N2 159.8(5) . . . ? O2 N3 C1 63.7(2) . . . ? O2 N3 C1 63.7(2) . . . ? O2 N3 C2 96.9(2) . . . ? O2 N3 C2 97.0(2) . . . ? O2 N3 C3 110.6(2) . . . ? O2 N3 C3 110.6(2) . . . ? O2 N3 C3 61.3(4) . . . ? O2 N3 C4 100.7(2) . . . ? O2 N3 C4 100.7(2) . . . ? O2 N3 C8 64.3(3) . . . ? O2 N3 C8 64.3(3) . . . ? O2 N3 H1 157.9 . . . no O2 N3 H2 123.9 . . . no O2 N3 H2 123.9 . . . no O2 N3 H2 65.6 . . . no O2 N3 H4 109.1 . . . no O2 N3 H4 109.1 . . . no O2 N3 H5 21.7 . . . no O2 N3 H6 156.1 . . . no O2 N3 H6 156.1 . . . no O2 N3 H7 62.1 . . . no O2 N3 H7 62.1 . . . no O3 N3 O4 119.9(7) . . . ? O3 N3 N1 111.67(12) . . . ? O3 N3 N1 111.64(12) . . . ? O3 N3 N2 78.9(2) . . . ? O3 N3 N2 78.9(2) . . . ? O3 N3 N2 40.4(4) . . . ? O3 N3 C1 101.7(2) . . . ? O3 N3 C1 101.6(2) . . . ? O3 N3 C2 65.7(1) . . . ? O3 N3 C2 65.6(1) . . . ? O3 N3 C3 75.5(2) . . . ? O3 N3 C3 75.5(2) . . . ? O3 N3 C3 58.1(4) . . . ? O3 N3 C4 98.8(2) . . . ? O3 N3 C4 98.8(2) . . . ? O3 N3 C8 149.12(9) . . . ? O3 N3 C8 149.11(9) . . . ? O3 N3 H1 38.5 . . . no O3 N3 H2 68.8 . . . no O3 N3 H2 68.7 . . . no O3 N3 H2 53.8 . . . no O3 N3 H4 116.9 . . . no O3 N3 H4 116.9 . . . no O3 N3 H5 97.7 . . . no O3 N3 H6 82.1 . . . no O3 N3 H6 82.1 . . . no O3 N3 H7 157.7 . . . no O3 N3 H7 157.7 . . . no O4 N3 N1 81.2(2) . . . ? O4 N3 N1 81.2(2) . . . ? O4 N3 N2 116.33(12) . . . ? O4 N3 N2 116.34(12) . . . ? O4 N3 N2 79.6(4) . . . ? O4 N3 C1 104.0(2) . . . ? O4 N3 C1 104.0(2) . . . ? O4 N3 C2 106.7(2) . . . ? O4 N3 C2 106.7(2) . . . ? O4 N3 C3 84.1(2) . . . ? O4 N3 C3 84.2(2) . . . ? O4 N3 C3 178.0(5) . . . ? O4 N3 C4 70.4(2) . . . ? O4 N3 C4 70.4(2) . . . ? O4 N3 C8 65.5(3) . . . ? O4 N3 C8 65.5(3) . . . ? O4 N3 H1 81.4 . . . no O4 N3 H2 78.7 . . . no O4 N3 H2 78.7 . . . no O4 N3 H2 173.7 . . . no O4 N3 H4 39.4 . . . no O4 N3 H4 39.5 . . . no O4 N3 H5 142.3 . . . no O4 N3 H6 39.3 . . . no O4 N3 H6 39.3 . . . no O4 N3 H7 63.3 . . . no O4 N3 H7 63.3 . . . no N1 N3 N1 136.5(3) . . . ? N1 N3 N2 39.19(11) . . . ? N1 N3 N2 152.7(3) . . . ? N1 N3 N2 107.7(2) . . . ? N1 N3 C1 22.90(13) . . . ? N1 N3 C1 138.0(3) . . . ? N1 N3 C2 46.15(12) . . . ? N1 N3 C2 172.0(3) . . . ? N1 N3 C3 40.22(13) . . . ? N1 N3 C3 165.4(3) . . . ? N1 N3 C3 99.5(2) . . . ? N1 N3 C4 23.0(1) . . . ? N1 N3 C4 146.0(2) . . . ? N1 N3 C8 37.45(12) . . . ? N1 N3 C8 99.2(2) . . . ? N1 N3 H1 108.1 . . . no N1 N3 H2 52.0 . . . no N1 N3 H2 156.2 . . . no N1 N3 H2 100.9 . . . no N1 N3 H4 43.1 . . . no N1 N3 H4 116.2 . . . no N1 N3 H5 85.1 . . . no N1 N3 H6 105.3 . . . no N1 N3 H6 84.7 . . . no N1 N3 H7 46.1 . . . no N1 N3 H7 90.5 . . . no N1 N3 N2 152.7(3) 1_545 1_545 1_545 ? N1 N3 N2 39.19(11) 1_545 1_545 1_545 ? N1 N3 N2 107.7(2) 1_545 1_545 1_545 ? N1 N3 C1 138.0(3) 1_545 1_545 1_545 ? N1 N3 C1 22.90(13) 1_545 1_545 1_545 ? N1 N3 C2 172.0(3) 1_545 1_545 1_545 ? N1 N3 C2 46.15(12) 1_545 1_545 1_545 ? N1 N3 C3 165.3(3) 1_545 1_545 1_545 ? N1 N3 C3 40.22(13) 1_545 1_545 1_545 ? N1 N3 C3 99.5(2) 1_545 1_545 1_545 ? N1 N3 C4 146.0(2) 1_545 1_545 1_545 ? N1 N3 C4 23.0(1) 1_545 1_545 1_545 ? N1 N3 C8 99.2(2) 1_545 1_545 1_545 ? N1 N3 C8 37.47(12) 1_545 1_545 1_545 ? N1 N3 H1 108.1 1_545 1_545 1_545 no N1 N3 H2 156.2 1_545 1_545 1_545 no N1 N3 H2 52.0 1_545 1_545 1_545 no N1 N3 H2 100.9 1_545 1_545 1_545 no N1 N3 H4 116.2 1_545 1_545 1_545 no N1 N3 H4 43.1 1_545 1_545 1_545 no N1 N3 H5 85.1 1_545 1_545 1_545 no N1 N3 H6 84.7 1_545 1_545 1_545 no N1 N3 H6 105.3 1_545 1_545 1_545 no N1 N3 H7 90.6 1_545 1_545 1_545 no N1 N3 H7 46.1 1_545 1_545 1_545 no N2 N3 N2 127.2(2) . . . ? N2 N3 N2 96.48(12) . . . ? N2 N3 C1 22.77(12) . . . ? N2 N3 C1 133.1(3) . . . ? N2 N3 C2 21.77(13) . . . ? N2 N3 C2 134.0(2) . . . ? N2 N3 C3 38.9(1) . . . ? N2 N3 C3 153.0(2) . . . ? N2 N3 C3 63.76(12) . . . ? N2 N3 C4 46.1(1) . . . ? N2 N3 C4 173.2(3) . . . ? N2 N3 C8 72.54(13) . . . ? N2 N3 C8 128.2(2) . . . ? N2 N3 H1 95.7 . . . no N2 N3 H2 50.7 . . . no N2 N3 H2 147.4 . . . no N2 N3 H2 64.1 . . . no N2 N3 H4 77.0 . . . no N2 N3 H4 154.8 . . . no N2 N3 H5 68.2 . . . no N2 N3 H6 122.3 . . . no N2 N3 H6 101.0 . . . no N2 N3 H7 80.4 . . . no N2 N3 H7 120.8 . . . no N2 N3 N2 96.46(12) 1_545 1_545 1_545 ? N2 N3 C1 133.1(3) 1_545 1_545 1_545 ? N2 N3 C1 22.77(12) 1_545 1_545 1_545 ? N2 N3 C2 134.0(2) 1_545 1_545 1_545 ? N2 N3 C2 21.77(13) 1_545 1_545 1_545 ? N2 N3 C3 153.0(2) 1_545 1_545 1_545 ? N2 N3 C3 38.9(1) 1_545 1_545 1_545 ? N2 N3 C3 63.75(12) 1_545 1_545 1_545 ? N2 N3 C4 173.2(3) 1_545 1_545 1_545 ? N2 N3 C4 46.1(1) 1_545 1_545 1_545 ? N2 N3 C8 128.3(2) 1_545 1_545 1_545 ? N2 N3 C8 72.56(13) 1_545 1_545 1_545 ? N2 N3 H1 95.6 1_545 1_545 1_545 no N2 N3 H2 147.4 1_545 1_545 1_545 no N2 N3 H2 50.7 1_545 1_545 1_545 no N2 N3 H2 64.1 1_545 1_545 1_545 no N2 N3 H4 154.8 1_545 1_545 1_545 no N2 N3 H4 77.0 1_545 1_545 1_545 no N2 N3 H5 68.2 1_545 1_545 1_545 no N2 N3 H6 101.0 1_545 1_545 1_545 no N2 N3 H6 122.3 1_545 1_545 1_545 no N2 N3 H7 120.8 1_545 1_545 1_545 no N2 N3 H7 80.4 1_545 1_545 1_545 no N2 N3 C1 114.2(2) 4_655 4_655 4_655 ? N2 N3 C1 114.2(2) 4_655 4_655 4_655 ? N2 N3 C2 75.3(2) 4_655 4_655 4_655 ? N2 N3 C2 75.3(2) 4_655 4_655 4_655 ? N2 N3 C3 68.9(2) 4_655 4_655 4_655 ? N2 N3 C3 68.8(2) 4_655 4_655 4_655 ? N2 N3 C3 98.5(2) 4_655 4_655 4_655 ? N2 N3 C4 85.6(2) 4_655 4_655 4_655 ? N2 N3 C4 85.6(2) 4_655 4_655 4_655 ? N2 N3 C8 131.6(2) 4_655 4_655 4_655 ? N2 N3 C8 131.6(2) 4_655 4_655 4_655 ? N2 N3 H1 1.9 4_655 4_655 4_655 no N2 N3 H2 56.1 4_655 4_655 4_655 no N2 N3 H2 56.1 4_655 4_655 4_655 no N2 N3 H2 94.2 4_655 4_655 4_655 no N2 N3 H4 86.4 4_655 4_655 4_655 no N2 N3 H4 86.3 4_655 4_655 4_655 no N2 N3 H5 138.1 4_655 4_655 4_655 no N2 N3 H6 42.8 4_655 4_655 4_655 no N2 N3 H6 42.8 4_655 4_655 4_655 no N2 N3 H7 135.6 4_655 4_655 4_655 no N2 N3 H7 135.6 4_655 4_655 4_655 no C1 N3 C1 127.4(3) . . . ? C1 N3 C2 40.0(1) . . . ? C1 N3 C2 149.2(3) . . . ? C1 N3 C3 47.1(2) . . . ? C1 N3 C3 171.6(3) . . . ? C1 N3 C3 76.8(2) . . . ? C1 N3 C4 40.8(2) . . . ? C1 N3 C4 158.6(3) . . . ? C1 N3 C8 50.3(2) . . . ? C1 N3 C8 106.3(2) . . . ? C1 N3 H1 113.8 . . . no C1 N3 H2 60.4 . . . no C1 N3 H2 169.6 . . . no C1 N3 H2 78.5 . . . no C1 N3 H4 65.9 . . . no C1 N3 H4 136.3 . . . no C1 N3 H5 65.3 . . . no C1 N3 H6 125.7 . . . no C1 N3 H6 103.8 . . . no C1 N3 H7 57.9 . . . no C1 N3 H7 98.4 . . . no C1 N3 C2 149.1(3) 1_545 1_545 1_545 ? C1 N3 C2 40.0(1) 1_545 1_545 1_545 ? C1 N3 C3 171.6(3) 1_545 1_545 1_545 ? C1 N3 C3 47.1(2) 1_545 1_545 1_545 ? C1 N3 C3 76.8(2) 1_545 1_545 1_545 ? C1 N3 C4 158.6(3) 1_545 1_545 1_545 ? C1 N3 C4 40.8(2) 1_545 1_545 1_545 ? C1 N3 C8 106.3(2) 1_545 1_545 1_545 ? C1 N3 C8 50.3(2) 1_545 1_545 1_545 ? C1 N3 H1 113.8 1_545 1_545 1_545 no C1 N3 H2 169.6 1_545 1_545 1_545 no C1 N3 H2 60.4 1_545 1_545 1_545 no C1 N3 H2 78.5 1_545 1_545 1_545 no C1 N3 H4 136.3 1_545 1_545 1_545 no C1 N3 H4 65.9 1_545 1_545 1_545 no C1 N3 H5 65.3 1_545 1_545 1_545 no C1 N3 H6 103.8 1_545 1_545 1_545 no C1 N3 H6 125.7 1_545 1_545 1_545 no C1 N3 H7 98.4 1_545 1_545 1_545 no C1 N3 H7 57.9 1_545 1_545 1_545 no C2 N3 C2 130.0(3) . . . ? C2 N3 C3 22.6(1) . . . ? C2 N3 C3 140.0(2) . . . ? C2 N3 C3 72.7(2) . . . ? C2 N3 C4 40.3(2) . . . ? C2 N3 C4 160.8(3) . . . ? C2 N3 C8 83.54(13) . . . ? C2 N3 C8 144.8(2) . . . ? C2 N3 H1 74.7 . . . no C2 N3 H2 31.2 . . . no C2 N3 H2 129.6 . . . no C2 N3 H2 71.4 . . . no C2 N3 H4 71.0 . . . no C2 N3 H4 144.8 . . . no C2 N3 H5 87.9 . . . no C2 N3 H6 102.0 . . . no C2 N3 H6 82.0 . . . no C2 N3 H7 92.1 . . . no C2 N3 H7 136.3 . . . no C2 N3 C3 140.0(2) 1_545 1_545 1_545 ? C2 N3 C3 22.6(1) 1_545 1_545 1_545 ? C2 N3 C3 72.7(2) 1_545 1_545 1_545 ? C2 N3 C4 160.8(3) 1_545 1_545 1_545 ? C2 N3 C4 40.3(2) 1_545 1_545 1_545 ? C2 N3 C8 144.8(2) 1_545 1_545 1_545 ? C2 N3 C8 83.56(13) 1_545 1_545 1_545 ? C2 N3 H1 74.7 1_545 1_545 1_545 no C2 N3 H2 129.6 1_545 1_545 1_545 no C2 N3 H2 31.2 1_545 1_545 1_545 no C2 N3 H2 71.4 1_545 1_545 1_545 no C2 N3 H4 144.8 1_545 1_545 1_545 no C2 N3 H4 71.0 1_545 1_545 1_545 no C2 N3 H5 87.9 1_545 1_545 1_545 no C2 N3 H6 82.0 1_545 1_545 1_545 no C2 N3 H6 102.0 1_545 1_545 1_545 no C2 N3 H7 136.3 1_545 1_545 1_545 no C2 N3 H7 92.2 1_545 1_545 1_545 no C3 N3 C3 137.5(3) . . . ? C3 N3 C3 95.2(1) . . . ? C3 N3 C4 23.4(1) . . . ? C3 N3 C4 146.9(3) . . . ? C3 N3 C8 75.0(2) . . . ? C3 N3 C8 134.2(2) . . . ? C3 N3 H1 69.0 . . . no C3 N3 H2 13.4 . . . no C3 N3 H2 124.3 . . . no C3 N3 H2 93.6 . . . no C3 N3 H4 50.2 . . . no C3 N3 H4 122.4 . . . no C3 N3 H5 107.1 . . . no C3 N3 H6 83.7 . . . no C3 N3 H6 62.1 . . . no C3 N3 H7 83.3 . . . no C3 N3 H7 126.0 . . . no C3 N3 C3 95.1(1) 1_545 1_545 1_545 ? C3 N3 C4 146.9(3) 1_545 1_545 1_545 ? C3 N3 C4 23.4(1) 1_545 1_545 1_545 ? C3 N3 C8 134.2(2) 1_545 1_545 1_545 ? C3 N3 C8 75.0(2) 1_545 1_545 1_545 ? C3 N3 H1 68.9 1_545 1_545 1_545 no C3 N3 H2 124.3 1_545 1_545 1_545 no C3 N3 H2 13.4 1_545 1_545 1_545 no C3 N3 H2 93.6 1_545 1_545 1_545 no C3 N3 H4 122.4 1_545 1_545 1_545 no C3 N3 H4 50.3 1_545 1_545 1_545 no C3 N3 H5 107.1 1_545 1_545 1_545 no C3 N3 H6 62.1 1_545 1_545 1_545 no C3 N3 H6 83.7 1_545 1_545 1_545 no C3 N3 H7 126.1 1_545 1_545 1_545 no C3 N3 H7 83.3 1_545 1_545 1_545 no C3 N3 C4 109.6(2) 4_654 4_654 4_654 ? C3 N3 C4 109.6(2) 4_654 4_654 4_654 ? C3 N3 C8 116.2(2) 4_654 4_654 4_654 ? C3 N3 C8 116.2(2) 4_654 4_654 4_654 ? C3 N3 H1 96.6 4_654 4_654 4_654 no C3 N3 H2 100.2 4_654 4_654 4_654 no C3 N3 H2 100.2 4_654 4_654 4_654 no C3 N3 H2 4.3 4_654 4_654 4_654 no C3 N3 H4 140.8 4_654 4_654 4_654 no C3 N3 H4 140.7 4_654 4_654 4_654 no C3 N3 H5 39.7 4_654 4_654 4_654 no C3 N3 H6 138.8 4_654 4_654 4_654 no C3 N3 H6 138.8 4_654 4_654 4_654 no C3 N3 H7 118.5 4_654 4_654 4_654 no C3 N3 H7 118.5 4_654 4_654 4_654 no C4 N3 C4 140.7(3) . . . ? C4 N3 C8 52.4(2) . . . ? C4 N3 C8 110.9(2) . . . ? C4 N3 H1 86.2 . . . no C4 N3 H2 31.7 . . . no C4 N3 H2 134.5 . . . no C4 N3 H2 109.4 . . . no C4 N3 H4 31.6 . . . no C4 N3 H4 109.6 . . . no C4 N3 H5 106.0 . . . no C4 N3 H6 84.9 . . . no C4 N3 H6 63.2 . . . no C4 N3 H7 60.4 . . . no C4 N3 H7 102.6 . . . no C4 N3 C8 110.9(2) 1_545 1_545 1_545 ? C4 N3 C8 52.4(2) 1_545 1_545 1_545 ? C4 N3 H1 86.2 1_545 1_545 1_545 no C4 N3 H2 134.5 1_545 1_545 1_545 no C4 N3 H2 31.7 1_545 1_545 1_545 no C4 N3 H2 109.4 1_545 1_545 1_545 no C4 N3 H4 109.6 1_545 1_545 1_545 no C4 N3 H4 31.6 1_545 1_545 1_545 no C4 N3 H5 106.0 1_545 1_545 1_545 no C4 N3 H6 63.2 1_545 1_545 1_545 no C4 N3 H6 84.9 1_545 1_545 1_545 no C4 N3 H7 102.7 1_545 1_545 1_545 no C4 N3 H7 60.4 1_545 1_545 1_545 no C8 N3 C8 61.7(2) . . . ? C8 N3 H1 132.9 . . . no C8 N3 H2 84.0 . . . no C8 N3 H2 137.8 . . . no C8 N3 H2 119.7 . . . no C8 N3 H4 45.4 . . . no C8 N3 H4 86.8 . . . no C8 N3 H5 82.5 . . . no C8 N3 H6 103.4 . . . no C8 N3 H6 91.9 . . . no C8 N3 H7 8.6 . . . no C8 N3 H7 53.1 . . . no C8 N3 H1 132.9 7_545 7_545 7_545 no C8 N3 H2 137.8 7_545 7_545 7_545 no C8 N3 H2 84.0 7_545 7_545 7_545 no C8 N3 H2 119.7 7_545 7_545 7_545 no C8 N3 H4 86.8 7_545 7_545 7_545 no C8 N3 H4 45.4 7_545 7_545 7_545 no C8 N3 H5 82.5 7_545 7_545 7_545 no C8 N3 H6 91.9 7_545 7_545 7_545 no C8 N3 H6 103.4 7_545 7_545 7_545 no C8 N3 H7 53.1 7_545 7_545 7_545 no C8 N3 H7 8.6 7_545 7_545 7_545 no H1 N3 H2 56.3 4_655 4_655 4_655 no H1 N3 H2 56.3 4_655 4_655 4_655 no H1 N3 H2 92.3 4_655 4_655 4_655 no H1 N3 H4 87.8 4_655 4_655 4_655 no H1 N3 H4 87.8 4_655 4_655 4_655 no H1 N3 H5 136.3 4_655 4_655 4_655 no H1 N3 H6 44.5 4_655 4_655 4_655 no H1 N3 H6 44.5 4_655 4_655 4_655 no H1 N3 H7 137.2 4_655 4_655 4_655 no H1 N3 H7 137.2 4_655 4_655 4_655 no H2 N3 H2 111.0 . . . no H2 N3 H2 97.9 . . . no H2 N3 H4 50.9 . . . no H2 N3 H4 114.2 . . . no H2 N3 H5 118.7 . . . no H2 N3 H6 71.7 . . . no H2 N3 H6 50.9 . . . no H2 N3 H7 91.7 . . . no H2 N3 H7 130.8 . . . no H2 N3 H2 97.9 1_545 1_545 1_545 no H2 N3 H4 114.2 1_545 1_545 1_545 no H2 N3 H4 51.0 1_545 1_545 1_545 no H2 N3 H5 118.7 1_545 1_545 1_545 no H2 N3 H6 50.9 1_545 1_545 1_545 no H2 N3 H6 71.7 1_545 1_545 1_545 no H2 N3 H7 130.9 1_545 1_545 1_545 no H2 N3 H7 91.7 1_545 1_545 1_545 no H2 N3 H4 140.9 4_654 4_654 4_654 no H2 N3 H4 140.9 4_654 4_654 4_654 no H2 N3 H5 43.9 4_654 4_654 4_654 no H2 N3 H6 134.7 4_654 4_654 4_654 no H2 N3 H6 134.7 4_654 4_654 4_654 no H2 N3 H7 122.3 4_654 4_654 4_654 no H2 N3 H7 122.3 4_654 4_654 4_654 no H4 N3 H4 78.2 . . . no H4 N3 H5 124.3 . . . no H4 N3 H6 64.6 . . . no H4 N3 H6 47.8 . . . no H4 N3 H7 49.6 . . . no H4 N3 H7 80.2 . . . no H4 N3 H5 124.3 7_545 7_545 7_545 no H4 N3 H6 47.8 7_545 7_545 7_545 no H4 N3 H6 64.6 7_545 7_545 7_545 no H4 N3 H7 80.2 7_545 7_545 7_545 no H4 N3 H7 49.6 7_545 7_545 7_545 no H5 N3 H6 168.9 4_654 4_654 4_654 no H5 N3 H6 168.9 4_654 4_654 4_654 no H5 N3 H7 82.0 4_654 4_654 4_654 no H5 N3 H7 82.0 4_654 4_654 4_654 no H6 N3 H6 22.2 6_645 6_645 6_645 no H6 N3 H7 102.4 6_645 6_645 6_645 no H6 N3 H7 94.0 6_645 6_645 6_645 no H6 N3 H7 94.0 4_655 4_655 4_655 no H6 N3 H7 102.4 4_655 4_655 4_655 no H7 N3 H7 44.5 . . . no O1 C1 O2 96.3(2) . . . ? O1 C1 O2 96.3(2) . . . ? O1 C1 O3 124.3(2) . . . ? O1 C1 O3 124.3(2) . . . ? O1 C1 O3 71.5(4) . . . ? O1 C1 N1 123.9(6) . . . ? O1 C1 N2 122.0(7) . . . ? O1 C1 N3 116.2(2) . . . ? O1 C1 N3 116.2(2) . . . ? O1 C1 C2 149.3(6) . . . ? O1 C1 C3 178.5(6) . . . ? O1 C1 C4 151.8(6) . . . ? O1 C1 C5 139.9(5) . . . ? O1 C1 C6 136.9(5) . . . ? O1 C1 C7 90.4(5) . . . ? O1 C1 C8 84.2(4) . . . ? O1 C1 C8 84.2(4) . . . ? O1 C1 H1 98.0 . . . no O1 C1 H2 178.5 . . . no O1 C1 H3 17.9 . . . no O1 C1 H5 68.2 . . . no O1 C1 H5 68.2 . . . no O1 C1 H6 126.4 . . . no O1 C1 H6 126.4 . . . no O1 C1 H7 89.0 . . . no O1 C1 H7 89.0 . . . no O2 C1 O2 167.0(4) . . . ? O2 C1 O3 32.23(12) . . . ? O2 C1 O3 137.2(3) . . . ? O2 C1 O3 93.5(2) . . . ? O2 C1 N1 85.2(2) . . . ? O2 C1 N2 87.9(2) . . . ? O2 C1 N3 19.88(11) . . . ? O2 C1 N3 147.2(3) . . . ? O2 C1 C2 85.3(2) . . . ? O2 C1 C3 83.7(2) . . . ? O2 C1 C4 83.7(2) . . . ? O2 C1 C5 84.2(2) . . . ? O2 C1 C6 86.4(2) . . . ? O2 C1 C7 88.4(2) . . . ? O2 C1 C8 68.1(2) . . . ? O2 C1 C8 110.3(2) . . . ? O2 C1 H1 90.6 . . . no O2 C1 H2 83.7 . . . no O2 C1 H3 96.5 . . . no O2 C1 H5 35.7 . . . no O2 C1 H5 155.7 . . . no O2 C1 H6 77.8 . . . no O2 C1 H6 97.0 . . . no O2 C1 H7 51.2 . . . no O2 C1 H7 126.0 . . . no O2 C1 O3 137.2(3) 1_565 1_565 1_565 ? O2 C1 O3 32.24(12) 1_565 1_565 1_565 ? O2 C1 O3 93.5(2) 1_565 1_565 1_565 ? O2 C1 N1 85.2(2) 1_565 1_565 1_565 ? O2 C1 N2 88.0(2) 1_565 1_565 1_565 ? O2 C1 N3 147.2(3) 1_565 1_565 1_565 ? O2 C1 N3 19.88(11) 1_565 1_565 1_565 ? O2 C1 C2 85.4(2) 1_565 1_565 1_565 ? O2 C1 C3 83.7(2) 1_565 1_565 1_565 ? O2 C1 C4 83.7(2) 1_565 1_565 1_565 ? O2 C1 C5 84.2(2) 1_565 1_565 1_565 ? O2 C1 C6 86.4(2) 1_565 1_565 1_565 ? O2 C1 C7 88.4(2) 1_565 1_565 1_565 ? O2 C1 C8 110.2(2) 1_565 1_565 1_565 ? O2 C1 C8 68.0(2) 1_565 1_565 1_565 ? O2 C1 H1 90.7 1_565 1_565 1_565 no O2 C1 H2 83.7 1_565 1_565 1_565 no O2 C1 H3 96.5 1_565 1_565 1_565 no O2 C1 H5 155.7 1_565 1_565 1_565 no O2 C1 H5 35.7 1_565 1_565 1_565 no O2 C1 H6 97.1 1_565 1_565 1_565 no O2 C1 H6 77.8 1_565 1_565 1_565 no O2 C1 H7 126.0 1_565 1_565 1_565 no O2 C1 H7 51.2 1_565 1_565 1_565 no O3 C1 O3 105.3(2) . . . ? O3 C1 O3 87.95(11) . . . ? O3 C1 N1 82.7(3) . . . ? O3 C1 N2 60.7(2) . . . ? O3 C1 N3 18.06(10) . . . ? O3 C1 N3 118.3(2) . . . ? O3 C1 C2 53.16(10) . . . ? O3 C1 C3 55.33(11) . . . ? O3 C1 C4 67.1(2) . . . ? O3 C1 C5 73.4(2) . . . ? O3 C1 C6 55.56(10) . . . ? O3 C1 C7 102.8(2) . . . ? O3 C1 C8 88.7(2) . . . ? O3 C1 C8 123.6(2) . . . ? O3 C1 H1 72.5 . . . no O3 C1 H2 55.3 . . . no O3 C1 H3 117.8 . . . no O3 C1 H5 56.3 . . . no O3 C1 H5 145.5 . . . no O3 C1 H6 49.8 . . . no O3 C1 H6 67.8 . . . no O3 C1 H7 72.7 . . . no O3 C1 H7 132.4 . . . no O3 C1 O3 87.97(11) 1_565 1_565 1_565 ? O3 C1 N1 82.7(3) 1_565 1_565 1_565 ? O3 C1 N2 60.7(2) 1_565 1_565 1_565 ? O3 C1 N3 118.3(2) 1_565 1_565 1_565 ? O3 C1 N3 18.06(10) 1_565 1_565 1_565 ? O3 C1 C2 53.18(10) 1_565 1_565 1_565 ? O3 C1 C3 55.33(11) 1_565 1_565 1_565 ? O3 C1 C4 67.1(2) 1_565 1_565 1_565 ? O3 C1 C5 73.4(2) 1_565 1_565 1_565 ? O3 C1 C6 55.58(10) 1_565 1_565 1_565 ? O3 C1 C7 102.8(2) 1_565 1_565 1_565 ? O3 C1 C8 123.6(2) 1_565 1_565 1_565 ? O3 C1 C8 88.7(2) 1_565 1_565 1_565 ? O3 C1 H1 72.5 1_565 1_565 1_565 no O3 C1 H2 55.3 1_565 1_565 1_565 no O3 C1 H3 117.8 1_565 1_565 1_565 no O3 C1 H5 145.4 1_565 1_565 1_565 no O3 C1 H5 56.3 1_565 1_565 1_565 no O3 C1 H6 67.8 1_565 1_565 1_565 no O3 C1 H6 49.8 1_565 1_565 1_565 no O3 C1 H7 132.4 1_565 1_565 1_565 no O3 C1 H7 72.7 1_565 1_565 1_565 no O3 C1 N1 164.6(5) 4_654 4_654 4_654 ? O3 C1 N2 50.5(4) 4_654 4_654 4_654 ? O3 C1 N3 100.5(2) 4_654 4_654 4_654 ? O3 C1 N3 100.5(2) 4_654 4_654 4_654 ? O3 C1 C2 77.8(3) 4_654 4_654 4_654 ? O3 C1 C3 107.0(3) 4_654 4_654 4_654 ? O3 C1 C4 136.7(3) 4_654 4_654 4_654 ? O3 C1 C5 148.5(3) 4_654 4_654 4_654 ? O3 C1 C6 65.4(2) 4_654 4_654 4_654 ? O3 C1 C7 161.9(4) 4_654 4_654 4_654 ? O3 C1 C8 147.9(2) 4_654 4_654 4_654 ? O3 C1 C8 147.9(2) 4_654 4_654 4_654 ? O3 C1 H1 26.4 4_654 4_654 4_654 no O3 C1 H2 106.9 4_654 4_654 4_654 no O3 C1 H3 53.6 4_654 4_654 4_654 no O3 C1 H5 64.4 4_654 4_654 4_654 no O3 C1 H5 64.4 4_654 4_654 4_654 no O3 C1 H6 56.0 4_654 4_654 4_654 no O3 C1 H6 56.0 4_654 4_654 4_654 no O3 C1 H7 138.2 4_654 4_654 4_654 no O3 C1 H7 138.2 4_654 4_654 4_654 no N1 C1 N2 114.1(6) . . . ? N1 C1 N3 73.5(2) . . . ? N1 C1 N3 73.5(2) . . . ? N1 C1 C2 86.8(5) . . . ? N1 C1 C3 57.6(4) . . . ? N1 C1 C4 27.9(3) . . . ? N1 C1 C5 16.1(3) . . . ? N1 C1 C6 99.2(4) . . . ? N1 C1 C7 33.5(3) . . . ? N1 C1 C8 44.5(3) . . . ? N1 C1 C8 44.5(3) . . . ? N1 C1 H1 138.2 . . . no N1 C1 H2 57.7 . . . no N1 C1 H3 141.8 . . . no N1 C1 H5 118.8 . . . no N1 C1 H5 118.8 . . . no N1 C1 H6 108.9 . . . no N1 C1 H6 108.9 . . . no N1 C1 H7 49.6 . . . no N1 C1 H7 49.6 . . . no N2 C1 N3 78.7(2) . . . ? N2 C1 N3 78.7(2) . . . ? N2 C1 C2 27.3(3) . . . ? N2 C1 C3 56.5(4) . . . ? N2 C1 C4 86.2(5) . . . ? N2 C1 C5 98.0(5) . . . ? N2 C1 C6 14.9(3) . . . ? N2 C1 C7 147.6(6) . . . ? N2 C1 C8 147.0(4) . . . ? N2 C1 C8 147.0(4) . . . ? N2 C1 H1 24.1 . . . no N2 C1 H2 56.4 . . . no N2 C1 H3 104.1 . . . no N2 C1 H5 85.1 . . . no N2 C1 H5 85.2 . . . no N2 C1 H6 10.9 . . . no N2 C1 H6 10.9 . . . no N2 C1 H7 132.8 . . . no N2 C1 H7 132.9 . . . no N3 C1 N3 127.4(3) . . . ? N3 C1 C2 69.1(2) . . . ? N3 C1 C3 63.9(2) . . . ? N3 C1 C4 65.8(2) . . . ? N3 C1 C5 68.5(2) . . . ? N3 C1 C6 73.1(2) . . . ? N3 C1 C7 87.2(2) . . . ? N3 C1 C8 71.2(2) . . . ? N3 C1 C8 109.1(2) . . . ? N3 C1 H1 89.1 . . . no N3 C1 H2 63.9 . . . no N3 C1 H3 115.7 . . . no N3 C1 H5 53.2 . . . no N3 C1 H5 163.0 . . . no N3 C1 H6 67.9 . . . no N3 C1 H6 85.7 . . . no N3 C1 H7 54.8 . . . no N3 C1 H7 121.3 . . . no N3 C1 C2 69.1(2) 1_565 1_565 1_565 ? N3 C1 C3 63.9(2) 1_565 1_565 1_565 ? N3 C1 C4 65.8(2) 1_565 1_565 1_565 ? N3 C1 C5 68.5(2) 1_565 1_565 1_565 ? N3 C1 C6 73.1(2) 1_565 1_565 1_565 ? N3 C1 C7 87.2(2) 1_565 1_565 1_565 ? N3 C1 C8 109.1(2) 1_565 1_565 1_565 ? N3 C1 C8 71.2(2) 1_565 1_565 1_565 ? N3 C1 H1 89.1 1_565 1_565 1_565 no N3 C1 H2 63.9 1_565 1_565 1_565 no N3 C1 H3 115.7 1_565 1_565 1_565 no N3 C1 H5 163.0 1_565 1_565 1_565 no N3 C1 H5 53.2 1_565 1_565 1_565 no N3 C1 H6 85.7 1_565 1_565 1_565 no N3 C1 H6 67.9 1_565 1_565 1_565 no N3 C1 H7 121.3 1_565 1_565 1_565 no N3 C1 H7 54.8 1_565 1_565 1_565 no C2 C1 C3 29.2(2) . . . ? C2 C1 C4 58.9(3) . . . ? C2 C1 C5 70.8(3) . . . ? C2 C1 C6 12.4(2) . . . ? C2 C1 C7 120.3(4) . . . ? C2 C1 C8 124.0(4) . . . ? C2 C1 C8 124.0(4) . . . ? C2 C1 H1 51.4 . . . no C2 C1 H2 29.2 . . . no C2 C1 H3 131.4 . . . no C2 C1 H5 98.6 . . . no C2 C1 H5 98.6 . . . no C2 C1 H6 24.2 . . . no C2 C1 H6 24.2 . . . no C2 C1 H7 114.8 . . . no C2 C1 H7 114.8 . . . no C3 C1 C4 29.7(2) . . . ? C3 C1 C5 41.5(2) . . . ? C3 C1 C6 41.6(2) . . . ? C3 C1 C7 91.1(4) . . . ? C3 C1 C8 97.1(3) . . . ? C3 C1 C8 97.1(3) . . . ? C3 C1 H1 80.6 . . . no C3 C1 H2 0.1 . . . no C3 C1 H3 160.6 . . . no C3 C1 H5 111.2 . . . no C3 C1 H5 111.3 . . . no C3 C1 H6 52.2 . . . no C3 C1 H6 52.2 . . . no C3 C1 H7 92.1 . . . no C3 C1 H7 92.2 . . . no C4 C1 C5 11.8(2) . . . ? C4 C1 C6 71.3(3) . . . ? C4 C1 C7 61.4(3) . . . ? C4 C1 C8 69.5(3) . . . ? C4 C1 C8 69.5(3) . . . ? C4 C1 H1 110.3 . . . no C4 C1 H2 29.8 . . . no C4 C1 H3 169.7 . . . no C4 C1 H5 118.9 . . . no C4 C1 H5 118.9 . . . no C4 C1 H6 81.4 . . . no C4 C1 H6 81.4 . . . no C4 C1 H7 69.0 . . . no C4 C1 H7 69.0 . . . no C5 C1 C6 83.1(2) . . . ? C5 C1 C7 49.5(3) . . . ? C5 C1 C8 58.7(2) . . . ? C5 C1 C8 58.7(2) . . . ? C5 C1 H1 122.1 . . . no C5 C1 H2 41.6 . . . no C5 C1 H3 157.8 . . . no C5 C1 H5 119.8 . . . no C5 C1 H5 119.8 . . . no C5 C1 H6 93.0 . . . no C5 C1 H6 93.0 . . . no C5 C1 H7 60.3 . . . no C5 C1 H7 60.3 . . . no C6 C1 C7 132.7(4) . . . ? C6 C1 C8 134.9(3) . . . ? C6 C1 C8 135.0(3) . . . ? C6 C1 H1 39.0 . . . no C6 C1 H2 41.6 . . . no C6 C1 H3 119.0 . . . no C6 C1 H5 92.5 . . . no C6 C1 H5 92.6 . . . no C6 C1 H6 13.8 . . . no C6 C1 H6 13.8 . . . no C6 C1 H7 123.6 . . . no C6 C1 H7 123.6 . . . no C7 C1 C8 22.20(13) . . . ? C7 C1 C8 22.19(13) . . . ? C7 C1 H1 171.7 . . . no C7 C1 H2 91.1 . . . no C7 C1 H3 108.3 . . . no C7 C1 H5 109.5 . . . no C7 C1 H5 109.5 . . . no C7 C1 H6 141.6 . . . no C7 C1 H6 141.6 . . . no C7 C1 H7 37.7 . . . no C7 C1 H7 37.7 . . . no C8 C1 C8 42.5(2) . . . ? C8 C1 H1 158.7 . . . no C8 C1 H2 97.2 . . . no C8 C1 H3 100.9 . . . no C8 C1 H5 87.5 . . . no C8 C1 H5 125.7 . . . no C8 C1 H6 136.8 . . . no C8 C1 H6 148.2 . . . no C8 C1 H7 17.0 . . . no C8 C1 H7 59.1 . . . no C8 C1 H1 158.7 7 7 7 no C8 C1 H2 97.2 7 7 7 no C8 C1 H3 100.9 7 7 7 no C8 C1 H5 125.8 7 7 7 no C8 C1 H5 87.5 7 7 7 no C8 C1 H6 148.2 7 7 7 no C8 C1 H6 136.8 7 7 7 no C8 C1 H7 59.1 7 7 7 no C8 C1 H7 17.0 7 7 7 no H1 C1 H2 80.5 . . . no H1 C1 H3 80.0 . . . no H1 C1 H5 73.9 . . . no H1 C1 H5 73.9 . . . no H1 C1 H6 30.5 . . . no H1 C1 H6 30.5 . . . no H1 C1 H7 141.8 . . . no H1 C1 H7 141.8 . . . no H2 C1 H3 160.6 . . . no H2 C1 H5 111.2 . . . no H2 C1 H5 111.2 . . . no H2 C1 H6 52.1 . . . no H2 C1 H6 52.1 . . . no H2 C1 H7 92.2 . . . no H2 C1 H7 92.2 . . . no H3 C1 H5 62.9 1_554 1_554 1_554 no H3 C1 H5 62.9 1_554 1_554 1_554 no H3 C1 H6 108.8 1_554 1_554 1_554 no H3 C1 H6 108.8 1_554 1_554 1_554 no H3 C1 H7 103.1 1_554 1_554 1_554 no H3 C1 H7 103.1 1_554 1_554 1_554 no H5 C1 H5 120.3 4_654 4_654 4_654 no H5 C1 H6 79.2 4_654 4_654 4_654 no H5 C1 H6 96.0 4_654 4_654 4_654 no H5 C1 H7 74.1 4_654 4_654 4_654 no H5 C1 H7 141.8 4_654 4_654 4_654 no H5 C1 H6 96.0 4_664 4_664 4_664 no H5 C1 H6 79.2 4_664 4_664 4_664 no H5 C1 H7 141.8 4_664 4_664 4_664 no H5 C1 H7 74.1 4_664 4_664 4_664 no H6 C1 H6 19.3 . . . no H6 C1 H7 122.1 . . . no H6 C1 H7 137.4 . . . no H6 C1 H7 137.4 7 7 7 no H6 C1 H7 122.1 7 7 7 no H7 C1 H7 75.3 . . . no O1 C2 O2 57.37(11) . . . ? O1 C2 O2 57.36(11) . . . ? O1 C2 O2 171.4(3) . . . ? O1 C2 O3 90.9(2) . . . ? O1 C2 O3 90.9(2) . . . ? O1 C2 O3 53.7(2) . . . ? O1 C2 O4 86.1(2) . . . ? O1 C2 N1 40.9(2) . . . ? O1 C2 N2 18.6(3) . . . ? O1 C2 N3 74.0(2) . . . ? O1 C2 N3 74.0(2) . . . ? O1 C2 C1 10.2(2) . . . ? O1 C2 C3 100.7(4) . . . ? O1 C2 C4 70.8(3) . . . ? O1 C2 C5 81.8(2) . . . ? O1 C2 C6 137.1(5) . . . ? O1 C2 H1 43.8 . . . no O1 C2 H1 117.3 . . . no O1 C2 H1 117.3 . . . no O1 C2 H2 125.2 . . . no O1 C2 H2 75.2 . . . no O1 C2 H2 75.2 . . . no O1 C2 H3 96.2 . . . no O1 C2 H5 162.9 . . . no O1 C2 H6 117.1 . . . no O1 C2 H6 117.1 . . . no O2 C2 O2 111.4(2) . . . ? O2 C2 O2 120.6(2) . . . ? O2 C2 O3 33.81(11) . . . ? O2 C2 O3 144.1(2) . . . ? O2 C2 O3 79.2(2) . . . ? O2 C2 O4 97.3(2) . . . ? O2 C2 N1 59.01(11) . . . ? O2 C2 N2 62.7(2) . . . ? O2 C2 N3 18.25(11) . . . ? O2 C2 N3 123.2(2) . . . ? O2 C2 C1 55.97(11) . . . ? O2 C2 C3 86.5(2) . . . ? O2 C2 C4 70.6(2) . . . ? O2 C2 C5 76.2(1) . . . ? O2 C2 C6 120.4(2) . . . ? O2 C2 H1 74.0 . . . no O2 C2 H1 60.6 . . . no O2 C2 H1 151.7 . . . no O2 C2 H2 100.2 . . . no O2 C2 H2 42.6 . . . no O2 C2 H2 128.7 . . . no O2 C2 H3 84.0 . . . no O2 C2 H5 124.3 . . . no O2 C2 H6 96.3 . . . no O2 C2 H6 130.8 . . . no O2 C2 O2 120.6(2) 1_565 1_565 1_565 ? O2 C2 O3 144.1(2) 1_565 1_565 1_565 ? O2 C2 O3 33.80(11) 1_565 1_565 1_565 ? O2 C2 O3 79.2(2) 1_565 1_565 1_565 ? O2 C2 O4 97.3(2) 1_565 1_565 1_565 ? O2 C2 N1 58.98(11) 1_565 1_565 1_565 ? O2 C2 N2 62.7(2) 1_565 1_565 1_565 ? O2 C2 N3 123.2(2) 1_565 1_565 1_565 ? O2 C2 N3 18.24(11) 1_565 1_565 1_565 ? O2 C2 C1 55.95(11) 1_565 1_565 1_565 ? O2 C2 C3 86.5(2) 1_565 1_565 1_565 ? O2 C2 C4 70.6(2) 1_565 1_565 1_565 ? O2 C2 C5 76.2(1) 1_565 1_565 1_565 ? O2 C2 C6 120.5(2) 1_565 1_565 1_565 ? O2 C2 H1 74.0 1_565 1_565 1_565 no O2 C2 H1 151.7 1_565 1_565 1_565 no O2 C2 H1 60.6 1_565 1_565 1_565 no O2 C2 H2 100.2 1_565 1_565 1_565 no O2 C2 H2 128.7 1_565 1_565 1_565 no O2 C2 H2 42.6 1_565 1_565 1_565 no O2 C2 H3 84.0 1_565 1_565 1_565 no O2 C2 H5 124.3 1_565 1_565 1_565 no O2 C2 H6 130.8 1_565 1_565 1_565 no O2 C2 H6 96.3 1_565 1_565 1_565 no O2 C2 O3 88.1(2) 4_655 4_655 4_655 ? O2 C2 O3 88.1(2) 4_655 4_655 4_655 ? O2 C2 O3 134.9(2) 4_655 4_655 4_655 ? O2 C2 O4 102.5(2) 4_655 4_655 4_655 ? O2 C2 N1 130.6(3) 4_655 4_655 4_655 ? O2 C2 N2 170.0(5) 4_655 4_655 4_655 ? O2 C2 N3 103.0(2) 4_655 4_655 4_655 ? O2 C2 N3 103.0(2) 4_655 4_655 4_655 ? O2 C2 C1 161.3(4) 4_655 4_655 4_655 ? O2 C2 C3 70.7(4) 4_655 4_655 4_655 ? O2 C2 C4 100.6(3) 4_655 4_655 4_655 ? O2 C2 C5 89.6(2) 4_655 4_655 4_655 ? O2 C2 C6 51.4(4) 4_655 4_655 4_655 ? O2 C2 H1 144.7 4_655 4_655 4_655 no O2 C2 H1 60.0 4_655 4_655 4_655 no O2 C2 H1 60.0 4_655 4_655 4_655 no O2 C2 H2 46.3 4_655 4_655 4_655 no O2 C2 H2 109.1 4_655 4_655 4_655 no O2 C2 H2 109.1 4_655 4_655 4_655 no O2 C2 H3 75.3 4_655 4_655 4_655 no O2 C2 H5 25.6 4_655 4_655 4_655 no O2 C2 H6 70.9 4_655 4_655 4_655 no O2 C2 H6 70.9 4_655 4_655 4_655 no O3 C2 O3 166.6(3) . . . ? O3 C2 O3 95.9(2) . . . ? O3 C2 O4 96.7(2) . . . ? O3 C2 N1 86.3(2) . . . ? O3 C2 N2 93.0(2) . . . ? O3 C2 N3 21.12(11) . . . ? O3 C2 N3 150.1(3) . . . ? O3 C2 C1 89.7(2) . . . ? O3 C2 C3 83.3(2) . . . ? O3 C2 C4 84.0(2) . . . ? O3 C2 C5 83.5(2) . . . ? O3 C2 C6 93.9(2) . . . ? O3 C2 H1 95.3 . . . no O3 C2 H1 29.7 . . . no O3 C2 H1 141.3 . . . no O3 C2 H2 84.0 . . . no O3 C2 H2 40.9 . . . no O3 C2 H2 151.8 . . . no O3 C2 H3 83.3 . . . no O3 C2 H5 91.1 . . . no O3 C2 H6 76.2 . . . no O3 C2 H6 114.6 . . . no O3 C2 O3 95.9(2) 1_565 1_565 1_565 ? O3 C2 O4 96.7(2) 1_565 1_565 1_565 ? O3 C2 N1 86.3(2) 1_565 1_565 1_565 ? O3 C2 N2 93.0(2) 1_565 1_565 1_565 ? O3 C2 N3 150.1(3) 1_565 1_565 1_565 ? O3 C2 N3 21.11(11) 1_565 1_565 1_565 ? O3 C2 C1 89.7(2) 1_565 1_565 1_565 ? O3 C2 C3 83.3(2) 1_565 1_565 1_565 ? O3 C2 C4 84.0(2) 1_565 1_565 1_565 ? O3 C2 C5 83.5(2) 1_565 1_565 1_565 ? O3 C2 C6 93.9(2) 1_565 1_565 1_565 ? O3 C2 H1 95.3 1_565 1_565 1_565 no O3 C2 H1 141.3 1_565 1_565 1_565 no O3 C2 H1 29.7 1_565 1_565 1_565 no O3 C2 H2 84.0 1_565 1_565 1_565 no O3 C2 H2 151.8 1_565 1_565 1_565 no O3 C2 H2 40.9 1_565 1_565 1_565 no O3 C2 H3 83.3 1_565 1_565 1_565 no O3 C2 H5 91.1 1_565 1_565 1_565 no O3 C2 H6 114.6 1_565 1_565 1_565 no O3 C2 H6 76.2 1_565 1_565 1_565 no O3 C2 O4 32.36(12) 4_654 4_654 4_654 ? O3 C2 N1 94.6(2) 4_654 4_654 4_654 ? O3 C2 N2 35.1(3) 4_654 4_654 4_654 ? O3 C2 N3 95.5(2) 4_654 4_654 4_654 ? O3 C2 N3 95.5(2) 4_654 4_654 4_654 ? O3 C2 C1 63.9(3) 4_654 4_654 4_654 ? O3 C2 C3 154.4(5) 4_654 4_654 4_654 ? O3 C2 C4 124.5(3) 4_654 4_654 4_654 ? O3 C2 C5 135.5(2) 4_654 4_654 4_654 ? O3 C2 C6 83.4(5) 4_654 4_654 4_654 ? O3 C2 H1 9.9 4_654 4_654 4_654 no O3 C2 H1 121.9 4_654 4_654 4_654 no O3 C2 H1 121.9 4_654 4_654 4_654 no O3 C2 H2 178.9 4_654 4_654 4_654 no O3 C2 H2 56.0 4_654 4_654 4_654 no O3 C2 H2 56.0 4_654 4_654 4_654 no O3 C2 H3 149.9 4_654 4_654 4_654 no O3 C2 H5 109.2 4_654 4_654 4_654 no O3 C2 H6 66.6 4_654 4_654 4_654 no O3 C2 H6 66.6 4_654 4_654 4_654 no O4 C2 N1 126.9(3) 4_654 4_654 4_654 ? O4 C2 N2 67.5(4) 4_654 4_654 4_654 ? O4 C2 N3 107.5(2) 4_654 4_654 4_654 ? O4 C2 N3 107.5(2) 4_654 4_654 4_654 ? O4 C2 C1 96.2(3) 4_654 4_654 4_654 ? O4 C2 C3 173.2(5) 4_654 4_654 4_654 ? O4 C2 C4 156.9(3) 4_654 4_654 4_654 ? O4 C2 C5 167.9(3) 4_654 4_654 4_654 ? O4 C2 C6 51.0(4) 4_654 4_654 4_654 ? O4 C2 H1 42.2 4_654 4_654 4_654 no O4 C2 H1 110.4 4_654 4_654 4_654 no O4 C2 H1 110.4 4_654 4_654 4_654 no O4 C2 H2 148.8 4_654 4_654 4_654 no O4 C2 H2 58.5 4_654 4_654 4_654 no O4 C2 H2 58.5 4_654 4_654 4_654 no O4 C2 H3 177.8 4_654 4_654 4_654 no O4 C2 H5 76.9 4_654 4_654 4_654 no O4 C2 H6 37.4 4_654 4_654 4_654 no O4 C2 H6 37.4 4_654 4_654 4_654 no N1 C2 N2 59.5(3) . . . ? N1 C2 N3 65.28(13) . . . ? N1 C2 N3 65.26(13) . . . ? N1 C2 C1 30.7(2) . . . ? N1 C2 C3 59.8(4) . . . ? N1 C2 C4 30.0(2) . . . ? N1 C2 C5 41.0(2) . . . ? N1 C2 C6 178.0(6) . . . ? N1 C2 H1 84.7 . . . no N1 C2 H1 98.0 . . . no N1 C2 H1 97.9 . . . no N1 C2 H2 84.3 . . . no N1 C2 H2 97.9 . . . no N1 C2 H2 97.9 . . . no N1 C2 H3 55.3 . . . no N1 C2 H5 156.2 . . . no N1 C2 H6 152.3 . . . no N1 C2 H6 152.3 . . . no N2 C2 N3 80.9(2) . . . ? N2 C2 N3 80.8(2) . . . ? N2 C2 C1 28.8(3) . . . ? N2 C2 C3 119.3(6) . . . ? N2 C2 C4 89.4(4) . . . ? N2 C2 C5 100.4(4) . . . ? N2 C2 C6 118.5(7) . . . ? N2 C2 H1 25.2 . . . no N2 C2 H1 122.4 . . . no N2 C2 H1 122.4 . . . no N2 C2 H2 143.8 . . . no N2 C2 H2 66.2 . . . no N2 C2 H2 66.2 . . . no N2 C2 H3 114.8 . . . no N2 C2 H5 144.3 . . . no N2 C2 H6 99.7 . . . no N2 C2 H6 99.7 . . . no N3 C2 N3 130.0(3) . . . ? N3 C2 C1 70.9(2) . . . ? N3 C2 C3 74.7(2) . . . ? N3 C2 C4 66.8(1) . . . ? N3 C2 C5 69.1(2) . . . ? N3 C2 C6 114.84(13) . . . ? N3 C2 H1 91.3 . . . no N3 C2 H1 43.3 . . . no N3 C2 H1 140.9 . . . no N3 C2 H2 84.1 . . . no N3 C2 H2 49.1 . . . no N3 C2 H2 147.0 . . . no N3 C2 H3 73.2 . . . no N3 C2 H5 111.0 . . . no N3 C2 H6 95.3 . . . no N3 C2 H6 133.6 . . . no N3 C2 C1 70.8(2) 1_565 1_565 1_565 ? N3 C2 C3 74.7(2) 1_565 1_565 1_565 ? N3 C2 C4 66.8(1) 1_565 1_565 1_565 ? N3 C2 C5 69.1(2) 1_565 1_565 1_565 ? N3 C2 C6 114.87(13) 1_565 1_565 1_565 ? N3 C2 H1 91.3 1_565 1_565 1_565 no N3 C2 H1 140.9 1_565 1_565 1_565 no N3 C2 H1 43.3 1_565 1_565 1_565 no N3 C2 H2 84.1 1_565 1_565 1_565 no N3 C2 H2 147.0 1_565 1_565 1_565 no N3 C2 H2 49.1 1_565 1_565 1_565 no N3 C2 H3 73.2 1_565 1_565 1_565 no N3 C2 H5 111.0 1_565 1_565 1_565 no N3 C2 H6 133.6 1_565 1_565 1_565 no N3 C2 H6 95.3 1_565 1_565 1_565 no C1 C2 C3 90.5(5) . . . ? C1 C2 C4 60.6(3) . . . ? C1 C2 C5 71.6(3) . . . ? C1 C2 C6 147.3(6) . . . ? C1 C2 H1 54.0 . . . no C1 C2 H1 113.3 . . . no C1 C2 H1 113.2 . . . no C1 C2 H2 115.0 . . . no C1 C2 H2 80.7 . . . no C1 C2 H2 80.7 . . . no C1 C2 H3 86.0 . . . no C1 C2 H5 173.1 . . . no C1 C2 H6 126.5 . . . no C1 C2 H6 126.5 . . . no C3 C2 C4 29.9(4) . . . ? C3 C2 C5 18.9(4) . . . ? C3 C2 C6 122.2(7) . . . ? C3 C2 H1 144.5 . . . no C3 C2 H1 66.6 . . . no C3 C2 H1 66.6 . . . no C3 C2 H2 24.5 . . . no C3 C2 H2 123.0 . . . no C3 C2 H2 123.0 . . . no C3 C2 H3 4.5 . . . no C3 C2 H5 96.4 . . . no C3 C2 H6 136.7 . . . no C3 C2 H6 136.7 . . . no C4 C2 C5 11.0(2) . . . ? C4 C2 C6 152.1(6) . . . ? C4 C2 H1 114.7 . . . no C4 C2 H1 81.4 . . . no C4 C2 H1 81.4 . . . no C4 C2 H2 54.4 . . . no C4 C2 H2 113.2 . . . no C4 C2 H2 113.2 . . . no C4 C2 H3 25.3 . . . no C4 C2 H5 126.3 . . . no C4 C2 H6 158.6 . . . no C4 C2 H6 158.6 . . . no C5 C2 C6 141.1(5) . . . ? C5 C2 H1 125.7 . . . no C5 C2 H1 75.5 . . . no C5 C2 H1 75.5 . . . no C5 C2 H2 43.4 . . . no C5 C2 H2 117.7 . . . no C5 C2 H2 117.6 . . . no C5 C2 H3 14.3 . . . no C5 C2 H5 115.3 . . . no C5 C2 H6 152.1 . . . no C5 C2 H6 152.1 . . . no C6 C2 H1 93.3 . . . no C6 C2 H1 83.2 . . . no C6 C2 H1 83.2 . . . no C6 C2 H2 97.7 . . . no C6 C2 H2 81.0 . . . no C6 C2 H2 81.0 . . . no C6 C2 H3 126.7 . . . no C6 C2 H5 25.8 . . . no C6 C2 H6 26.3 . . . no C6 C2 H6 26.3 . . . no H1 C2 H1 123.4 . . . no H1 C2 H1 123.4 . . . no H1 C2 H2 169.0 . . . no H1 C2 H2 57.7 . . . no H1 C2 H2 57.7 . . . no H1 C2 H3 140.0 . . . no H1 C2 H5 119.1 . . . no H1 C2 H6 75.9 . . . no H1 C2 H6 75.8 . . . no H1 C2 H1 112.2 4_655 4_655 4_655 no H1 C2 H2 58.4 4_655 4_655 4_655 no H1 C2 H2 66.0 4_655 4_655 4_655 no H1 C2 H2 164.1 4_655 4_655 4_655 no H1 C2 H3 68.6 4_655 4_655 4_655 no H1 C2 H5 69.8 4_655 4_655 4_655 no H1 C2 H6 77.4 4_655 4_655 4_655 no H1 C2 H6 109.1 4_655 4_655 4_655 no H1 C2 H2 58.4 4_665 4_665 4_665 no H1 C2 H2 164.1 4_665 4_665 4_665 no H1 C2 H2 66.1 4_665 4_665 4_665 no H1 C2 H3 68.5 4_665 4_665 4_665 no H1 C2 H5 69.9 4_665 4_665 4_665 no H1 C2 H6 109.2 4_665 4_665 4_665 no H1 C2 H6 77.4 4_665 4_665 4_665 no H2 C2 H2 124.1 . . . no H2 C2 H2 124.1 . . . no H2 C2 H3 29.0 . . . no H2 C2 H5 71.9 . . . no H2 C2 H6 114.4 . . . no H2 C2 H6 114.4 . . . no H2 C2 H2 111.0 4_654 4_654 4_654 no H2 C2 H3 122.0 4_654 4_654 4_654 no H2 C2 H5 95.5 4_654 4_654 4_654 no H2 C2 H6 55.0 4_654 4_654 4_654 no H2 C2 H6 88.2 4_654 4_654 4_654 no H2 C2 H3 122.0 4_664 4_664 4_664 no H2 C2 H5 95.5 4_664 4_664 4_664 no H2 C2 H6 88.3 4_664 4_664 4_664 no H2 C2 H6 55.0 4_664 4_664 4_664 no H3 C2 H5 100.9 . . . no H3 C2 H6 140.7 . . . no H3 C2 H6 140.7 . . . no H5 C2 H6 47.3 . . . no H5 C2 H6 47.3 . . . no H6 C2 H6 38.4 . . . no O1 C3 O2 52.64(10) . . . ? O1 C3 O2 52.63(10) . . . ? O1 C3 O2 148.0(2) . . . ? O1 C3 O3 81.2(2) . . . ? O1 C3 O3 81.1(2) . . . ? O1 C3 O3 176.7(2) . . . ? O1 C3 O4 78.9(1) . . . ? O1 C3 O4 78.9(1) . . . ? O1 C3 N1 30.4(2) . . . ? O1 C3 N2 29.8(2) . . . ? O1 C3 N2 125.15(11) . . . ? O1 C3 N2 125.14(11) . . . ? O1 C3 N3 69.1(2) . . . ? O1 C3 N3 69.1(2) . . . ? O1 C3 N3 165.4(2) . . . ? O1 C3 C1 0.4(2) . . . ? O1 C3 C2 59.8(4) . . . ? O1 C3 C4 60.9(5) . . . ? O1 C3 C5 91.2(3) . . . ? O1 C3 C6 90.2(3) . . . ? O1 C3 C7 40.7(2) . . . ? O1 C3 H1 38.8 . . . no O1 C3 H1 113.1 . . . no O1 C3 H1 113.1 . . . no O1 C3 H2 179.3 . . . no O1 C3 H3 113.2 . . . no O1 C3 H4 86.5 . . . no O1 C3 H4 86.5 . . . no O1 C3 H5 111.5 . . . no O1 C3 H6 83.2 . . . no O1 C3 H6 83.2 . . . no O1 C3 H6 121.3 . . . no O1 C3 H6 121.3 . . . no O2 C3 O2 105.2(2) . . . ? O2 C3 O2 121.99(11) . . . ? O2 C3 O3 32.33(10) . . . ? O2 C3 O3 132.3(2) . . . ? O2 C3 O3 127.17(10) . . . ? O2 C3 O4 32.00(11) . . . ? O2 C3 O4 126.3(2) . . . ? O2 C3 N1 57.47(12) . . . ? O2 C3 N2 59.15(13) . . . ? O2 C3 N2 73.98(9) . . . ? O2 C3 N2 170.3(2) . . . ? O2 C3 N3 16.50(10) . . . ? O2 C3 N3 121.4(2) . . . ? O2 C3 N3 126.46(10) . . . ? O2 C3 C1 52.63(10) . . . ? O2 C3 C2 73.7(3) . . . ? O2 C3 C4 71.4(3) . . . ? O2 C3 C5 89.1(2) . . . ? O2 C3 C6 91.7(2) . . . ? O2 C3 C7 61.42(13) . . . ? O2 C3 H1 62.9 . . . no O2 C3 H1 61.6 . . . no O2 C3 H1 163.8 . . . no O2 C3 H2 127.4 . . . no O2 C3 H3 102.3 . . . no O2 C3 H4 74.8 . . . no O2 C3 H4 97.7 . . . no O2 C3 H5 104.4 . . . no O2 C3 H6 77.7 . . . no O2 C3 H6 97.1 . . . no O2 C3 H6 74.9 . . . no O2 C3 H6 149.8 . . . no O2 C3 O2 122.01(11) 1_565 1_565 1_565 ? O2 C3 O3 132.3(2) 1_565 1_565 1_565 ? O2 C3 O3 32.33(10) 1_565 1_565 1_565 ? O2 C3 O3 127.18(10) 1_565 1_565 1_565 ? O2 C3 O4 126.3(2) 1_565 1_565 1_565 ? O2 C3 O4 31.99(11) 1_565 1_565 1_565 ? O2 C3 N1 57.45(12) 1_565 1_565 1_565 ? O2 C3 N2 59.16(13) 1_565 1_565 1_565 ? O2 C3 N2 170.3(2) 1_565 1_565 1_565 ? O2 C3 N2 73.98(9) 1_565 1_565 1_565 ? O2 C3 N3 121.4(2) 1_565 1_565 1_565 ? O2 C3 N3 16.49(10) 1_565 1_565 1_565 ? O2 C3 N3 126.48(10) 1_565 1_565 1_565 ? O2 C3 C1 52.62(10) 1_565 1_565 1_565 ? O2 C3 C2 73.7(3) 1_565 1_565 1_565 ? O2 C3 C4 71.3(3) 1_565 1_565 1_565 ? O2 C3 C5 89.1(2) 1_565 1_565 1_565 ? O2 C3 C6 91.8(2) 1_565 1_565 1_565 ? O2 C3 C7 61.40(13) 1_565 1_565 1_565 ? O2 C3 H1 62.9 1_565 1_565 1_565 no O2 C3 H1 163.8 1_565 1_565 1_565 no O2 C3 H1 61.6 1_565 1_565 1_565 no O2 C3 H2 127.4 1_565 1_565 1_565 no O2 C3 H3 102.3 1_565 1_565 1_565 no O2 C3 H4 97.7 1_565 1_565 1_565 no O2 C3 H4 74.8 1_565 1_565 1_565 no O2 C3 H5 104.4 1_565 1_565 1_565 no O2 C3 H6 97.1 1_565 1_565 1_565 no O2 C3 H6 77.8 1_565 1_565 1_565 no O2 C3 H6 149.8 1_565 1_565 1_565 no O2 C3 H6 74.9 1_565 1_565 1_565 no O2 C3 O3 89.8(1) 4_655 4_655 4_655 ? O2 C3 O3 89.8(1) 4_655 4_655 4_655 ? O2 C3 O3 35.23(13) 4_655 4_655 4_655 ? O2 C3 O4 111.24(13) 4_655 4_655 4_655 ? O2 C3 O4 111.26(13) 4_655 4_655 4_655 ? O2 C3 N1 178.4(3) 4_655 4_655 4_655 ? O2 C3 N2 118.3(3) 4_655 4_655 4_655 ? O2 C3 N2 53.74(9) 4_655 4_655 4_655 ? O2 C3 N2 53.76(9) 4_655 4_655 4_655 ? O2 C3 N3 109.6(1) 4_655 4_655 4_655 ? O2 C3 N3 109.6(1) 4_655 4_655 4_655 ? O2 C3 N3 17.33(11) 4_655 4_655 4_655 ? O2 C3 C1 148.5(3) 4_655 4_655 4_655 ? O2 C3 C2 88.2(4) 4_655 4_655 4_655 ? O2 C3 C4 151.1(6) 4_655 4_655 4_655 ? O2 C3 C5 120.8(3) 4_655 4_655 4_655 ? O2 C3 C6 57.8(2) 4_655 4_655 4_655 ? O2 C3 C7 171.2(3) 4_655 4_655 4_655 ? O2 C3 H1 109.3 4_655 4_655 4_655 no O2 C3 H1 64.9 4_655 4_655 4_655 no O2 C3 H1 64.9 4_655 4_655 4_655 no O2 C3 H2 31.2 4_655 4_655 4_655 no O2 C3 H3 98.7 4_655 4_655 4_655 no O2 C3 H4 124.3 4_655 4_655 4_655 no O2 C3 H4 124.3 4_655 4_655 4_655 no O2 C3 H5 36.5 4_655 4_655 4_655 no O2 C3 H6 65.6 4_655 4_655 4_655 no O2 C3 H6 65.6 4_655 4_655 4_655 no O2 C3 H6 79.2 4_655 4_655 4_655 no O2 C3 H6 79.2 4_655 4_655 4_655 no O3 C3 O3 145.6(3) . . . ? O3 C3 O3 99.7(1) . . . ? O3 C3 O4 36.76(11) . . . ? O3 C3 O4 158.6(2) . . . ? O3 C3 N1 89.7(2) . . . ? O3 C3 N2 75.0(2) . . . ? O3 C3 N2 44.00(12) . . . ? O3 C3 N2 143.0(2) . . . ? O3 C3 N3 21.61(11) . . . ? O3 C3 N3 148.3(3) . . . ? O3 C3 N3 94.9(1) . . . ? O3 C3 C1 81.3(2) . . . ? O3 C3 C2 72.8(2) . . . ? O3 C3 C4 98.4(2) . . . ? O3 C3 C5 104.8(1) . . . ? O3 C3 C6 75.4(2) . . . ? O3 C3 C7 92.8(2) . . . ? O3 C3 H1 73.9 . . . no O3 C3 H1 32.1 . . . no O3 C3 H1 151.6 . . . no O3 C3 H2 98.7 . . . no O3 C3 H3 107.0 . . . no O3 C3 H4 89.9 . . . no O3 C3 H4 118.2 . . . no O3 C3 H5 79.7 . . . no O3 C3 H6 62.3 . . . no O3 C3 H6 86.5 . . . no O3 C3 H6 61.6 . . . no O3 C3 H6 151.3 . . . no O3 C3 O3 99.7(1) 1_565 1_565 1_565 ? O3 C3 O4 158.6(2) 1_565 1_565 1_565 ? O3 C3 O4 36.75(11) 1_565 1_565 1_565 ? O3 C3 N1 89.7(2) 1_565 1_565 1_565 ? O3 C3 N2 75.0(2) 1_565 1_565 1_565 ? O3 C3 N2 143.0(2) 1_565 1_565 1_565 ? O3 C3 N2 44.01(12) 1_565 1_565 1_565 ? O3 C3 N3 148.3(3) 1_565 1_565 1_565 ? O3 C3 N3 21.61(11) 1_565 1_565 1_565 ? O3 C3 N3 94.9(1) 1_565 1_565 1_565 ? O3 C3 C1 81.3(2) 1_565 1_565 1_565 ? O3 C3 C2 72.8(2) 1_565 1_565 1_565 ? O3 C3 C4 98.4(2) 1_565 1_565 1_565 ? O3 C3 C5 104.8(1) 1_565 1_565 1_565 ? O3 C3 C6 75.4(2) 1_565 1_565 1_565 ? O3 C3 C7 92.7(2) 1_565 1_565 1_565 ? O3 C3 H1 73.9 1_565 1_565 1_565 no O3 C3 H1 151.6 1_565 1_565 1_565 no O3 C3 H1 32.1 1_565 1_565 1_565 no O3 C3 H2 98.7 1_565 1_565 1_565 no O3 C3 H3 107.0 1_565 1_565 1_565 no O3 C3 H4 118.2 1_565 1_565 1_565 no O3 C3 H4 89.8 1_565 1_565 1_565 no O3 C3 H5 79.7 1_565 1_565 1_565 no O3 C3 H6 86.5 1_565 1_565 1_565 no O3 C3 H6 62.3 1_565 1_565 1_565 no O3 C3 H6 151.3 1_565 1_565 1_565 no O3 C3 H6 61.6 1_565 1_565 1_565 no O3 C3 O4 99.9(2) 4_655 4_655 4_655 ? O3 C3 O4 99.9(2) 4_655 4_655 4_655 ? O3 C3 N1 146.3(3) 4_655 4_655 4_655 ? O3 C3 N2 153.5(3) 4_655 4_655 4_655 ? O3 C3 N2 55.69(10) 4_655 4_655 4_655 ? O3 C3 N2 55.70(10) 4_655 4_655 4_655 ? O3 C3 N3 110.7(2) 4_655 4_655 4_655 ? O3 C3 N3 110.7(2) 4_655 4_655 4_655 ? O3 C3 N3 17.90(11) 4_655 4_655 4_655 ? O3 C3 C1 176.3(3) 4_655 4_655 4_655 ? O3 C3 C2 123.5(5) 4_655 4_655 4_655 ? O3 C3 C4 115.8(6) 4_655 4_655 4_655 ? O3 C3 C5 85.6(3) 4_655 4_655 4_655 ? O3 C3 C6 93.1(3) 4_655 4_655 4_655 ? O3 C3 C7 136.0(3) 4_655 4_655 4_655 ? O3 C3 H1 144.5 4_655 4_655 4_655 no O3 C3 H1 67.6 4_655 4_655 4_655 no O3 C3 H1 67.6 4_655 4_655 4_655 no O3 C3 H2 4.0 4_655 4_655 4_655 no O3 C3 H3 63.5 4_655 4_655 4_655 no O3 C3 H4 90.3 4_655 4_655 4_655 no O3 C3 H4 90.3 4_655 4_655 4_655 no O3 C3 H5 71.8 4_655 4_655 4_655 no O3 C3 H6 100.0 4_655 4_655 4_655 no O3 C3 H6 100.0 4_655 4_655 4_655 no O3 C3 H6 56.9 4_655 4_655 4_655 no O3 C3 H6 56.9 4_655 4_655 4_655 no O4 C3 O4 130.1(2) . . . ? O4 C3 N1 69.13(13) . . . ? O4 C3 N2 91.1(2) . . . ? O4 C3 N2 57.59(10) . . . ? O4 C3 N2 154.7(2) . . . ? O4 C3 N3 20.43(11) . . . ? O4 C3 N3 138.8(2) . . . ? O4 C3 N3 106.4(1) . . . ? O4 C3 C1 78.7(2) . . . ? O4 C3 C2 103.1(2) . . . ? O4 C3 C4 65.08(12) . . . ? O4 C3 C5 68.2(1) . . . ? O4 C3 C6 112.1(2) . . . ? O4 C3 C7 66.99(12) . . . ? O4 C3 H1 94.8 . . . no O4 C3 H1 47.3 . . . no O4 C3 H1 163.7 . . . no O4 C3 H2 101.4 . . . no O4 C3 H3 74.4 . . . no O4 C3 H4 53.2 . . . no O4 C3 H4 81.5 . . . no O4 C3 H5 114.8 . . . no O4 C3 H6 98.6 . . . no O4 C3 H6 122.2 . . . no O4 C3 H6 43.9 . . . no O4 C3 H6 124.3 . . . no O4 C3 N1 69.11(13) 1_565 1_565 1_565 ? O4 C3 N2 91.1(2) 1_565 1_565 1_565 ? O4 C3 N2 154.7(2) 1_565 1_565 1_565 ? O4 C3 N2 57.59(10) 1_565 1_565 1_565 ? O4 C3 N3 138.8(2) 1_565 1_565 1_565 ? O4 C3 N3 20.43(11) 1_565 1_565 1_565 ? O4 C3 N3 106.4(1) 1_565 1_565 1_565 ? O4 C3 C1 78.7(2) 1_565 1_565 1_565 ? O4 C3 C2 103.1(2) 1_565 1_565 1_565 ? O4 C3 C4 65.05(12) 1_565 1_565 1_565 ? O4 C3 C5 68.2(1) 1_565 1_565 1_565 ? O4 C3 C6 112.1(2) 1_565 1_565 1_565 ? O4 C3 C7 66.97(12) 1_565 1_565 1_565 ? O4 C3 H1 94.8 1_565 1_565 1_565 no O4 C3 H1 163.7 1_565 1_565 1_565 no O4 C3 H1 47.3 1_565 1_565 1_565 no O4 C3 H2 101.4 1_565 1_565 1_565 no O4 C3 H3 74.4 1_565 1_565 1_565 no O4 C3 H4 81.4 1_565 1_565 1_565 no O4 C3 H4 53.1 1_565 1_565 1_565 no O4 C3 H5 114.8 1_565 1_565 1_565 no O4 C3 H6 122.2 1_565 1_565 1_565 no O4 C3 H6 98.6 1_565 1_565 1_565 no O4 C3 H6 124.3 1_565 1_565 1_565 no O4 C3 H6 43.9 1_565 1_565 1_565 no N1 C3 N2 60.1(3) . . . ? N1 C3 N2 126.51(10) . . . ? N1 C3 N2 126.50(10) . . . ? N1 C3 N3 70.2(2) . . . ? N1 C3 N3 70.1(2) . . . ? N1 C3 N3 164.2(3) . . . ? N1 C3 C1 29.9(2) . . . ? N1 C3 C2 90.2(5) . . . ? N1 C3 C4 30.5(4) . . . ? N1 C3 C5 60.8(3) . . . ? N1 C3 C6 120.6(4) . . . ? N1 C3 C7 10.3(2) . . . ? N1 C3 H1 69.2 . . . no N1 C3 H1 115.2 . . . no N1 C3 H1 115.2 . . . no N1 C3 H2 150.4 . . . no N1 C3 H3 82.8 . . . no N1 C3 H4 57.2 . . . no N1 C3 H4 57.2 . . . no N1 C3 H5 141.9 . . . no N1 C3 H6 112.9 . . . no N1 C3 H6 112.9 . . . no N1 C3 H6 101.9 . . . no N1 C3 H6 101.9 . . . no N2 C3 N2 113.8(2) . . . ? N2 C3 N2 113.8(2) . . . ? N2 C3 N3 73.8(2) . . . ? N2 C3 N3 73.8(2) . . . ? N2 C3 N3 135.6(3) . . . ? N2 C3 C1 30.2(2) . . . ? N2 C3 C2 30.0(3) . . . ? N2 C3 C4 90.7(5) . . . ? N2 C3 C5 120.9(4) . . . ? N2 C3 C6 60.4(3) . . . ? N2 C3 C7 70.5(3) . . . ? N2 C3 H1 9.0 . . . no N2 C3 H1 104.7 . . . no N2 C3 H1 104.7 . . . no N2 C3 H2 149.5 . . . no N2 C3 H3 143.0 . . . no N2 C3 H4 115.3 . . . no N2 C3 H4 115.3 . . . no N2 C3 H5 81.8 . . . no N2 C3 H6 54.3 . . . no N2 C3 H6 54.3 . . . no N2 C3 H6 133.5 . . . no N2 C3 H6 133.5 . . . no N2 C3 N2 105.2(2) 4_655 4_655 4_655 ? N2 C3 N3 58.49(12) 4_655 4_655 4_655 ? N2 C3 N3 163.3(2) 4_655 4_655 4_655 ? N2 C3 N3 52.69(9) 4_655 4_655 4_655 ? N2 C3 C1 125.25(12) 4_655 4_655 4_655 ? N2 C3 C2 97.0(3) 4_655 4_655 4_655 ? N2 C3 C4 116.7(3) 4_655 4_655 4_655 ? N2 C3 C5 100.5(2) 4_655 4_655 4_655 ? N2 C3 C6 78.7(2) 4_655 4_655 4_655 ? N2 C3 C7 124.28(11) 4_655 4_655 4_655 ? N2 C3 H1 109.1 4_655 4_655 4_655 no N2 C3 H1 12.3 4_655 4_655 4_655 no N2 C3 H1 117.3 4_655 4_655 4_655 no N2 C3 H2 54.7 4_655 4_655 4_655 no N2 C3 H3 87.2 4_655 4_655 4_655 no N2 C3 H4 91.5 4_655 4_655 4_655 no N2 C3 H4 114.9 4_655 4_655 4_655 no N2 C3 H5 66.9 4_655 4_655 4_655 no N2 C3 H6 73.2 4_655 4_655 4_655 no N2 C3 H6 92.7 4_655 4_655 4_655 no N2 C3 H6 39.8 4_655 4_655 4_655 no N2 C3 H6 110.9 4_655 4_655 4_655 no N2 C3 N3 163.3(2) 4_665 4_665 4_665 ? N2 C3 N3 58.50(12) 4_665 4_665 4_665 ? N2 C3 N3 52.70(9) 4_665 4_665 4_665 ? N2 C3 C1 125.25(12) 4_665 4_665 4_665 ? N2 C3 C2 97.0(3) 4_665 4_665 4_665 ? N2 C3 C4 116.7(3) 4_665 4_665 4_665 ? N2 C3 C5 100.5(2) 4_665 4_665 4_665 ? N2 C3 C6 78.7(2) 4_665 4_665 4_665 ? N2 C3 C7 124.26(11) 4_665 4_665 4_665 ? N2 C3 H1 109.1 4_665 4_665 4_665 no N2 C3 H1 117.3 4_665 4_665 4_665 no N2 C3 H1 12.3 4_665 4_665 4_665 no N2 C3 H2 54.7 4_665 4_665 4_665 no N2 C3 H3 87.2 4_665 4_665 4_665 no N2 C3 H4 114.8 4_665 4_665 4_665 no N2 C3 H4 91.4 4_665 4_665 4_665 no N2 C3 H5 66.9 4_665 4_665 4_665 no N2 C3 H6 92.7 4_665 4_665 4_665 no N2 C3 H6 73.2 4_665 4_665 4_665 no N2 C3 H6 110.9 4_665 4_665 4_665 no N2 C3 H6 39.8 4_665 4_665 4_665 no N3 C3 N3 137.5(3) . . . ? N3 C3 N3 111.2(1) . . . ? N3 C3 C1 69.0(2) . . . ? N3 C3 C2 82.7(2) . . . ? N3 C3 C4 76.9(2) . . . ? N3 C3 C5 86.9(2) . . . ? N3 C3 C6 93.6(2) . . . ? N3 C3 C7 71.9(2) . . . ? N3 C3 H1 76.1 . . . no N3 C3 H1 46.3 . . . no N3 C3 H1 173.1 . . . no N3 C3 H2 111.0 . . . no N3 C3 H3 94.8 . . . no N3 C3 H4 71.8 . . . no N3 C3 H4 98.7 . . . no N3 C3 H5 100.8 . . . no N3 C3 H6 79.6 . . . no N3 C3 H6 102.4 . . . no N3 C3 H6 59.8 . . . no N3 C3 H6 144.7 . . . no N3 C3 N3 111.2(1) 1_565 1_565 1_565 ? N3 C3 C1 69.0(2) 1_565 1_565 1_565 ? N3 C3 C2 82.7(2) 1_565 1_565 1_565 ? N3 C3 C4 76.8(2) 1_565 1_565 1_565 ? N3 C3 C5 86.9(2) 1_565 1_565 1_565 ? N3 C3 C6 93.6(2) 1_565 1_565 1_565 ? N3 C3 C7 71.9(2) 1_565 1_565 1_565 ? N3 C3 H1 76.1 1_565 1_565 1_565 no N3 C3 H1 173.1 1_565 1_565 1_565 no N3 C3 H1 46.3 1_565 1_565 1_565 no N3 C3 H2 111.0 1_565 1_565 1_565 no N3 C3 H3 94.8 1_565 1_565 1_565 no N3 C3 H4 98.6 1_565 1_565 1_565 no N3 C3 H4 71.8 1_565 1_565 1_565 no N3 C3 H5 100.9 1_565 1_565 1_565 no N3 C3 H6 102.4 1_565 1_565 1_565 no N3 C3 H6 79.7 1_565 1_565 1_565 no N3 C3 H6 144.7 1_565 1_565 1_565 no N3 C3 H6 59.8 1_565 1_565 1_565 no N3 C3 C1 165.8(3) 4_655 4_655 4_655 ? N3 C3 C2 105.6(4) 4_655 4_655 4_655 ? N3 C3 C4 133.7(6) 4_655 4_655 4_655 ? N3 C3 C5 103.5(3) 4_655 4_655 4_655 ? N3 C3 C6 75.2(2) 4_655 4_655 4_655 ? N3 C3 C7 153.9(3) 4_655 4_655 4_655 ? N3 C3 H1 126.6 4_655 4_655 4_655 no N3 C3 H1 65.0 4_655 4_655 4_655 no N3 C3 H1 65.0 4_655 4_655 4_655 no N3 C3 H2 13.9 4_655 4_655 4_655 no N3 C3 H3 81.4 4_655 4_655 4_655 no N3 C3 H4 107.6 4_655 4_655 4_655 no N3 C3 H4 107.6 4_655 4_655 4_655 no N3 C3 H5 53.8 4_655 4_655 4_655 no N3 C3 H6 82.5 4_655 4_655 4_655 no N3 C3 H6 82.5 4_655 4_655 4_655 no N3 C3 H6 67.5 4_655 4_655 4_655 no N3 C3 H6 67.5 4_655 4_655 4_655 no C1 C3 C2 60.3(4) . . . ? C1 C3 C4 60.5(5) . . . ? C1 C3 C5 90.7(3) . . . ? C1 C3 C6 90.6(3) . . . ? C1 C3 C7 40.3(2) . . . ? C1 C3 H1 39.2 . . . no C1 C3 H1 113.2 . . . no C1 C3 H1 113.1 . . . no C1 C3 H2 179.7 . . . no C1 C3 H3 112.8 . . . no C1 C3 H4 86.1 . . . no C1 C3 H4 86.1 . . . no C1 C3 H5 112.0 . . . no C1 C3 H6 83.7 . . . no C1 C3 H6 83.6 . . . no C1 C3 H6 121.1 . . . no C1 C3 H6 121.1 . . . no C2 C3 C4 120.7(7) . . . ? C2 C3 C5 151.0(5) . . . ? C2 C3 C6 30.4(4) . . . ? C2 C3 C7 100.5(5) . . . ? C2 C3 H1 21.0 . . . no C2 C3 H1 92.7 . . . no C2 C3 H1 92.7 . . . no C2 C3 H2 119.4 . . . no C2 C3 H3 173.0 . . . no C2 C3 H4 143.6 . . . no C2 C3 H4 143.6 . . . no C2 C3 H5 51.7 . . . no C2 C3 H6 26.1 . . . no C2 C3 H6 26.1 . . . no C2 C3 H6 132.4 . . . no C2 C3 H6 132.4 . . . no C4 C3 C5 30.3(4) . . . ? C4 C3 C6 151.1(6) . . . ? C4 C3 C7 20.2(4) . . . ? C4 C3 H1 99.7 . . . no C4 C3 H1 110.0 . . . no C4 C3 H1 110.0 . . . no C4 C3 H2 119.8 . . . no C4 C3 H3 52.3 . . . no C4 C3 H4 29.1 . . . no C4 C3 H4 29.1 . . . no C4 C3 H5 172.4 . . . no C4 C3 H6 142.2 . . . no C4 C3 H6 142.2 . . . no C4 C3 H6 80.5 . . . no C4 C3 H6 80.5 . . . no C5 C3 C6 178.6(4) . . . ? C5 C3 C7 50.4(3) . . . ? C5 C3 H1 129.9 . . . no C5 C3 H1 99.5 . . . no C5 C3 H1 99.5 . . . no C5 C3 H2 89.6 . . . no C5 C3 H3 22.1 . . . no C5 C3 H4 15.1 . . . no C5 C3 H4 15.1 . . . no C5 C3 H5 157.3 . . . no C5 C3 H6 166.5 . . . no C5 C3 H6 166.5 . . . no C5 C3 H6 60.8 . . . no C5 C3 H6 60.7 . . . no C6 C3 C7 130.9(3) . . . ? C6 C3 H1 51.4 . . . no C6 C3 H1 79.9 . . . no C6 C3 H1 79.9 . . . no C6 C3 H2 89.1 . . . no C6 C3 H3 156.6 . . . no C6 C3 H4 165.2 . . . no C6 C3 H4 165.2 . . . no C6 C3 H5 21.3 . . . no C6 C3 H6 14.1 . . . no C6 C3 H6 14.1 . . . no C6 C3 H6 118.4 . . . no C6 C3 H6 118.5 . . . no C7 C3 H1 79.5 . . . no C7 C3 H1 114.2 . . . no C7 C3 H1 114.2 . . . no C7 C3 H2 140.0 . . . no C7 C3 H3 72.5 . . . no C7 C3 H4 47.4 . . . no C7 C3 H4 47.4 . . . no C7 C3 H5 152.2 . . . no C7 C3 H6 122.9 . . . no C7 C3 H6 122.9 . . . no C7 C3 H6 94.7 . . . no C7 C3 H6 94.7 . . . no H1 C3 H1 101.3 . . . no H1 C3 H1 101.4 . . . no H1 C3 H2 140.5 . . . no H1 C3 H3 152.0 . . . no H1 C3 H4 123.9 . . . no H1 C3 H4 123.9 . . . no H1 C3 H5 72.8 . . . no H1 C3 H6 45.6 . . . no H1 C3 H6 45.6 . . . no H1 C3 H6 134.8 . . . no H1 C3 H6 134.8 . . . no H1 C3 H1 129.3 4_655 4_655 4_655 no H1 C3 H2 66.8 4_655 4_655 4_655 no H1 C3 H3 90.3 4_655 4_655 4_655 no H1 C3 H4 88.1 4_655 4_655 4_655 no H1 C3 H4 114.6 4_655 4_655 4_655 no H1 C3 H5 72.2 4_655 4_655 4_655 no H1 C3 H6 71.8 4_655 4_655 4_655 no H1 C3 H6 93.9 4_655 4_655 4_655 no H1 C3 H6 40.5 4_655 4_655 4_655 no H1 C3 H6 121.3 4_655 4_655 4_655 no H1 C3 H2 66.8 4_665 4_665 4_665 no H1 C3 H3 90.3 4_665 4_665 4_665 no H1 C3 H4 114.6 4_665 4_665 4_665 no H1 C3 H4 88.1 4_665 4_665 4_665 no H1 C3 H5 72.3 4_665 4_665 4_665 no H1 C3 H6 94.0 4_665 4_665 4_665 no H1 C3 H6 71.8 4_665 4_665 4_665 no H1 C3 H6 121.3 4_665 4_665 4_665 no H1 C3 H6 40.5 4_665 4_665 4_665 no H2 C3 H3 67.5 . . . no H2 C3 H4 94.2 . . . no H2 C3 H4 94.2 . . . no H2 C3 H5 67.7 . . . no H2 C3 H6 96.1 . . . no H2 C3 H6 96.1 . . . no H2 C3 H6 59.1 . . . no H2 C3 H6 59.1 . . . no H3 C3 H4 30.2 . . . no H3 C3 H4 30.2 . . . no H3 C3 H5 135.3 . . . no H3 C3 H6 159.8 . . . no H3 C3 H6 159.8 . . . no H3 C3 H6 49.9 . . . no H3 C3 H6 49.9 . . . no H4 C3 H4 28.8 . . . no H4 C3 H5 157.1 . . . no H4 C3 H6 151.4 . . . no H4 C3 H6 169.5 . . . no H4 C3 H6 52.6 . . . no H4 C3 H6 75.2 . . . no H4 C3 H5 157.1 7 7 7 no H4 C3 H6 169.5 7 7 7 no H4 C3 H6 151.4 7 7 7 no H4 C3 H6 75.2 7 7 7 no H4 C3 H6 52.6 7 7 7 no H5 C3 H6 30.8 . . . no H5 C3 H6 30.8 . . . no H5 C3 H6 104.7 . . . no H5 C3 H6 104.7 . . . no H6 C3 H6 24.4 . . . no H6 C3 H6 112.1 . . . no H6 C3 H6 132.5 . . . no H6 C3 H6 132.5 7 7 7 no H6 C3 H6 112.1 7 7 7 no H6 C3 H6 90.1 4_655 4_655 4_655 no O1 C4 O2 57.74(13) . . . ? O1 C4 O2 57.73(13) . . . ? O1 C4 O3 81.7(2) . . . ? O1 C4 O3 81.7(2) . . . ? O1 C4 O4 90.6(2) . . . ? O1 C4 O4 90.5(2) . . . ? O1 C4 N1 19.2(3) . . . ? O1 C4 N2 40.4(2) . . . ? O1 C4 N3 75.3(2) . . . ? O1 C4 N3 75.3(2) . . . ? O1 C4 C1 9.4(2) . . . ? O1 C4 C2 69.8(3) . . . ? O1 C4 C3 99.2(5) . . . ? O1 C4 C5 139.2(5) . . . ? O1 C4 C6 80.5(2) . . . ? O1 C4 C7 49.5(3) . . . ? O1 C4 C8 58.0(2) . . . ? O1 C4 C8 58.0(2) . . . ? O1 C4 H1 40.7 . . . no O1 C4 H2 123.3 . . . no O1 C4 H3 166.1 . . . no O1 C4 H4 122.0 . . . no O1 C4 H4 122.0 . . . no O1 C4 H5 94.3 . . . no O1 C4 H6 134.9 . . . no O1 C4 H6 134.9 . . . no O1 C4 H7 60.7 . . . no O1 C4 H7 60.7 . . . no O2 C4 O2 113.9(3) . . . ? O2 C4 O3 32.83(10) . . . ? O2 C4 O3 124.6(2) . . . ? O2 C4 O4 34.04(12) . . . ? O2 C4 O4 147.8(3) . . . ? O2 C4 N1 62.2(2) . . . ? O2 C4 N2 61.3(1) . . . ? O2 C4 N3 18.33(11) . . . ? O2 C4 N3 129.0(3) . . . ? O2 C4 C1 56.98(13) . . . ? O2 C4 C2 73.1(2) . . . ? O2 C4 C3 88.5(3) . . . ? O2 C4 C5 118.5(2) . . . ? O2 C4 C6 78.5(2) . . . ? O2 C4 C7 74.9(2) . . . ? O2 C4 C8 60.4(2) . . . ? O2 C4 C8 95.8(2) . . . ? O2 C4 H1 61.4 . . . no O2 C4 H2 101.5 . . . no O2 C4 H3 123.0 . . . no O2 C4 H4 92.7 . . . no O2 C4 H4 133.6 . . . no O2 C4 H5 85.8 . . . no O2 C4 H6 77.2 . . . no O2 C4 H6 162.0 . . . no O2 C4 H7 45.7 . . . no O2 C4 H7 108.5 . . . no O2 C4 O3 124.6(2) 1_565 1_565 1_565 ? O2 C4 O3 32.84(10) 1_565 1_565 1_565 ? O2 C4 O4 147.8(3) 1_565 1_565 1_565 ? O2 C4 O4 34.04(12) 1_565 1_565 1_565 ? O2 C4 N1 62.2(2) 1_565 1_565 1_565 ? O2 C4 N2 61.4(1) 1_565 1_565 1_565 ? O2 C4 N3 129.0(3) 1_565 1_565 1_565 ? O2 C4 N3 18.33(11) 1_565 1_565 1_565 ? O2 C4 C1 56.98(13) 1_565 1_565 1_565 ? O2 C4 C2 73.2(2) 1_565 1_565 1_565 ? O2 C4 C3 88.6(3) 1_565 1_565 1_565 ? O2 C4 C5 118.5(2) 1_565 1_565 1_565 ? O2 C4 C6 78.5(2) 1_565 1_565 1_565 ? O2 C4 C7 74.8(2) 1_565 1_565 1_565 ? O2 C4 C8 95.8(2) 1_565 1_565 1_565 ? O2 C4 C8 60.4(2) 1_565 1_565 1_565 ? O2 C4 H1 61.5 1_565 1_565 1_565 no O2 C4 H2 101.5 1_565 1_565 1_565 no O2 C4 H3 123.0 1_565 1_565 1_565 no O2 C4 H4 133.6 1_565 1_565 1_565 no O2 C4 H4 92.6 1_565 1_565 1_565 no O2 C4 H5 85.9 1_565 1_565 1_565 no O2 C4 H6 162.0 1_565 1_565 1_565 no O2 C4 H6 77.2 1_565 1_565 1_565 no O2 C4 H7 108.5 1_565 1_565 1_565 no O2 C4 H7 45.7 1_565 1_565 1_565 no O3 C4 O3 114.4(2) . . . ? O3 C4 O4 34.82(12) . . . ? O3 C4 O4 149.2(3) . . . ? O3 C4 N1 92.1(3) . . . ? O3 C4 N2 63.35(13) . . . ? O3 C4 N3 19.31(11) . . . ? O3 C4 N3 129.7(2) . . . ? O3 C4 C1 76.8(2) . . . ? O3 C4 C2 57.30(11) . . . ? O3 C4 C3 60.5(2) . . . ? O3 C4 C5 116.8(2) . . . ? O3 C4 C6 57.38(11) . . . ? O3 C4 C7 107.6(2) . . . ? O3 C4 C8 91.6(2) . . . ? O3 C4 C8 128.6(2) . . . ? O3 C4 H1 63.2 . . . no O3 C4 H2 69.1 . . . no O3 C4 H3 105.4 . . . no O3 C4 H4 98.6 . . . no O3 C4 H4 142.6 . . . no O3 C4 H5 59.3 . . . no O3 C4 H6 57.1 . . . no O3 C4 H6 129.3 . . . no O3 C4 H7 75.4 . . . no O3 C4 H7 140.0 . . . no O3 C4 O4 149.2(3) 1_565 1_565 1_565 ? O3 C4 O4 34.83(12) 1_565 1_565 1_565 ? O3 C4 N1 92.0(3) 1_565 1_565 1_565 ? O3 C4 N2 63.36(13) 1_565 1_565 1_565 ? O3 C4 N3 129.7(2) 1_565 1_565 1_565 ? O3 C4 N3 19.32(11) 1_565 1_565 1_565 ? O3 C4 C1 76.8(2) 1_565 1_565 1_565 ? O3 C4 C2 57.32(11) 1_565 1_565 1_565 ? O3 C4 C3 60.5(2) 1_565 1_565 1_565 ? O3 C4 C5 116.8(2) 1_565 1_565 1_565 ? O3 C4 C6 57.40(11) 1_565 1_565 1_565 ? O3 C4 C7 107.6(2) 1_565 1_565 1_565 ? O3 C4 C8 128.6(2) 1_565 1_565 1_565 ? O3 C4 C8 91.6(2) 1_565 1_565 1_565 ? O3 C4 H1 63.3 1_565 1_565 1_565 no O3 C4 H2 69.1 1_565 1_565 1_565 no O3 C4 H3 105.4 1_565 1_565 1_565 no O3 C4 H4 142.6 1_565 1_565 1_565 no O3 C4 H4 98.6 1_565 1_565 1_565 no O3 C4 H5 59.3 1_565 1_565 1_565 no O3 C4 H6 129.3 1_565 1_565 1_565 no O3 C4 H6 57.1 1_565 1_565 1_565 no O3 C4 H7 140.0 1_565 1_565 1_565 no O3 C4 H7 75.4 1_565 1_565 1_565 no O4 C4 O4 176.0(4) . . . ? O4 C4 N1 89.9(2) . . . ? O4 C4 N2 91.7(2) . . . ? O4 C4 N3 21.36(12) . . . ? O4 C4 N3 162.0(3) . . . ? O4 C4 C1 90.9(2) . . . ? O4 C4 C2 92.0(2) . . . ? O4 C4 C3 91.8(2) . . . ? O4 C4 C5 88.3(2) . . . ? O4 C4 C6 92.0(2) . . . ? O4 C4 C7 88.9(2) . . . ? O4 C4 C8 68.0(2) . . . ? O4 C4 C8 109.5(2) . . . ? O4 C4 H1 91.7 . . . no O4 C4 H2 91.3 . . . no O4 C4 H3 89.0 . . . no O4 C4 H4 65.6 . . . no O4 C4 H4 110.7 . . . no O4 C4 H5 91.9 . . . no O4 C4 H6 45.3 . . . no O4 C4 H6 134.1 . . . no O4 C4 H7 51.6 . . . no O4 C4 H7 126.1 . . . no O4 C4 N1 89.9(2) 1_565 1_565 1_565 ? O4 C4 N2 91.7(2) 1_565 1_565 1_565 ? O4 C4 N3 162.0(3) 1_565 1_565 1_565 ? O4 C4 N3 21.37(12) 1_565 1_565 1_565 ? O4 C4 C1 90.9(2) 1_565 1_565 1_565 ? O4 C4 C2 92.0(2) 1_565 1_565 1_565 ? O4 C4 C3 91.8(2) 1_565 1_565 1_565 ? O4 C4 C5 88.3(2) 1_565 1_565 1_565 ? O4 C4 C6 92.0(2) 1_565 1_565 1_565 ? O4 C4 C7 88.9(2) 1_565 1_565 1_565 ? O4 C4 C8 109.5(2) 1_565 1_565 1_565 ? O4 C4 C8 67.9(2) 1_565 1_565 1_565 ? O4 C4 H1 91.7 1_565 1_565 1_565 no O4 C4 H2 91.3 1_565 1_565 1_565 no O4 C4 H3 89.0 1_565 1_565 1_565 no O4 C4 H4 110.7 1_565 1_565 1_565 no O4 C4 H4 65.5 1_565 1_565 1_565 no O4 C4 H5 91.9 1_565 1_565 1_565 no O4 C4 H6 134.1 1_565 1_565 1_565 no O4 C4 H6 45.4 1_565 1_565 1_565 no O4 C4 H7 126.1 1_565 1_565 1_565 no O4 C4 H7 51.6 1_565 1_565 1_565 no N1 C4 N2 59.6(4) . . . ? N1 C4 N3 80.5(2) . . . ? N1 C4 N3 80.4(2) . . . ? N1 C4 C1 28.6(3) . . . ? N1 C4 C2 89.0(5) . . . ? N1 C4 C3 118.5(7) . . . ? N1 C4 C5 119.9(6) . . . ? N1 C4 C6 99.8(4) . . . ? N1 C4 C7 30.2(3) . . . ? N1 C4 C8 41.0(3) . . . ? N1 C4 C8 41.0(3) . . . ? N1 C4 H1 59.9 . . . no N1 C4 H2 142.6 . . . no N1 C4 H3 146.8 . . . no N1 C4 H4 104.5 . . . no N1 C4 H4 104.5 . . . no N1 C4 H5 113.5 . . . no N1 C4 H6 134.6 . . . no N1 C4 H6 134.6 . . . no N1 C4 H7 48.0 . . . no N1 C4 H7 48.0 . . . no N2 C4 N3 70.3(2) . . . ? N2 C4 N3 70.4(2) . . . ? N2 C4 C1 31.0(2) . . . ? N2 C4 C2 29.4(2) . . . ? N2 C4 C3 58.8(4) . . . ? N2 C4 C5 179.5(6) . . . ? N2 C4 C6 40.1(2) . . . ? N2 C4 C7 89.8(3) . . . ? N2 C4 C8 95.4(3) . . . ? N2 C4 C8 95.4(3) . . . ? N2 C4 H1 0.3 . . . no N2 C4 H2 82.9 . . . no N2 C4 H3 153.5 . . . no N2 C4 H4 153.3 . . . no N2 C4 H4 153.3 . . . no N2 C4 H5 53.9 . . . no N2 C4 H6 117.8 . . . no N2 C4 H6 117.9 . . . no N2 C4 H7 91.9 . . . no N2 C4 H7 92.0 . . . no N3 C4 N3 140.7(3) . . . ? N3 C4 C1 73.4(2) . . . ? N3 C4 C2 72.8(2) . . . ? N3 C4 C3 79.7(2) . . . ? N3 C4 C5 109.7(2) . . . ? N3 C4 C6 74.9(2) . . . ? N3 C4 C7 90.2(2) . . . ? N3 C4 C8 72.7(2) . . . ? N3 C4 C8 111.8(2) . . . ? N3 C4 H1 70.3 . . . no N3 C4 H2 87.3 . . . no N3 C4 H3 107.4 . . . no N3 C4 H4 86.6 . . . no N3 C4 H4 131.5 . . . no N3 C4 H5 78.3 . . . no N3 C4 H6 59.7 . . . no N3 C4 H6 144.5 . . . no N3 C4 H7 56.3 . . . no N3 C4 H7 125.8 . . . no N3 C4 C1 73.4(2) 1_565 1_565 1_565 ? N3 C4 C2 72.8(2) 1_565 1_565 1_565 ? N3 C4 C3 79.8(2) 1_565 1_565 1_565 ? N3 C4 C5 109.6(2) 1_565 1_565 1_565 ? N3 C4 C6 74.9(2) 1_565 1_565 1_565 ? N3 C4 C7 90.2(2) 1_565 1_565 1_565 ? N3 C4 C8 111.7(2) 1_565 1_565 1_565 ? N3 C4 C8 72.7(2) 1_565 1_565 1_565 ? N3 C4 H1 70.4 1_565 1_565 1_565 no N3 C4 H2 87.4 1_565 1_565 1_565 no N3 C4 H3 107.4 1_565 1_565 1_565 no N3 C4 H4 131.5 1_565 1_565 1_565 no N3 C4 H4 86.6 1_565 1_565 1_565 no N3 C4 H5 78.4 1_565 1_565 1_565 no N3 C4 H6 144.5 1_565 1_565 1_565 no N3 C4 H6 59.7 1_565 1_565 1_565 no N3 C4 H7 125.8 1_565 1_565 1_565 no N3 C4 H7 56.3 1_565 1_565 1_565 no C1 C4 C2 60.4(3) . . . ? C1 C4 C3 89.8(5) . . . ? C1 C4 C5 148.5(6) . . . ? C1 C4 C6 71.1(3) . . . ? C1 C4 C7 58.8(3) . . . ? C1 C4 C8 66.5(3) . . . ? C1 C4 C8 66.5(3) . . . ? C1 C4 H1 31.3 . . . no C1 C4 H2 114.0 . . . no C1 C4 H3 175.5 . . . no C1 C4 H4 130.2 . . . no C1 C4 H4 130.2 . . . no C1 C4 H5 84.9 . . . no C1 C4 H6 132.7 . . . no C1 C4 H6 132.7 . . . no C1 C4 H7 67.6 . . . no C1 C4 H7 67.6 . . . no C2 C4 C3 29.4(4) . . . ? C2 C4 C5 151.0(6) . . . ? C2 C4 C6 10.7(2) . . . ? C2 C4 C7 119.3(4) . . . ? C2 C4 C8 122.6(3) . . . ? C2 C4 C8 122.7(3) . . . ? C2 C4 H1 29.1 . . . no C2 C4 H2 53.5 . . . no C2 C4 H3 124.1 . . . no C2 C4 H4 153.2 . . . no C2 C4 H4 153.2 . . . no C2 C4 H5 24.5 . . . no C2 C4 H6 98.1 . . . no C2 C4 H6 98.1 . . . no C2 C4 H7 114.9 . . . no C2 C4 H7 114.9 . . . no C3 C4 C5 121.6(8) . . . ? C3 C4 C6 18.7(4) . . . ? C3 C4 C7 148.7(7) . . . ? C3 C4 C8 147.7(5) . . . ? C3 C4 C8 147.7(5) . . . ? C3 C4 H1 58.5 . . . no C3 C4 H2 24.1 . . . no C3 C4 H3 94.7 . . . no C3 C4 H4 131.4 . . . no C3 C4 H4 131.4 . . . no C3 C4 H5 4.9 . . . no C3 C4 H6 77.3 . . . no C3 C4 H6 77.3 . . . no C3 C4 H7 134.3 . . . no C3 C4 H7 134.3 . . . no C5 C4 C6 140.3(5) . . . ? C5 C4 C7 89.7(5) . . . ? C5 C4 C8 84.1(4) . . . ? C5 C4 C8 84.1(4) . . . ? C5 C4 H1 179.9 . . . no C5 C4 H2 97.5 . . . no C5 C4 H3 26.9 . . . no C5 C4 H4 26.4 . . . no C5 C4 H4 26.4 . . . no C5 C4 H5 126.6 . . . no C5 C4 H6 62.4 . . . no C5 C4 H6 62.4 . . . no C5 C4 H7 87.7 . . . no C5 C4 H7 87.7 . . . no C6 C4 C7 130.0(4) . . . ? C6 C4 C8 132.2(3) . . . ? C6 C4 C8 132.2(3) . . . ? C6 C4 H1 39.8 . . . no C6 C4 H2 42.8 . . . no C6 C4 H3 113.4 . . . no C6 C4 H4 146.4 . . . no C6 C4 H4 146.4 . . . no C6 C4 H5 13.8 . . . no C6 C4 H6 90.5 . . . no C6 C4 H6 90.5 . . . no C6 C4 H7 122.6 . . . no C6 C4 H7 122.6 . . . no C7 C4 C8 21.59(13) . . . ? C7 C4 C8 21.59(13) . . . ? C7 C4 H1 90.2 . . . no C7 C4 H2 172.8 . . . no C7 C4 H3 116.6 . . . no C7 C4 H4 76.7 . . . no C7 C4 H4 76.7 . . . no C7 C4 H5 143.7 . . . no C7 C4 H6 122.8 . . . no C7 C4 H6 122.8 . . . no C7 C4 H7 37.3 . . . no C7 C4 H7 37.3 . . . no C8 C4 C8 41.6(2) . . . ? C8 C4 H1 95.7 . . . no C8 C4 H2 159.2 . . . no C8 C4 H3 109.3 . . . no C8 C4 H4 64.1 . . . no C8 C4 H4 80.5 . . . no C8 C4 H5 143.8 . . . no C8 C4 H6 102.1 . . . no C8 C4 H6 134.9 . . . no C8 C4 H7 16.7 . . . no C8 C4 H7 58.1 . . . no C8 C4 H1 95.7 7 7 7 no C8 C4 H2 159.2 7 7 7 no C8 C4 H3 109.2 7 7 7 no C8 C4 H4 80.5 7 7 7 no C8 C4 H4 64.1 7 7 7 no C8 C4 H5 143.9 7 7 7 no C8 C4 H6 135.0 7 7 7 no C8 C4 H6 102.1 7 7 7 no C8 C4 H7 58.1 7 7 7 no C8 C4 H7 16.7 7 7 7 no H1 C4 H2 82.6 . . . no H1 C4 H3 153.2 . . . no H1 C4 H4 153.5 . . . no H1 C4 H4 153.5 . . . no H1 C4 H5 53.6 . . . no H1 C4 H6 117.6 . . . no H1 C4 H6 117.7 . . . no H1 C4 H7 92.2 . . . no H1 C4 H7 92.2 . . . no H2 C4 H3 70.6 . . . no H2 C4 H4 109.9 . . . no H2 C4 H4 109.9 . . . no H2 C4 H5 29.0 . . . no H2 C4 H6 61.4 . . . no H2 C4 H6 61.4 . . . no H2 C4 H7 142.5 . . . no H2 C4 H7 142.5 . . . no H3 C4 H4 45.9 . . . no H3 C4 H4 45.9 . . . no H3 C4 H5 99.6 . . . no H3 C4 H6 48.8 . . . no H3 C4 H6 48.8 . . . no H3 C4 H7 108.9 . . . no H3 C4 H7 108.9 . . . no H4 C4 H4 45.1 . . . no H4 C4 H5 135.6 . . . no H4 C4 H6 55.9 . . . no H4 C4 H6 88.7 . . . no H4 C4 H7 63.4 . . . no H4 C4 H7 91.0 . . . no H4 C4 H5 135.6 7 7 7 no H4 C4 H6 88.7 7 7 7 no H4 C4 H6 55.9 7 7 7 no H4 C4 H7 91.0 7 7 7 no H4 C4 H7 63.4 7 7 7 no H5 C4 H6 80.7 . . . no H5 C4 H6 80.7 . . . no H5 C4 H7 131.5 . . . no H5 C4 H7 131.5 . . . no H6 C4 H6 88.9 4_655 4_655 4_655 no H6 C4 H7 89.4 4_655 4_655 4_655 no H6 C4 H7 146.9 4_655 4_655 4_655 no H6 C4 H7 146.9 6_655 6_655 6_655 no H6 C4 H7 89.4 6_655 6_655 6_655 no H7 C4 H7 74.5 . . . no CL1 C5 CL1 105.1(2) 3_647 3_647 3_647 ? CL1 C5 O1 65.98(12) 3_647 3_647 3_647 ? CL1 C5 O4 60.80(10) 3_647 3_647 3_647 ? CL1 C5 O4 165.6(2) 3_647 3_647 3_647 ? CL1 C5 N1 120.5(2) 3_647 3_647 3_647 ? CL1 C5 C1 123.66(12) 3_647 3_647 3_647 ? CL1 C5 C2 126.24(10) 3_647 3_647 3_647 ? CL1 C5 C3 123.86(12) 3_647 3_647 3_647 ? CL1 C5 C4 127.29(10) 3_647 3_647 3_647 ? CL1 C5 C7 105.5(2) 3_647 3_647 3_647 ? CL1 C5 C8 83.7(2) 3_647 3_647 3_647 ? CL1 C5 C8 115.1(2) 3_647 3_647 3_647 ? CL1 C5 H2 115.6 3_647 3_647 3_647 no CL1 C5 H3 81.3 3_647 3_647 3_647 no CL1 C5 H4 29.2 3_647 3_647 3_647 no CL1 C5 H4 114.5 3_647 3_647 3_647 no CL1 C5 H6 50.8 3_647 3_647 3_647 no CL1 C5 H6 128.3 3_647 3_647 3_647 no CL1 C5 H7 75.4 3_647 3_647 3_647 no CL1 C5 H7 129.7 3_647 3_647 3_647 no CL1 C5 H8 73.7 3_647 3_647 3_647 no CL1 C5 H8 40.3 3_647 3_647 3_647 no CL1 C5 O1 65.99(12) 3_657 3_657 3_657 ? CL1 C5 O4 165.6(2) 3_657 3_657 3_657 ? CL1 C5 O4 60.79(10) 3_657 3_657 3_657 ? CL1 C5 N1 120.5(2) 3_657 3_657 3_657 ? CL1 C5 C1 123.66(12) 3_657 3_657 3_657 ? CL1 C5 C2 126.26(10) 3_657 3_657 3_657 ? CL1 C5 C3 123.88(12) 3_657 3_657 3_657 ? CL1 C5 C4 127.30(10) 3_657 3_657 3_657 ? CL1 C5 C7 105.5(2) 3_657 3_657 3_657 ? CL1 C5 C8 115.1(2) 3_657 3_657 3_657 ? CL1 C5 C8 83.7(2) 3_657 3_657 3_657 ? CL1 C5 H2 115.7 3_657 3_657 3_657 no CL1 C5 H3 81.3 3_657 3_657 3_657 no CL1 C5 H4 114.5 3_657 3_657 3_657 no CL1 C5 H4 29.2 3_657 3_657 3_657 no CL1 C5 H6 128.3 3_657 3_657 3_657 no CL1 C5 H6 50.8 3_657 3_657 3_657 no CL1 C5 H7 129.7 3_657 3_657 3_657 no CL1 C5 H7 75.4 3_657 3_657 3_657 no CL1 C5 H8 40.3 3_657 3_657 3_657 no CL1 C5 H8 73.7 3_657 3_657 3_657 no O1 C5 O4 107.5(2) 1_556 1_556 1_556 ? O1 C5 O4 107.5(2) 1_556 1_556 1_556 ? O1 C5 N1 165.3(3) 1_556 1_556 1_556 ? O1 C5 C1 156.3(3) 1_556 1_556 1_556 ? O1 C5 C2 118.7(3) 1_556 1_556 1_556 ? O1 C5 C3 108.5(3) 1_556 1_556 1_556 ? O1 C5 C4 136.6(5) 1_556 1_556 1_556 ? O1 C5 C7 164.1(3) 1_556 1_556 1_556 ? O1 C5 C8 147.8(2) 1_556 1_556 1_556 ? O1 C5 C8 147.8(2) 1_556 1_556 1_556 ? O1 C5 H2 87.4 1_556 1_556 1_556 no O1 C5 H3 27.6 1_556 1_556 1_556 no O1 C5 H4 94.6 1_556 1_556 1_556 no O1 C5 H4 94.6 1_556 1_556 1_556 no O1 C5 H6 62.4 1_556 1_556 1_556 no O1 C5 H6 62.4 1_556 1_556 1_556 no O1 C5 H7 141.3 1_556 1_556 1_556 no O1 C5 H7 141.3 1_556 1_556 1_556 no O1 C5 H8 74.6 1_556 1_556 1_556 no O1 C5 H8 74.5 1_556 1_556 1_556 no O4 C5 O4 133.0(3) . . . ? O4 C5 N1 69.0(2) . . . ? O4 C5 C1 67.6(2) . . . ? O4 C5 C2 68.1(1) . . . ? O4 C5 C3 69.9(2) . . . ? O4 C5 C4 66.5(1) . . . ? O4 C5 C7 77.4(2) . . . ? O4 C5 C8 62.9(2) . . . ? O4 C5 C8 99.3(2) . . . ? O4 C5 H2 75.7 . . . no O4 C5 H3 98.4 . . . no O4 C5 H4 51.9 . . . no O4 C5 H4 150.5 . . . no O4 C5 H6 46.5 . . . no O4 C5 H6 139.2 . . . no O4 C5 H7 47.3 . . . no O4 C5 H7 110.6 . . . no O4 C5 H8 126.7 . . . no O4 C5 H8 92.3 . . . no O4 C5 N1 69.0(2) 1_565 1_565 1_565 ? O4 C5 C1 67.6(2) 1_565 1_565 1_565 ? O4 C5 C2 68.1(1) 1_565 1_565 1_565 ? O4 C5 C3 70.0(2) 1_565 1_565 1_565 ? O4 C5 C4 66.5(1) 1_565 1_565 1_565 ? O4 C5 C7 77.4(2) 1_565 1_565 1_565 ? O4 C5 C8 99.3(2) 1_565 1_565 1_565 ? O4 C5 C8 62.9(2) 1_565 1_565 1_565 ? O4 C5 H2 75.7 1_565 1_565 1_565 no O4 C5 H3 98.4 1_565 1_565 1_565 no O4 C5 H4 150.5 1_565 1_565 1_565 no O4 C5 H4 51.9 1_565 1_565 1_565 no O4 C5 H6 139.2 1_565 1_565 1_565 no O4 C5 H6 46.5 1_565 1_565 1_565 no O4 C5 H7 110.6 1_565 1_565 1_565 no O4 C5 H7 47.3 1_565 1_565 1_565 no O4 C5 H8 92.3 1_565 1_565 1_565 no O4 C5 H8 126.7 1_565 1_565 1_565 no N1 C5 C1 9.0(2) . . . ? N1 C5 C2 46.6(2) . . . ? N1 C5 C3 56.8(3) . . . ? N1 C5 C4 28.7(4) . . . ? N1 C5 C7 30.6(2) . . . ? N1 C5 C8 44.5(2) . . . ? N1 C5 C8 44.5(2) . . . ? N1 C5 H2 77.9 . . . no N1 C5 H3 137.7 . . . no N1 C5 H4 93.9 . . . no N1 C5 H4 93.9 . . . no N1 C5 H6 110.2 . . . no N1 C5 H6 110.2 . . . no N1 C5 H7 46.8 . . . no N1 C5 H7 46.8 . . . no N1 C5 H8 119.3 . . . no N1 C5 H8 119.3 . . . no C1 C5 C2 37.6(2) . . . ? C1 C5 C3 47.8(2) . . . ? C1 C5 C4 19.7(4) . . . ? C1 C5 C7 39.6(2) . . . ? C1 C5 C8 52.5(2) . . . ? C1 C5 C8 52.6(2) . . . ? C1 C5 H2 68.8 . . . no C1 C5 H3 128.7 . . . no C1 C5 H4 99.1 . . . no C1 C5 H4 99.2 . . . no C1 C5 H6 105.1 . . . no C1 C5 H6 105.2 . . . no C1 C5 H7 52.9 . . . no C1 C5 H7 52.9 . . . no C1 C5 H8 127.7 . . . no C1 C5 H8 127.7 . . . no C2 C5 C3 10.2(2) . . . ? C2 C5 C4 17.9(4) . . . ? C2 C5 C7 77.2(2) . . . ? C2 C5 C8 87.5(2) . . . ? C2 C5 C8 87.5(2) . . . ? C2 C5 H2 31.2 . . . no C2 C5 H3 91.1 . . . no C2 C5 H4 118.0 . . . no C2 C5 H4 118.0 . . . no C2 C5 H6 82.4 . . . no C2 C5 H6 82.4 . . . no C2 C5 H7 82.4 . . . no C2 C5 H7 82.4 . . . no C2 C5 H8 158.5 . . . no C2 C5 H8 158.5 . . . no C3 C5 C4 28.1(4) . . . ? C3 C5 C7 87.4(3) . . . ? C3 C5 C8 97.1(3) . . . ? C3 C5 C8 97.1(3) . . . ? C3 C5 H2 21.1 . . . no C3 C5 H3 80.9 . . . no C3 C5 H4 121.6 . . . no C3 C5 H4 121.6 . . . no C3 C5 H6 76.3 . . . no C3 C5 H6 76.3 . . . no C3 C5 H7 90.8 . . . no C3 C5 H7 90.8 . . . no C3 C5 H8 162.2 . . . no C3 C5 H8 162.2 . . . no C4 C5 C7 59.3(4) . . . ? C4 C5 C8 70.7(4) . . . ? C4 C5 C8 70.7(4) . . . ? C4 C5 H2 49.2 . . . no C4 C5 H3 109.0 . . . no C4 C5 H4 109.8 . . . no C4 C5 H4 109.8 . . . no C4 C5 H6 93.4 . . . no C4 C5 H6 93.4 . . . no C4 C5 H7 67.8 . . . no C4 C5 H7 67.8 . . . no C4 C5 H8 145.3 . . . no C4 C5 H8 145.3 . . . no C7 C5 C8 22.05(13) . . . ? C7 C5 C8 22.05(13) . . . ? C7 C5 H2 108.4 . . . no C7 C5 H3 168.3 . . . no C7 C5 H4 76.3 . . . no C7 C5 H4 76.3 . . . no C7 C5 H6 123.8 . . . no C7 C5 H6 123.8 . . . no C7 C5 H7 34.3 . . . no C7 C5 H7 34.3 . . . no C7 C5 H8 90.3 . . . no C7 C5 H8 90.3 . . . no C8 C5 C8 39.3(2) . . . ? C8 C5 H2 116.8 . . . no C8 C5 H3 160.3 . . . no C8 C5 H4 54.5 . . . no C8 C5 H4 88.0 . . . no C8 C5 H6 107.1 . . . no C8 C5 H6 145.6 . . . no C8 C5 H7 15.6 . . . no C8 C5 H7 54.2 . . . no C8 C5 H8 87.1 . . . no C8 C5 H8 75.2 . . . no C8 C5 H2 116.8 7 7 7 no C8 C5 H3 160.3 7 7 7 no C8 C5 H4 88.0 7 7 7 no C8 C5 H4 54.5 7 7 7 no C8 C5 H6 145.6 7 7 7 no C8 C5 H6 107.1 7 7 7 no C8 C5 H7 54.2 7 7 7 no C8 C5 H7 15.6 7 7 7 no C8 C5 H8 75.2 7 7 7 no C8 C5 H8 87.1 7 7 7 no H2 C5 H3 59.8 . . . no H2 C5 H4 125.6 . . . no H2 C5 H4 125.6 . . . no H2 C5 H6 64.8 . . . no H2 C5 H6 64.9 . . . no H2 C5 H7 108.1 . . . no H2 C5 H7 108.1 . . . no H2 C5 H8 154.4 . . . no H2 C5 H8 154.4 . . . no H3 C5 H4 109.9 . . . no H3 C5 H4 109.9 . . . no H3 C5 H6 53.3 . . . no H3 C5 H6 53.3 . . . no H3 C5 H7 145.0 . . . no H3 C5 H7 145.0 . . . no H3 C5 H8 100.8 . . . no H3 C5 H8 100.8 . . . no H4 C5 H4 108.4 . . . no H4 C5 H6 68.5 . . . no H4 C5 H6 155.7 . . . no H4 C5 H7 47.3 . . . no H4 C5 H7 103.4 . . . no H4 C5 H8 74.8 . . . no H4 C5 H8 41.0 . . . no H4 C5 H6 155.7 7 7 7 no H4 C5 H6 68.4 7 7 7 no H4 C5 H7 103.4 7 7 7 no H4 C5 H7 47.3 7 7 7 no H4 C5 H8 41.0 7 7 7 no H4 C5 H8 74.8 7 7 7 no H6 C5 H6 104.1 4_655 4_655 4_655 no H6 C5 H7 91.8 4_655 4_655 4_655 no H6 C5 H7 156.3 4_655 4_655 4_655 no H6 C5 H8 119.1 4_655 4_655 4_655 no H6 C5 H8 90.4 4_655 4_655 4_655 no H6 C5 H7 156.3 6_655 6_655 6_655 no H6 C5 H7 91.8 6_655 6_655 6_655 no H6 C5 H8 90.4 6_655 6_655 6_655 no H6 C5 H8 119.1 6_655 6_655 6_655 no H7 C5 H7 68.3 . . . no H7 C5 H8 97.2 . . . no H7 C5 H8 77.6 . . . no H7 C5 H8 77.6 7 7 7 no H7 C5 H8 97.2 7 7 7 no H8 C5 H8 35.4 3_657 3_657 3_657 no CL1 C6 O1 69.12(12) 2_556 2_556 2_556 ? CL1 C6 O1 69.14(12) 2_556 2_556 2_556 ? CL1 C6 O2 75.5(2) 2_556 2_556 2_556 ? CL1 C6 O3 118.30(11) 2_556 2_556 2_556 ? CL1 C6 O3 118.32(11) 2_556 2_556 2_556 ? CL1 C6 O3 103.8(2) 2_556 2_556 2_556 ? CL1 C6 O4 70.4(2) 2_556 2_556 2_556 ? CL1 C6 N2 149.3(3) 2_556 2_556 2_556 ? CL1 C6 C1 157.9(3) 2_556 2_556 2_556 ? CL1 C6 C2 178.2(5) 2_556 2_556 2_556 ? CL1 C6 C3 154.4(3) 2_556 2_556 2_556 ? CL1 C6 C4 164.6(3) 2_556 2_556 2_556 ? CL1 C6 H1 127.6 2_556 2_556 2_556 no CL1 C6 H1 106.2 2_556 2_556 2_556 no CL1 C6 H1 106.3 2_556 2_556 2_556 no CL1 C6 H2 133.4 2_556 2_556 2_556 no CL1 C6 H2 102.1 2_556 2_556 2_556 no CL1 C6 H2 102.1 2_556 2_556 2_556 no CL1 C6 H3 69.3 2_556 2_556 2_556 no CL1 C6 H3 69.4 2_556 2_556 2_556 no CL1 C6 H4 52.0 2_556 2_556 2_556 no CL1 C6 H4 52.0 2_556 2_556 2_556 no CL1 C6 H5 71.6 2_556 2_556 2_556 no CL1 C6 H6 69.0 2_556 2_556 2_556 no CL1 C6 H6 69.0 2_556 2_556 2_556 no O1 C6 O1 114.9(2) 4_655 4_655 4_655 ? O1 C6 O2 61.33(12) 4_655 4_655 4_655 ? O1 C6 O3 53.22(10) 4_655 4_655 4_655 ? O1 C6 O3 151.7(2) 4_655 4_655 4_655 ? O1 C6 O3 118.48(12) 4_655 4_655 4_655 ? O1 C6 O4 105.1(1) 4_655 4_655 4_655 ? O1 C6 N2 120.82(11) 4_655 4_655 4_655 ? O1 C6 C1 118.83(12) 4_655 4_655 4_655 ? O1 C6 C2 111.7(2) 4_655 4_655 4_655 ? O1 C6 C3 98.5(2) 4_655 4_655 4_655 ? O1 C6 C4 103.7(2) 4_655 4_655 4_655 ? O1 C6 H1 122.5 4_655 4_655 4_655 no O1 C6 H1 37.8 4_655 4_655 4_655 no O1 C6 H1 124.7 4_655 4_655 4_655 no O1 C6 H2 87.2 4_655 4_655 4_655 no O1 C6 H2 67.0 4_655 4_655 4_655 no O1 C6 H2 168.2 4_655 4_655 4_655 no O1 C6 H3 41.5 4_655 4_655 4_655 no O1 C6 H3 138.0 4_655 4_655 4_655 no O1 C6 H4 56.6 4_655 4_655 4_655 no O1 C6 H4 120.0 4_655 4_655 4_655 no O1 C6 H5 60.3 4_655 4_655 4_655 no O1 C6 H6 62.1 4_655 4_655 4_655 no O1 C6 H6 135.3 4_655 4_655 4_655 no O1 C6 O2 61.33(12) 4_665 4_665 4_665 ? O1 C6 O3 151.7(2) 4_665 4_665 4_665 ? O1 C6 O3 53.22(9) 4_665 4_665 4_665 ? O1 C6 O3 118.47(12) 4_665 4_665 4_665 ? O1 C6 O4 105.1(1) 4_665 4_665 4_665 ? O1 C6 N2 120.80(11) 4_665 4_665 4_665 ? O1 C6 C1 118.81(12) 4_665 4_665 4_665 ? O1 C6 C2 111.6(2) 4_665 4_665 4_665 ? O1 C6 C3 98.5(2) 4_665 4_665 4_665 ? O1 C6 C4 103.7(2) 4_665 4_665 4_665 ? O1 C6 H1 122.5 4_665 4_665 4_665 no O1 C6 H1 124.7 4_665 4_665 4_665 no O1 C6 H1 37.8 4_665 4_665 4_665 no O1 C6 H2 87.2 4_665 4_665 4_665 no O1 C6 H2 168.2 4_665 4_665 4_665 no O1 C6 H2 67.0 4_665 4_665 4_665 no O1 C6 H3 138.0 4_665 4_665 4_665 no O1 C6 H3 41.5 4_665 4_665 4_665 no O1 C6 H4 120.0 4_665 4_665 4_665 no O1 C6 H4 56.7 4_665 4_665 4_665 no O1 C6 H5 60.3 4_665 4_665 4_665 no O1 C6 H6 135.3 4_665 4_665 4_665 no O1 C6 H6 62.1 4_665 4_665 4_665 no O2 C6 O3 92.9(2) 4_655 4_655 4_655 ? O2 C6 O3 93.0(2) 4_655 4_655 4_655 ? O2 C6 O3 179.3(3) 4_655 4_655 4_655 ? O2 C6 O4 145.9(3) 4_655 4_655 4_655 ? O2 C6 N2 135.1(3) 4_655 4_655 4_655 ? O2 C6 C1 126.6(3) 4_655 4_655 4_655 ? O2 C6 C2 106.3(5) 4_655 4_655 4_655 ? O2 C6 C3 78.9(3) 4_655 4_655 4_655 ? O2 C6 C4 89.1(2) 4_655 4_655 4_655 ? O2 C6 H1 156.9 4_655 4_655 4_655 no O2 C6 H1 64.2 4_655 4_655 4_655 no O2 C6 H1 64.3 4_655 4_655 4_655 no O2 C6 H2 57.8 4_655 4_655 4_655 no O2 C6 H2 125.4 4_655 4_655 4_655 no O2 C6 H2 125.4 4_655 4_655 4_655 no O2 C6 H3 101.9 4_655 4_655 4_655 no O2 C6 H3 101.9 4_655 4_655 4_655 no O2 C6 H4 108.2 4_655 4_655 4_655 no O2 C6 H4 108.3 4_655 4_655 4_655 no O2 C6 H5 3.9 4_655 4_655 4_655 no O2 C6 H6 120.6 4_655 4_655 4_655 no O2 C6 H6 120.6 4_655 4_655 4_655 no O3 C6 O3 122.7(2) . . . ? O3 C6 O3 87.4(1) . . . ? O3 C6 O4 103.0(2) . . . ? O3 C6 N2 68.13(13) . . . ? O3 C6 C1 65.61(12) . . . ? O3 C6 C2 61.86(12) . . . ? O3 C6 C3 62.77(12) . . . ? O3 C6 C4 61.61(11) . . . ? O3 C6 H1 76.5 . . . no O3 C6 H1 28.8 . . . no O3 C6 H1 122.6 . . . no O3 C6 H2 67.9 . . . no O3 C6 H2 39.2 . . . no O3 C6 H2 130.7 . . . no O3 C6 H3 54.0 . . . no O3 C6 H3 164.8 . . . no O3 C6 H4 77.2 . . . no O3 C6 H4 150.7 . . . no O3 C6 H5 94.8 . . . no O3 C6 H6 66.4 . . . no O3 C6 H6 145.8 . . . no O3 C6 O3 87.4(1) 1_565 1_565 1_565 ? O3 C6 O4 103.0(2) 1_565 1_565 1_565 ? O3 C6 N2 68.11(13) 1_565 1_565 1_565 ? O3 C6 C1 65.59(12) 1_565 1_565 1_565 ? O3 C6 C2 61.84(12) 1_565 1_565 1_565 ? O3 C6 C3 62.75(12) 1_565 1_565 1_565 ? O3 C6 C4 61.58(11) 1_565 1_565 1_565 ? O3 C6 H1 76.4 1_565 1_565 1_565 no O3 C6 H1 122.6 1_565 1_565 1_565 no O3 C6 H1 28.8 1_565 1_565 1_565 no O3 C6 H2 67.9 1_565 1_565 1_565 no O3 C6 H2 130.7 1_565 1_565 1_565 no O3 C6 H2 39.2 1_565 1_565 1_565 no O3 C6 H3 164.8 1_565 1_565 1_565 no O3 C6 H3 54.0 1_565 1_565 1_565 no O3 C6 H4 150.7 1_565 1_565 1_565 no O3 C6 H4 77.2 1_565 1_565 1_565 no O3 C6 H5 94.8 1_565 1_565 1_565 no O3 C6 H6 145.8 1_565 1_565 1_565 no O3 C6 H6 66.4 1_565 1_565 1_565 no O3 C6 O4 33.44(13) 4_654 4_654 4_654 ? O3 C6 N2 45.5(2) 4_654 4_654 4_654 ? O3 C6 C1 54.1(2) 4_654 4_654 4_654 ? O3 C6 C2 74.4(4) 4_654 4_654 4_654 ? O3 C6 C3 101.8(3) 4_654 4_654 4_654 ? O3 C6 C4 91.6(2) 4_654 4_654 4_654 ? O3 C6 H1 23.8 4_654 4_654 4_654 no O3 C6 H1 116.1 4_654 4_654 4_654 no O3 C6 H1 116.0 4_654 4_654 4_654 no O3 C6 H2 122.8 4_654 4_654 4_654 no O3 C6 H2 54.7 4_654 4_654 4_654 no O3 C6 H2 54.7 4_654 4_654 4_654 no O3 C6 H3 77.9 4_654 4_654 4_654 no O3 C6 H3 77.8 4_654 4_654 4_654 no O3 C6 H4 71.2 4_654 4_654 4_654 no O3 C6 H4 71.2 4_654 4_654 4_654 no O3 C6 H5 175.4 4_654 4_654 4_654 no O3 C6 H6 59.0 4_654 4_654 4_654 no O3 C6 H6 59.0 4_654 4_654 4_654 no O4 C6 N2 79.0(3) 4_654 4_654 4_654 ? O4 C6 C1 87.5(2) 4_654 4_654 4_654 ? O4 C6 C2 107.8(5) 4_654 4_654 4_654 ? O4 C6 C3 135.2(3) 4_654 4_654 4_654 ? O4 C6 C4 125.0(3) 4_654 4_654 4_654 ? O4 C6 H1 57.2 4_654 4_654 4_654 no O4 C6 H1 125.8 4_654 4_654 4_654 no O4 C6 H1 125.8 4_654 4_654 4_654 no O4 C6 H2 156.3 4_654 4_654 4_654 no O4 C6 H2 63.8 4_654 4_654 4_654 no O4 C6 H2 63.8 4_654 4_654 4_654 no O4 C6 H3 66.2 4_654 4_654 4_654 no O4 C6 H3 66.2 4_654 4_654 4_654 no O4 C6 H4 48.6 4_654 4_654 4_654 no O4 C6 H4 48.6 4_654 4_654 4_654 no O4 C6 H5 141.9 4_654 4_654 4_654 no O4 C6 H6 45.4 4_654 4_654 4_654 no O4 C6 H6 45.4 4_654 4_654 4_654 no N2 C6 C1 8.5(2) . . . ? N2 C6 C2 28.8(4) . . . ? N2 C6 C3 56.2(2) . . . ? N2 C6 C4 46.0(2) . . . ? N2 C6 H1 21.8 . . . no N2 C6 H1 91.4 . . . no N2 C6 H1 91.4 . . . no N2 C6 H2 77.3 . . . no N2 C6 H2 62.8 . . . no N2 C6 H2 62.8 . . . no N2 C6 H3 98.6 . . . no N2 C6 H3 98.5 . . . no N2 C6 H4 106.5 . . . no N2 C6 H4 106.5 . . . no N2 C6 H5 139.1 . . . no N2 C6 H6 89.6 . . . no N2 C6 H6 89.6 . . . no C1 C6 C2 20.3(4) . . . ? C1 C6 C3 47.7(2) . . . ? C1 C6 C4 37.5(2) . . . ? C1 C6 H1 30.3 . . . no C1 C6 H1 86.4 . . . no C1 C6 H1 86.4 . . . no C1 C6 H2 68.8 . . . no C1 C6 H2 66.5 . . . no C1 C6 H2 66.5 . . . no C1 C6 H3 102.3 . . . no C1 C6 H3 102.3 . . . no C1 C6 H4 112.9 . . . no C1 C6 H4 112.8 . . . no C1 C6 H5 130.6 . . . no C1 C6 H6 95.7 . . . no C1 C6 H6 95.7 . . . no C2 C6 C3 27.4(4) . . . ? C2 C6 C4 17.2(4) . . . ? C2 C6 H1 50.6 . . . no C2 C6 H1 74.8 . . . no C2 C6 H1 74.7 . . . no C2 C6 H2 48.5 . . . no C2 C6 H2 76.9 . . . no C2 C6 H2 76.9 . . . no C2 C6 H3 110.1 . . . no C2 C6 H3 110.0 . . . no C2 C6 H4 126.9 . . . no C2 C6 H4 126.9 . . . no C2 C6 H5 110.3 . . . no C2 C6 H6 109.8 . . . no C2 C6 H6 109.8 . . . no C3 C6 C4 10.2(2) . . . ? C3 C6 H1 78.0 . . . no C3 C6 H1 61.5 . . . no C3 C6 H1 61.5 . . . no C3 C6 H2 21.1 . . . no C3 C6 H2 92.6 . . . no C3 C6 H2 92.6 . . . no C3 C6 H3 116.7 . . . no C3 C6 H3 116.7 . . . no C3 C6 H4 139.8 . . . no C3 C6 H4 139.8 . . . no C3 C6 H5 82.8 . . . no C3 C6 H6 126.2 . . . no C3 C6 H6 126.2 . . . no C4 C6 H1 67.8 . . . no C4 C6 H1 65.9 . . . no C4 C6 H1 65.9 . . . no C4 C6 H2 31.3 . . . no C4 C6 H2 86.7 . . . no C4 C6 H2 86.7 . . . no C4 C6 H3 114.9 . . . no C4 C6 H3 114.9 . . . no C4 C6 H4 136.2 . . . no C4 C6 H4 136.2 . . . no C4 C6 H5 93.0 . . . no C4 C6 H6 120.7 . . . no C4 C6 H6 120.6 . . . no H1 C6 H1 104.0 . . . no H1 C6 H1 104.0 . . . no H1 C6 H2 99.1 . . . no H1 C6 H2 56.0 . . . no H1 C6 H2 56.0 . . . no H1 C6 H3 88.6 . . . no H1 C6 H3 88.5 . . . no H1 C6 H4 89.6 . . . no H1 C6 H4 89.6 . . . no H1 C6 H5 160.8 . . . no H1 C6 H6 74.3 . . . no H1 C6 H6 74.3 . . . no H1 C6 H1 107.5 4_655 4_655 4_655 no H1 C6 H2 55.2 4_655 4_655 4_655 no H1 C6 H2 64.5 4_655 4_655 4_655 no H1 C6 H2 151.6 4_655 4_655 4_655 no H1 C6 H3 62.8 4_655 4_655 4_655 no H1 C6 H3 166.1 4_655 4_655 4_655 no H1 C6 H4 85.5 4_655 4_655 4_655 no H1 C6 H4 157.8 4_655 4_655 4_655 no H1 C6 H5 66.1 4_655 4_655 4_655 no H1 C6 H6 81.8 4_655 4_655 4_655 no H1 C6 H6 170.6 4_655 4_655 4_655 no H1 C6 H2 55.2 4_665 4_665 4_665 no H1 C6 H2 151.6 4_665 4_665 4_665 no H1 C6 H2 64.5 4_665 4_665 4_665 no H1 C6 H3 166.1 4_665 4_665 4_665 no H1 C6 H3 62.8 4_665 4_665 4_665 no H1 C6 H4 157.8 4_665 4_665 4_665 no H1 C6 H4 85.5 4_665 4_665 4_665 no H1 C6 H5 66.1 4_665 4_665 4_665 no H1 C6 H6 170.6 4_665 4_665 4_665 no H1 C6 H6 81.8 4_665 4_665 4_665 no H2 C6 H2 104.6 . . . no H2 C6 H2 104.6 . . . no H2 C6 H3 117.6 . . . no H2 C6 H3 117.6 . . . no H2 C6 H4 140.7 . . . no H2 C6 H4 140.7 . . . no H2 C6 H5 61.8 . . . no H2 C6 H6 134.1 . . . no H2 C6 H6 134.1 . . . no H2 C6 H2 108.7 4_654 4_654 4_654 no H2 C6 H3 35.9 4_654 4_654 4_654 no H2 C6 H3 128.9 4_654 4_654 4_654 no H2 C6 H4 50.2 4_654 4_654 4_654 no H2 C6 H4 111.9 4_654 4_654 4_654 no H2 C6 H5 125.6 4_654 4_654 4_654 no H2 C6 H6 34.0 4_654 4_654 4_654 no H2 C6 H6 107.9 4_654 4_654 4_654 no H2 C6 H3 128.9 4_664 4_664 4_664 no H2 C6 H3 35.9 4_664 4_664 4_664 no H2 C6 H4 111.9 4_664 4_664 4_664 no H2 C6 H4 50.2 4_664 4_664 4_664 no H2 C6 H5 125.6 4_664 4_664 4_664 no H2 C6 H6 107.9 4_664 4_664 4_664 no H2 C6 H6 34.0 4_664 4_664 4_664 no H3 C6 H3 124.5 4_654 4_654 4_654 no H3 C6 H4 23.8 4_654 4_654 4_654 no H3 C6 H4 100.8 4_654 4_654 4_654 no H3 C6 H5 100.2 4_654 4_654 4_654 no H3 C6 H6 21.0 4_654 4_654 4_654 no H3 C6 H6 107.8 4_654 4_654 4_654 no H3 C6 H4 100.8 4_664 4_664 4_664 no H3 C6 H4 23.8 4_664 4_664 4_664 no H3 C6 H5 100.2 4_664 4_664 4_664 no H3 C6 H6 107.8 4_664 4_664 4_664 no H3 C6 H6 21.0 4_664 4_664 4_664 no H4 C6 H4 77.1 4_654 4_654 4_654 no H4 C6 H5 105.3 4_654 4_654 4_654 no H4 C6 H6 17.3 4_654 4_654 4_654 no H4 C6 H6 85.2 4_654 4_654 4_654 no H4 C6 H5 105.3 6_654 6_654 6_654 no H4 C6 H6 85.2 6_654 6_654 6_654 no H4 C6 H6 17.3 6_654 6_654 6_654 no H5 C6 H6 118.2 . . . no H5 C6 H6 118.2 . . . no H6 C6 H6 88.8 . . . no O1 C7 O2 61.22(12) . . . ? O1 C7 O2 61.23(12) . . . ? O1 C7 O4 89.3(2) . . . ? O1 C7 O4 89.3(2) . . . ? O1 C7 N1 58.7(4) . . . ? O1 C7 N2 38.7(2) . . . ? O1 C7 C1 26.9(2) . . . ? O1 C7 C3 75.5(2) . . . ? O1 C7 C4 86.7(3) . . . ? O1 C7 C5 117.7(3) . . . ? O1 C7 C8 105.3(5) . . . ? O1 C7 C8 105.3(5) . . . ? O1 C7 C9 117.3(4) . . . ? O1 C7 C9 117.3(4) . . . ? O1 C7 C10 121.5(4) . . . ? O1 C7 H3 114.8 . . . no O1 C7 H4 126.9 . . . no O1 C7 H4 126.9 . . . no O1 C7 H7 93.7 . . . no O1 C7 H7 93.7 . . . no O1 C7 H8 115.2 . . . no O1 C7 H8 115.2 . . . no O2 C7 O2 107.5(2) . . . ? O2 C7 O4 31.08(11) . . . ? O2 C7 O4 115.5(2) . . . ? O2 C7 N1 57.0(1) . . . ? O2 C7 N2 53.78(10) . . . ? O2 C7 C1 54.20(10) . . . ? O2 C7 C3 63.03(12) . . . ? O2 C7 C4 68.2(2) . . . ? O2 C7 C5 85.4(2) . . . ? O2 C7 C8 64.6(3) . . . ? O2 C7 C8 166.3(6) . . . ? O2 C7 C9 94.7(2) . . . ? O2 C7 C9 150.5(3) . . . ? O2 C7 C10 123.0(1) . . . ? O2 C7 H3 83.6 . . . no O2 C7 H4 78.9 . . . no O2 C7 H4 104.6 . . . no O2 C7 H7 41.8 . . . no O2 C7 H7 149.2 . . . no O2 C7 H8 86.5 . . . no O2 C7 H8 158.2 . . . no O2 C7 O4 115.5(2) 1_565 1_565 1_565 ? O2 C7 O4 31.09(11) 1_565 1_565 1_565 ? O2 C7 N1 57.0(1) 1_565 1_565 1_565 ? O2 C7 N2 53.80(10) 1_565 1_565 1_565 ? O2 C7 C1 54.22(10) 1_565 1_565 1_565 ? O2 C7 C3 63.05(12) 1_565 1_565 1_565 ? O2 C7 C4 68.2(2) 1_565 1_565 1_565 ? O2 C7 C5 85.4(2) 1_565 1_565 1_565 ? O2 C7 C8 166.3(6) 1_565 1_565 1_565 ? O2 C7 C8 64.6(3) 1_565 1_565 1_565 ? O2 C7 C9 150.5(3) 1_565 1_565 1_565 ? O2 C7 C9 94.7(2) 1_565 1_565 1_565 ? O2 C7 C10 123.0(1) 1_565 1_565 1_565 ? O2 C7 H3 83.6 1_565 1_565 1_565 no O2 C7 H4 104.6 1_565 1_565 1_565 no O2 C7 H4 78.9 1_565 1_565 1_565 no O2 C7 H7 149.2 1_565 1_565 1_565 no O2 C7 H7 41.8 1_565 1_565 1_565 no O2 C7 H8 158.2 1_565 1_565 1_565 no O2 C7 H8 86.5 1_565 1_565 1_565 no O4 C7 O4 106.0(2) . . . ? O4 C7 N1 58.7(2) . . . ? O4 C7 N2 67.31(12) . . . ? O4 C7 C1 73.6(2) . . . ? O4 C7 C3 54.14(10) . . . ? O4 C7 C4 53.01(10) . . . ? O4 C7 C5 58.16(13) . . . ? O4 C7 C8 64.1(3) . . . ? O4 C7 C8 161.7(7) . . . ? O4 C7 C9 93.5(2) . . . ? O4 C7 C9 147.4(3) . . . ? O4 C7 C10 121.3(2) . . . ? O4 C7 H3 57.2 . . . no O4 C7 H4 48.3 . . . no O4 C7 H4 77.0 . . . no O4 C7 H7 41.5 . . . no O4 C7 H7 147.2 . . . no O4 C7 H8 85.1 . . . no O4 C7 H8 153.5 . . . no O4 C7 N1 58.7(2) 1_565 1_565 1_565 ? O4 C7 N2 67.33(12) 1_565 1_565 1_565 ? O4 C7 C1 73.6(2) 1_565 1_565 1_565 ? O4 C7 C3 54.16(10) 1_565 1_565 1_565 ? O4 C7 C4 53.03(10) 1_565 1_565 1_565 ? O4 C7 C5 58.17(13) 1_565 1_565 1_565 ? O4 C7 C8 161.7(7) 1_565 1_565 1_565 ? O4 C7 C8 64.1(3) 1_565 1_565 1_565 ? O4 C7 C9 147.4(3) 1_565 1_565 1_565 ? O4 C7 C9 93.5(2) 1_565 1_565 1_565 ? O4 C7 C10 121.3(2) 1_565 1_565 1_565 ? O4 C7 H3 57.2 1_565 1_565 1_565 no O4 C7 H4 77.0 1_565 1_565 1_565 no O4 C7 H4 48.3 1_565 1_565 1_565 no O4 C7 H7 147.1 1_565 1_565 1_565 no O4 C7 H7 41.5 1_565 1_565 1_565 no O4 C7 H8 153.5 1_565 1_565 1_565 no O4 C7 H8 85.1 1_565 1_565 1_565 no N1 C7 N2 19.9(3) . . . ? N1 C7 C1 31.8(3) . . . ? N1 C7 C3 16.9(4) . . . ? N1 C7 C4 28.0(4) . . . ? N1 C7 C5 59.0(4) . . . ? N1 C7 C8 119.7(3) . . . ? N1 C7 C8 119.8(3) . . . ? N1 C7 C9 150.7(2) . . . ? N1 C7 C9 150.7(2) . . . ? N1 C7 C10 179.9(6) . . . ? N1 C7 H3 56.1 . . . no N1 C7 H4 70.8 . . . no N1 C7 H4 70.8 . . . no N1 C7 H7 95.5 . . . no N1 C7 H7 95.6 . . . no N1 C7 H8 142.1 . . . no N1 C7 H8 142.1 . . . no N2 C7 C1 11.9(2) . . . ? N2 C7 C3 36.8(2) . . . ? N2 C7 C4 47.9(2) . . . ? N2 C7 C5 79.0(2) . . . ? N2 C7 C8 117.9(4) . . . ? N2 C7 C8 118.0(4) . . . ? N2 C7 C9 145.3(3) . . . ? N2 C7 C9 145.3(3) . . . ? N2 C7 C10 160.2(4) . . . ? N2 C7 H3 76.0 . . . no N2 C7 H4 89.9 . . . no N2 C7 H4 89.9 . . . no N2 C7 H7 95.5 . . . no N2 C7 H7 95.6 . . . no N2 C7 H8 138.4 . . . no N2 C7 H8 138.4 . . . no C1 C7 C3 48.7(3) . . . ? C1 C7 C4 59.8(3) . . . ? C1 C7 C5 90.8(3) . . . ? C1 C7 C8 115.1(4) . . . ? C1 C7 C8 115.2(4) . . . ? C1 C7 C9 138.1(4) . . . ? C1 C7 C9 138.1(4) . . . ? C1 C7 C10 148.3(5) . . . ? C1 C7 H3 87.9 . . . no C1 C7 H4 101.3 . . . no C1 C7 H4 101.3 . . . no C1 C7 H7 95.2 . . . no C1 C7 H7 95.2 . . . no C1 C7 H8 132.9 . . . no C1 C7 H8 132.9 . . . no C3 C7 C4 11.2(2) . . . ? C3 C7 C5 42.2(2) . . . ? C3 C7 C8 118.2(4) . . . ? C3 C7 C8 118.3(4) . . . ? C3 C7 C9 146.4(3) . . . ? C3 C7 C9 146.4(3) . . . ? C3 C7 C10 163.0(4) . . . ? C3 C7 H3 39.2 . . . no C3 C7 H4 54.7 . . . no C3 C7 H4 54.7 . . . no C3 C7 H7 95.0 . . . no C3 C7 H7 95.1 . . . no C3 C7 H8 138.6 . . . no C3 C7 H8 138.6 . . . no C4 C7 C5 31.0(2) . . . ? C4 C7 C8 115.8(5) . . . ? C4 C7 C8 115.8(5) . . . ? C4 C7 C9 140.1(4) . . . ? C4 C7 C9 140.1(4) . . . ? C4 C7 C10 151.8(5) . . . ? C4 C7 H3 28.1 . . . no C4 C7 H4 44.3 . . . no C4 C7 H4 44.4 . . . no C4 C7 H7 94.5 . . . no C4 C7 H7 94.5 . . . no C4 C7 H8 133.5 . . . no C4 C7 H8 133.5 . . . no C5 C7 C8 104.5(6) . . . ? C5 C7 C8 104.5(6) . . . ? C5 C7 C9 116.3(4) . . . ? C5 C7 C9 116.3(4) . . . ? C5 C7 C10 120.8(4) . . . ? C5 C7 H3 2.9 . . . no C5 C7 H4 19.3 . . . no C5 C7 H4 19.3 . . . no C5 C7 H7 92.0 . . . no C5 C7 H7 92.1 . . . no C5 C7 H8 113.0 . . . no C5 C7 H8 113.0 . . . no C8 C7 C8 120.5(6) . . . ? C8 C7 C9 30.9(3) . . . ? C8 C7 C9 89.6(4) . . . ? C8 C7 C10 60.3(3) . . . ? C8 C7 H3 105.8 . . . no C8 C7 H4 85.3 . . . no C8 C7 H4 113.4 . . . no C8 C7 H7 24.2 . . . no C8 C7 H7 144.7 . . . no C8 C7 H8 22.4 . . . no C8 C7 H8 98.1 . . . no C8 C7 C9 89.5(4) 7 7 7 ? C8 C7 C9 30.9(3) 7 7 7 ? C8 C7 C10 60.2(3) 7 7 7 ? C8 C7 H3 105.8 7 7 7 no C8 C7 H4 113.4 7 7 7 no C8 C7 H4 85.3 7 7 7 no C8 C7 H7 144.7 7 7 7 no C8 C7 H7 24.2 7 7 7 no C8 C7 H8 98.1 7 7 7 no C8 C7 H8 22.4 7 7 7 no C9 C7 C9 58.6(3) . . . ? C9 C7 C10 29.3(2) . . . ? C9 C7 H3 118.8 . . . no C9 C7 H4 98.5 . . . no C9 C7 H4 114.7 . . . no C9 C7 H7 55.1 . . . no C9 C7 H7 113.7 . . . no C9 C7 H8 8.6 . . . no C9 C7 H8 67.2 . . . no C9 C7 C10 29.3(2) 7 7 7 ? C9 C7 H3 118.8 7 7 7 no C9 C7 H4 114.7 7 7 7 no C9 C7 H4 98.5 7 7 7 no C9 C7 H7 113.7 7 7 7 no C9 C7 H7 55.1 7 7 7 no C9 C7 H8 67.2 7 7 7 no C9 C7 H8 8.6 7 7 7 no C10 C7 H3 123.8 . . . no C10 C7 H4 109.1 . . . no C10 C7 H4 109.1 . . . no C10 C7 H7 84.5 . . . no C10 C7 H7 84.4 . . . no C10 C7 H8 37.9 . . . no C10 C7 H8 37.9 . . . no H3 C7 H4 21.0 . . . no H3 C7 H4 21.0 . . . no H3 C7 H7 92.3 . . . no H3 C7 H7 92.3 . . . no H3 C7 H8 115.2 . . . no H3 C7 H8 115.2 . . . no H4 C7 H4 32.0 . . . no H4 C7 H7 75.1 . . . no H4 C7 H7 106.9 . . . no H4 C7 H8 94.3 . . . no H4 C7 H8 114.4 . . . no H4 C7 H7 106.9 7 7 7 no H4 C7 H7 75.1 7 7 7 no H4 C7 H8 114.4 7 7 7 no H4 C7 H8 94.3 7 7 7 no H7 C7 H7 168.7 . . . no H7 C7 H8 46.6 . . . no H7 C7 H8 122.3 . . . no H7 C7 H8 122.3 7 7 7 no H7 C7 H8 46.6 7 7 7 no H8 C7 H8 75.7 . . . no CL1 C8 O1 119.4(2) . . . ? CL1 C8 O2 156.0(2) . . . ? CL1 C8 O4 152.9(2) . . . ? CL1 C8 N1 134.3(2) . . . ? CL1 C8 N3 165.9(2) . . . ? CL1 C8 C1 134.4(2) . . . ? CL1 C8 C4 136.6(2) . . . ? CL1 C8 C5 119.8(2) . . . ? CL1 C8 C7 102.8(4) . . . ? CL1 C8 C8 73.01(8) . . . ? CL1 C8 C9 16.8(3) . . . ? CL1 C8 C9 41.94(13) . . . ? CL1 C8 C10 12.49(10) . . . ? CL1 C8 H4 118.1 . . . no CL1 C8 H4 105.7 . . . no CL1 C8 H7 136.4 . . . no CL1 C8 H7 81.5 . . . no CL1 C8 H7 115.3 . . . no CL1 C8 H8 40.4 . . . no CL1 C8 H8 42.2 . . . no CL1 C8 H8 77.0 . . . no O1 C8 O2 61.85(12) . . . ? O1 C8 O4 87.4(2) . . . ? O1 C8 N1 44.1(2) . . . ? O1 C8 N3 70.8(1) . . . ? O1 C8 C1 21.5(1) . . . ? O1 C8 C4 65.1(2) . . . ? O1 C8 C5 89.5(2) . . . ? O1 C8 C7 51.8(5) . . . ? O1 C8 C8 69.49(10) . . . ? O1 C8 C9 128.7(6) . . . ? O1 C8 C9 91.3(2) . . . ? O1 C8 C10 111.7(3) . . . ? O1 C8 H4 102.1 . . . no O1 C8 H4 91.5 . . . no O1 C8 H7 90.9 . . . no O1 C8 H7 64.3 . . . no O1 C8 H7 105.2 . . . no O1 C8 H8 136.8 . . . no O1 C8 H8 91.6 . . . no O1 C8 H8 128.7 . . . no O2 C8 O4 34.38(12) . . . ? O2 C8 N1 65.3(1) . . . ? O2 C8 N3 17.78(10) . . . ? O2 C8 C1 55.98(10) . . . ? O2 C8 C4 67.1(2) . . . ? O2 C8 C5 83.5(2) . . . ? O2 C8 C7 95.7(3) . . . ? O2 C8 C8 124.36(10) . . . ? O2 C8 C9 141.9(5) . . . ? O2 C8 C9 152.7(3) . . . ? O2 C8 C10 163.8(4) . . . ? O2 C8 H4 82.8 . . . no O2 C8 H4 98.0 . . . no O2 C8 H7 29.5 . . . no O2 C8 H7 116.4 . . . no O2 C8 H7 47.9 . . . no O2 C8 H8 120.1 . . . no O2 C8 H8 152.9 . . . no O2 C8 H8 84.7 . . . no O4 C8 N1 66.7(2) . . . ? O4 C8 N3 18.09(11) . . . ? O4 C8 C1 72.3(2) . . . ? O4 C8 C4 54.89(11) . . . ? O4 C8 C5 58.87(13) . . . ? O4 C8 C7 96.5(4) . . . ? O4 C8 C8 124.10(10) . . . ? O4 C8 C9 139.4(5) . . . ? O4 C8 C9 150.6(3) . . . ? O4 C8 C10 159.4(4) . . . ? O4 C8 H4 52.6 . . . no O4 C8 H4 74.4 . . . no O4 C8 H7 29.6 . . . no O4 C8 H7 116.1 . . . no O4 C8 H7 48.2 . . . no O4 C8 H8 117.8 . . . no O4 C8 H8 150.0 . . . no O4 C8 H8 83.7 . . . no N1 C8 N3 59.64(12) . . . ? N1 C8 C1 23.8(2) . . . ? N1 C8 C4 21.7(2) . . . ? N1 C8 C5 45.4(2) . . . ? N1 C8 C7 31.5(3) . . . ? N1 C8 C8 61.3(1) . . . ? N1 C8 C9 151.1(4) . . . ? N1 C8 C9 92.4(2) . . . ? N1 C8 C10 121.8(3) . . . ? N1 C8 H4 58.5 . . . no N1 C8 H4 49.4 . . . no N1 C8 H7 89.3 . . . no N1 C8 H7 52.8 . . . no N1 C8 H7 110.4 . . . no N1 C8 H8 174.5 . . . no N1 C8 H8 92.2 . . . no N1 C8 H8 148.7 . . . no N3 C8 C1 58.52(13) . . . ? N3 C8 C4 54.94(12) . . . ? N3 C8 C5 67.3(2) . . . ? N3 C8 C7 91.2(3) . . . ? N3 C8 C8 120.88(9) . . . ? N3 C8 C9 149.2(4) . . . ? N3 C8 C9 151.9(2) . . . ? N3 C8 C10 177.4(4) . . . ? N3 C8 H4 65.3 . . . no N3 C8 H4 82.5 . . . no N3 C8 H7 29.6 . . . no N3 C8 H7 112.4 . . . no N3 C8 H7 50.8 . . . no N3 C8 H8 125.6 . . . no N3 C8 H8 151.6 . . . no N3 C8 H8 89.1 . . . no C1 C8 C4 43.9(2) . . . ? C1 C8 C5 68.7(2) . . . ? C1 C8 C7 42.7(3) . . . ? C1 C8 C8 68.77(11) . . . ? C1 C8 C9 147.5(5) . . . ? C1 C8 C9 97.2(2) . . . ? C1 C8 C10 123.8(3) . . . ? C1 C8 H4 80.8 . . . no C1 C8 H4 73.0 . . . no C1 C8 H7 84.9 . . . no C1 C8 H7 61.4 . . . no C1 C8 H7 103.9 . . . no C1 C8 H8 158.0 . . . no C1 C8 H8 97.3 . . . no C1 C8 H8 137.8 . . . no C4 C8 C5 25.2(2) . . . ? C4 C8 C7 42.6(4) . . . ? C4 C8 C8 69.23(11) . . . ? C4 C8 C9 149.8(5) . . . ? C4 C8 C9 98.2(2) . . . ? C4 C8 C10 125.5(3) . . . ? C4 C8 H4 37.0 . . . no C4 C8 H4 34.0 . . . no C4 C8 H7 82.7 . . . no C4 C8 H7 61.2 . . . no C4 C8 H7 102.9 . . . no C4 C8 H8 158.1 . . . no C4 C8 H8 97.8 . . . no C4 C8 H8 137.4 . . . no C5 C8 C7 53.5(5) . . . ? C5 C8 C8 70.34(11) . . . ? C5 C8 C9 128.0(6) . . . ? C5 C8 C9 91.7(3) . . . ? C5 C8 C10 112.0(3) . . . ? C5 C8 H4 14.9 . . . no C5 C8 H4 15.5 . . . no C5 C8 H7 88.3 . . . no C5 C8 H7 64.6 . . . no C5 C8 H7 103.8 . . . no C5 C8 H8 133.2 . . . no C5 C8 H8 91.1 . . . no C5 C8 H8 126.3 . . . no C7 C8 C8 29.8(3) . . . ? C7 C8 C9 119.6(5) . . . ? C7 C8 C9 60.8(4) . . . ? C7 C8 C10 90.3(4) . . . ? C7 C8 H4 68.3 . . . no C7 C8 H4 46.3 . . . no C7 C8 H7 120.8 . . . no C7 C8 H7 21.3 . . . no C7 C8 H7 141.9 . . . no C7 C8 H8 143.1 . . . no C7 C8 H8 60.6 . . . no C7 C8 H8 179.5 . . . no C8 C8 C9 89.8(4) 7 7 7 ? C8 C8 C9 31.1(2) 7 7 7 ? C8 C8 C10 60.5(2) 7 7 7 ? C8 C8 H4 82.5 7 7 7 no C8 C8 H4 57.0 7 7 7 no C8 C8 H7 150.5 7 7 7 no C8 C8 H7 8.5 7 7 7 no C8 C8 H7 171.7 7 7 7 no C8 C8 H8 113.4 7 7 7 no C8 C8 H8 30.9 7 7 7 no C8 C8 H8 150.0 7 7 7 no C9 C8 C9 58.7(4) . . . ? C9 C8 C10 29.3(3) . . . ? C9 C8 H4 121.7 . . . no C9 C8 H4 116.3 . . . no C9 C8 H7 119.6 . . . no C9 C8 H7 98.3 . . . no C9 C8 H7 98.5 . . . no C9 C8 H8 23.6 . . . no C9 C8 H8 58.9 . . . no C9 C8 H8 60.2 . . . no C9 C8 C10 29.4(2) 7 7 7 ? C9 C8 H4 99.2 7 7 7 no C9 C8 H4 76.3 7 7 7 no C9 C8 H7 177.7 7 7 7 no C9 C8 H7 39.5 7 7 7 no C9 C8 H7 157.2 7 7 7 no C9 C8 H8 82.3 7 7 7 no C9 C8 H8 0.7 7 7 7 no C9 C8 H8 118.9 7 7 7 no C10 C8 H4 113.4 . . . no C10 C8 H4 97.0 . . . no C10 C8 H7 148.9 . . . no C10 C8 H7 69.0 . . . no C10 C8 H7 127.8 . . . no C10 C8 H8 52.9 . . . no C10 C8 H8 29.7 . . . no C10 C8 H8 89.5 . . . no H4 C8 H4 25.5 . . . no H4 C8 H7 80.3 . . . no H4 C8 H7 77.7 . . . no H4 C8 H7 92.6 . . . no H4 C8 H8 121.1 . . . no H4 C8 H8 98.5 . . . no H4 C8 H8 111.5 . . . no H4 C8 H7 103.7 7 7 7 no H4 C8 H7 52.4 7 7 7 no H4 C8 H7 118.0 7 7 7 no H4 C8 H8 127.5 7 7 7 no H4 C8 H8 75.7 7 7 7 no H4 C8 H8 133.3 7 7 7 no H7 C8 H7 142.0 . . . no H7 C8 H7 21.2 . . . no H7 C8 H8 96.0 . . . no H7 C8 H8 177.3 . . . no H7 C8 H8 59.4 . . . no H7 C8 H7 163.2 7 7 7 no H7 C8 H8 121.8 7 7 7 no H7 C8 H8 39.3 7 7 7 no H7 C8 H8 158.4 7 7 7 no H7 C8 H8 74.9 7_545 7_545 7_545 no H7 C8 H8 157.4 7_545 7_545 7_545 no H7 C8 H8 38.3 7_545 7_545 7_545 no H8 C8 H8 82.5 . . . no H8 C8 H8 36.6 . . . no H8 C8 H8 119.1 7 7 7 no CL1 C9 N1 136.1(2) . . . ? CL1 C9 C7 125.0(3) . . . ? CL1 C9 C8 154.5(5) . . . ? CL1 C9 C8 95.4(2) . . . ? CL1 C9 C9 64.33(13) . . . ? CL1 C9 C9 79.7(2) . . . ? CL1 C9 C10 34.7(3) . . . ? CL1 C9 H4 130.4 . . . no CL1 C9 H4 54.2 . . . no CL1 C9 H7 178.5 . . . no CL1 C9 H7 95.0 . . . no CL1 C9 H7 145.8 . . . no CL1 C9 H8 85.5 . . . no CL1 C9 H8 55.7 . . . no CL1 C9 H8 107.4 . . . no CL1 C9 H8 80.3 . . . no N1 C9 C7 11.10(9) . . . ? N1 C9 C8 18.4(3) . . . ? N1 C9 C8 40.73(12) . . . ? N1 C9 C9 71.81(10) . . . ? N1 C9 C9 110.5(3) . . . ? N1 C9 C10 101.4(4) . . . ? N1 C9 H4 41.3 . . . no N1 C9 H4 150.3 . . . no N1 C9 H7 42.3 . . . no N1 C9 H7 41.2 . . . no N1 C9 H7 78.1 . . . no N1 C9 H8 138.4 . . . no N1 C9 H8 80.4 . . . no N1 C9 H8 116.5 . . . no N1 C9 H8 100.2 . . . no C7 C9 C8 29.5(3) . . . ? C7 C9 C8 29.6(1) . . . ? C7 C9 C9 60.7(2) . . . ? C7 C9 C9 111.4(4) . . . ? C7 C9 C10 90.3(4) . . . ? C7 C9 H4 44.9 . . . no C7 C9 H4 149.6 . . . no C7 C9 H7 53.4 . . . no C7 C9 H7 30.1 . . . no C7 C9 H7 89.2 . . . no C7 C9 H8 149.4 . . . no C7 C9 H8 69.3 . . . no C7 C9 H8 127.6 . . . no C7 C9 H8 99.4 . . . no C8 C9 C8 59.1(4) . . . ? C8 C9 C9 90.2(4) . . . ? C8 C9 C9 107.1(6) . . . ? C8 C9 C10 119.8(6) . . . ? C8 C9 H4 40.7 . . . no C8 C9 H4 143.9 . . . no C8 C9 H7 24.0 . . . no C8 C9 H7 59.5 . . . no C8 C9 H7 59.7 . . . no C8 C9 H8 120.0 . . . no C8 C9 H8 98.8 . . . no C8 C9 H8 98.1 . . . no C8 C9 H8 100.4 . . . no C8 C9 C9 31.1(2) 7 7 7 ? C8 C9 C9 110.1(4) 7 7 7 ? C8 C9 C10 60.7(4) 7 7 7 ? C8 C9 H4 61.6 7 7 7 no C8 C9 H4 133.7 7 7 7 no C8 C9 H7 83.1 7 7 7 no C8 C9 H7 0.6 7 7 7 no C8 C9 H7 118.8 7 7 7 no C8 C9 H8 177.3 7 7 7 no C8 C9 H8 39.7 7 7 7 no C8 C9 H8 157.2 7 7 7 no C8 C9 H8 96.1 7 7 7 no C9 C9 C9 103.0(2) 7 7 7 ? C9 C9 C10 29.6(4) 7 7 7 ? C9 C9 H4 84.4 7 7 7 no C9 C9 H4 108.6 7 7 7 no C9 C9 H7 114.1 7 7 7 no C9 C9 H7 30.7 7 7 7 no C9 C9 H7 149.9 7 7 7 no C9 C9 H8 149.7 7 7 7 no C9 C9 H8 8.6 7 7 7 no C9 C9 H8 171.7 7 7 7 no C9 C9 H8 90.9 7 7 7 no C9 C9 C10 92.4(7) 5_656 5_656 5_656 ? C9 C9 H4 147.5 5_656 5_656 5_656 no C9 C9 H4 98.5 5_656 5_656 5_656 no C9 C9 H7 100.9 5_656 5_656 5_656 no C9 C9 H7 110.5 5_656 5_656 5_656 no C9 C9 H7 87.7 5_656 5_656 5_656 no C9 C9 H8 72.5 5_656 5_656 5_656 no C9 C9 H8 100.9 5_656 5_656 5_656 no C9 C9 H8 75.4 5_656 5_656 5_656 no C9 C9 H8 14.0 5_656 5_656 5_656 no C10 C9 H4 107.1 . . . no C10 C9 H4 83.1 . . . no C10 C9 H7 143.8 . . . no C10 C9 H7 60.3 . . . no C10 C9 H7 179.5 . . . no C10 C9 H8 120.1 . . . no C10 C9 H8 21.1 . . . no C10 C9 H8 142.1 . . . no C10 C9 H8 85.3 . . . no H4 C9 H4 109.1 . . . no H4 C9 H7 48.7 . . . no H4 C9 H7 61.6 . . . no H4 C9 H7 72.5 . . . no H4 C9 H8 116.0 . . . no H4 C9 H8 90.4 . . . no H4 C9 H8 101.5 . . . no H4 C9 H8 140.5 . . . no H4 C9 H7 127.0 5_657 5_657 5_657 no H4 C9 H7 133.1 5_657 5_657 5_657 no H4 C9 H7 97.2 5_657 5_657 5_657 no H4 C9 H8 45.2 5_657 5_657 5_657 no H4 C9 H8 100.8 5_657 5_657 5_657 no H4 C9 H8 64.0 5_657 5_657 5_657 no H4 C9 H8 109.5 5_657 5_657 5_657 no H7 C9 H7 83.5 . . . no H7 C9 H7 35.8 . . . no H7 C9 H8 96.0 . . . no H7 C9 H8 122.7 . . . no H7 C9 H8 74.2 . . . no H7 C9 H8 99.9 . . . no H7 C9 H7 119.2 7 7 7 no H7 C9 H8 177.0 7 7 7 no H7 C9 H8 39.3 7 7 7 no H7 C9 H8 157.6 7 7 7 no H7 C9 H8 96.5 7 7 7 no H7 C9 H8 60.3 7_545 7_545 7_545 no H7 C9 H8 158.5 7_545 7_545 7_545 no H7 C9 H8 38.4 7_545 7_545 7_545 no H7 C9 H8 94.8 7_545 7_545 7_545 no H8 C9 H8 141.0 . . . no H8 C9 H8 22.0 . . . no H8 C9 H8 86.5 . . . no H8 C9 H8 163.0 7 7 7 no H8 C9 H8 90.1 7 7 7 no H8 C9 H8 88.3 7_545 7_545 7_545 no CL1 C10 C7 179.4(6) . . . ? CL1 C10 C8 150.5(2) . . . ? CL1 C10 C8 150.5(2) . . . ? CL1 C10 C9 119.7(4) . . . ? CL1 C10 C9 119.6(4) . . . ? CL1 C10 H4 51.3 . . . no CL1 C10 H4 51.3 . . . no CL1 C10 H7 141.7 . . . no CL1 C10 H7 141.7 . . . no CL1 C10 H8 95.4 . . . no CL1 C10 H8 95.3 . . . no CL1 C10 H8 89.1 . . . no CL1 C10 H8 89.1 . . . no C7 C10 C8 29.5(2) . . . ? C7 C10 C8 29.5(2) . . . ? C7 C10 C9 60.3(4) . . . ? C7 C10 C9 60.4(4) . . . ? C7 C10 H4 129.1 . . . no C7 C10 H4 129.1 . . . no C7 C10 H7 38.3 . . . no C7 C10 H7 38.3 . . . no C7 C10 H8 84.6 . . . no C7 C10 H8 84.7 . . . no C7 C10 H8 90.3 . . . no C7 C10 H8 90.3 . . . no C8 C10 C8 58.9(3) . . . ? C8 C10 C9 30.9(3) . . . ? C8 C10 C9 89.8(5) . . . ? C8 C10 H4 147.6 . . . no C8 C10 H4 104.6 . . . no C8 C10 H7 8.8 . . . no C8 C10 H7 67.8 . . . no C8 C10 H8 55.2 . . . no C8 C10 H8 114.1 . . . no C8 C10 H8 99.4 . . . no C8 C10 H8 81.4 . . . no C8 C10 C9 89.8(5) 7 7 7 ? C8 C10 C9 30.9(3) 7 7 7 ? C8 C10 H4 104.6 7 7 7 no C8 C10 H4 147.6 7 7 7 no C8 C10 H7 67.7 7 7 7 no C8 C10 H7 8.8 7 7 7 no C8 C10 H8 114.1 7 7 7 no C8 C10 H8 55.2 7 7 7 no C8 C10 H8 81.4 7 7 7 no C8 C10 H8 99.3 7 7 7 no C9 C10 C9 120.7(7) . . . ? C9 C10 H4 146.4 . . . no C9 C10 H4 77.6 . . . no C9 C10 H7 22.1 . . . no C9 C10 H7 98.6 . . . no C9 C10 H8 24.3 . . . no C9 C10 H8 145.0 . . . no C9 C10 H8 106.5 . . . no C9 C10 H8 74.5 . . . no C9 C10 H4 77.6 7 7 7 no C9 C10 H4 146.4 7 7 7 no C9 C10 H7 98.6 7 7 7 no C9 C10 H7 22.1 7 7 7 no C9 C10 H8 145.0 7 7 7 no C9 C10 H8 24.3 7 7 7 no C9 C10 H8 74.5 7 7 7 no C9 C10 H8 106.5 7 7 7 no H4 C10 H4 74.1 3_657 3_657 3_657 no H4 C10 H7 149.7 3_657 3_657 3_657 no H4 C10 H7 96.7 3_657 3_657 3_657 no H4 C10 H8 130.3 3_657 3_657 3_657 no H4 C10 H8 56.4 3_657 3_657 3_657 no H4 C10 H8 105.6 3_657 3_657 3_657 no H4 C10 H8 130.6 3_657 3_657 3_657 no H4 C10 H7 96.7 5_657 5_657 5_657 no H4 C10 H7 149.7 5_657 5_657 5_657 no H4 C10 H8 56.4 5_657 5_657 5_657 no H4 C10 H8 130.2 5_657 5_657 5_657 no H4 C10 H8 130.6 5_657 5_657 5_657 no H4 C10 H8 105.6 5_657 5_657 5_657 no H7 C10 H7 76.6 . . . no H7 C10 H8 46.4 . . . no H7 C10 H8 122.9 . . . no H7 C10 H8 102.1 . . . no H7 C10 H8 79.5 . . . no H7 C10 H8 122.9 7 7 7 no H7 C10 H8 46.4 7 7 7 no H7 C10 H8 79.5 7 7 7 no H7 C10 H8 102.1 7 7 7 no H8 C10 H8 168.9 . . . no H8 C10 H8 109.9 . . . no H8 C10 H8 73.1 . . . no H8 C10 H8 73.1 7 7 7 no H8 C10 H8 109.9 7 7 7 no H8 C10 H8 36.9 3_656 3_656 3_656 no O1 H1 O2 64.6 . . . no O1 H1 O2 64.6 . . . no O1 H1 O2 114.3 . . . no O1 H1 O3 94.3 . . . no O1 H1 O3 94.3 . . . no O1 H1 O3 96.6 . . . no O1 H1 O4 146.6 . . . no O1 H1 N1 45.6 . . . no O1 H1 N2 66.2 . . . no O1 H1 N3 121.0 . . . no O1 H1 C1 28.8 . . . no O1 H1 C2 103.4 . . . no O1 H1 C2 89.0 . . . no O1 H1 C2 89.0 . . . no O1 H1 C3 89.0 . . . no O1 H1 C3 105.1 . . . no O1 H1 C3 105.1 . . . no O1 H1 C4 67.2 . . . no O1 H1 C6 139.5 . . . no O1 H1 C6 67.4 . . . no O1 H1 C6 67.4 . . . no O1 H1 H2 97.8 . . . no O1 H1 H2 102.0 . . . no O1 H1 H2 102.0 . . . no O1 H1 H3 40.7 . . . no O1 H1 H5 134.4 . . . no O1 H1 H5 63.9 . . . no O1 H1 H5 63.8 . . . no O1 H1 H6 150.7 . . . no O1 H1 H6 150.7 . . . no O1 H1 H6 59.8 . . . no O1 H1 H6 59.8 . . . no O2 H1 O2 113.3 . . . no O2 H1 O2 119.3 . . . no O2 H1 O3 32.2 . . . no O2 H1 O3 121.0 . . . no O2 H1 O3 113.0 . . . no O2 H1 O4 123.2 . . . no O2 H1 N1 56.9 . . . no O2 H1 N2 60.8 . . . no O2 H1 N3 121.1 . . . no O2 H1 C1 57.2 . . . no O2 H1 C2 76.4 . . . no O2 H1 C2 59.4 . . . no O2 H1 C2 151.3 . . . no O2 H1 C3 69.4 . . . no O2 H1 C3 58.3 . . . no O2 H1 C3 169.5 . . . no O2 H1 C4 61.1 . . . no O2 H1 C6 95.9 . . . no O2 H1 C6 46.9 . . . no O2 H1 C6 131.6 . . . no O2 H1 H2 73.6 . . . no O2 H1 H2 45.9 . . . no O2 H1 H2 158.7 . . . no O2 H1 H3 84.2 . . . no O2 H1 H5 93.1 . . . no O2 H1 H5 33.4 . . . no O2 H1 H5 127.9 . . . no O2 H1 H6 90.4 . . . no O2 H1 H6 117.5 . . . no O2 H1 H6 56.6 . . . no O2 H1 H6 121.2 . . . no O2 H1 O2 119.4 1_565 1_565 1_565 no O2 H1 O3 121.0 1_565 1_565 1_565 no O2 H1 O3 32.2 1_565 1_565 1_565 no O2 H1 O3 113.0 1_565 1_565 1_565 no O2 H1 O4 123.2 1_565 1_565 1_565 no O2 H1 N1 56.9 1_565 1_565 1_565 no O2 H1 N2 60.8 1_565 1_565 1_565 no O2 H1 N3 121.1 1_565 1_565 1_565 no O2 H1 C1 57.2 1_565 1_565 1_565 no O2 H1 C2 76.4 1_565 1_565 1_565 no O2 H1 C2 151.4 1_565 1_565 1_565 no O2 H1 C2 59.4 1_565 1_565 1_565 no O2 H1 C3 69.4 1_565 1_565 1_565 no O2 H1 C3 169.5 1_565 1_565 1_565 no O2 H1 C3 58.3 1_565 1_565 1_565 no O2 H1 C4 61.1 1_565 1_565 1_565 no O2 H1 C6 95.9 1_565 1_565 1_565 no O2 H1 C6 131.6 1_565 1_565 1_565 no O2 H1 C6 46.9 1_565 1_565 1_565 no O2 H1 H2 73.6 1_565 1_565 1_565 no O2 H1 H2 158.7 1_565 1_565 1_565 no O2 H1 H2 45.9 1_565 1_565 1_565 no O2 H1 H3 84.2 1_565 1_565 1_565 no O2 H1 H5 93.1 1_565 1_565 1_565 no O2 H1 H5 127.9 1_565 1_565 1_565 no O2 H1 H5 33.4 1_565 1_565 1_565 no O2 H1 H6 117.5 1_565 1_565 1_565 no O2 H1 H6 90.4 1_565 1_565 1_565 no O2 H1 H6 121.2 1_565 1_565 1_565 no O2 H1 H6 56.5 1_565 1_565 1_565 no O2 H1 O3 119.5 4_654 4_654 4_654 no O2 H1 O3 119.5 4_654 4_654 4_654 no O2 H1 O3 17.7 4_654 4_654 4_654 no O2 H1 O4 32.4 4_654 4_654 4_654 no O2 H1 N1 159.9 4_654 4_654 4_654 no O2 H1 N2 179.5 4_654 4_654 4_654 no O2 H1 N3 6.8 4_654 4_654 4_654 no O2 H1 C1 143.1 4_654 4_654 4_654 no O2 H1 C2 142.3 4_654 4_654 4_654 no O2 H1 C2 59.9 4_654 4_654 4_654 no O2 H1 C2 59.9 4_654 4_654 4_654 no O2 H1 C3 156.7 4_654 4_654 4_654 no O2 H1 C3 65.3 4_654 4_654 4_654 no O2 H1 C3 65.3 4_654 4_654 4_654 no O2 H1 C4 178.6 4_654 4_654 4_654 no O2 H1 C6 106.2 4_654 4_654 4_654 no O2 H1 C6 75.4 4_654 4_654 4_654 no O2 H1 C6 75.4 4_654 4_654 4_654 no O2 H1 H2 147.9 4_654 4_654 4_654 no O2 H1 H2 80.7 4_654 4_654 4_654 no O2 H1 H2 80.7 4_654 4_654 4_654 no O2 H1 H3 73.6 4_654 4_654 4_654 no O2 H1 H5 111.3 4_654 4_654 4_654 no O2 H1 H5 88.4 4_654 4_654 4_654 no O2 H1 H5 88.4 4_654 4_654 4_654 no O2 H1 H6 90.6 4_654 4_654 4_654 no O2 H1 H6 90.6 4_654 4_654 4_654 no O2 H1 H6 71.2 4_654 4_654 4_654 no O2 H1 H6 71.2 4_654 4_654 4_654 no O3 H1 O3 109.2 . . . no O3 H1 O3 124.2 . . . no O3 H1 O4 104.6 . . . no O3 H1 N1 69.0 . . . no O3 H1 N2 60.3 . . . no O3 H1 N3 117.0 . . . no O3 H1 C1 77.9 . . . no O3 H1 C2 54.8 . . . no O3 H1 C2 69.2 . . . no O3 H1 C2 176.4 . . . no O3 H1 C3 55.0 . . . no O3 H1 C3 55.9 . . . no O3 H1 C3 155.8 . . . no O3 H1 C4 60.0 . . . no O3 H1 C6 64.5 . . . no O3 H1 C6 68.3 . . . no O3 H1 C6 160.8 . . . no O3 H1 H2 54.6 . . . no O3 H1 H2 40.4 . . . no O3 H1 H2 145.7 . . . no O3 H1 H3 115.6 . . . no O3 H1 H5 62.4 . . . no O3 H1 H5 57.2 . . . no O3 H1 H5 150.7 . . . no O3 H1 H6 58.6 . . . no O3 H1 H6 85.6 . . . no O3 H1 H6 81.3 . . . no O3 H1 H6 153.3 . . . no O3 H1 O3 124.2 1_565 1_565 1_565 no O3 H1 O4 104.7 1_565 1_565 1_565 no O3 H1 N1 69.0 1_565 1_565 1_565 no O3 H1 N2 60.3 1_565 1_565 1_565 no O3 H1 N3 117.0 1_565 1_565 1_565 no O3 H1 C1 77.8 1_565 1_565 1_565 no O3 H1 C2 54.8 1_565 1_565 1_565 no O3 H1 C2 176.4 1_565 1_565 1_565 no O3 H1 C2 69.2 1_565 1_565 1_565 no O3 H1 C3 55.0 1_565 1_565 1_565 no O3 H1 C3 155.8 1_565 1_565 1_565 no O3 H1 C3 55.9 1_565 1_565 1_565 no O3 H1 C4 60.0 1_565 1_565 1_565 no O3 H1 C6 64.5 1_565 1_565 1_565 no O3 H1 C6 160.8 1_565 1_565 1_565 no O3 H1 C6 68.3 1_565 1_565 1_565 no O3 H1 H2 54.6 1_565 1_565 1_565 no O3 H1 H2 145.7 1_565 1_565 1_565 no O3 H1 H2 40.4 1_565 1_565 1_565 no O3 H1 H3 115.6 1_565 1_565 1_565 no O3 H1 H5 62.4 1_565 1_565 1_565 no O3 H1 H5 150.7 1_565 1_565 1_565 no O3 H1 H5 57.2 1_565 1_565 1_565 no O3 H1 H6 85.6 1_565 1_565 1_565 no O3 H1 H6 58.6 1_565 1_565 1_565 no O3 H1 H6 153.3 1_565 1_565 1_565 no O3 H1 H6 81.3 1_565 1_565 1_565 no O3 H1 O4 50.1 4_654 4_654 4_654 no O3 H1 N1 142.2 4_654 4_654 4_654 no O3 H1 N2 162.8 4_654 4_654 4_654 no O3 H1 N3 24.5 4_654 4_654 4_654 no O3 H1 C1 125.4 4_654 4_654 4_654 no O3 H1 C2 160.0 4_654 4_654 4_654 no O3 H1 C2 56.5 4_654 4_654 4_654 no O3 H1 C2 56.5 4_654 4_654 4_654 no O3 H1 C3 174.4 4_654 4_654 4_654 no O3 H1 C3 68.4 4_654 4_654 4_654 no O3 H1 C3 68.4 4_654 4_654 4_654 no O3 H1 C4 163.7 4_654 4_654 4_654 no O3 H1 C6 123.9 4_654 4_654 4_654 no O3 H1 C6 66.3 4_654 4_654 4_654 no O3 H1 C6 66.3 4_654 4_654 4_654 no O3 H1 H2 165.6 4_654 4_654 4_654 no O3 H1 H2 83.9 4_654 4_654 4_654 no O3 H1 H2 83.9 4_654 4_654 4_654 no O3 H1 H3 55.9 4_654 4_654 4_654 no O3 H1 H5 129.0 4_654 4_654 4_654 no O3 H1 H5 79.8 4_654 4_654 4_654 no O3 H1 H5 79.8 4_654 4_654 4_654 no O3 H1 H6 107.6 4_654 4_654 4_654 no O3 H1 H6 107.6 4_654 4_654 4_654 no O3 H1 H6 58.8 4_654 4_654 4_654 no O3 H1 H6 58.8 4_654 4_654 4_654 no O4 H1 N1 167.8 4_654 4_654 4_654 no O4 H1 N2 147.1 4_654 4_654 4_654 no O4 H1 N3 25.6 4_654 4_654 4_654 no O4 H1 C1 175.4 4_654 4_654 4_654 no O4 H1 C2 110.0 4_654 4_654 4_654 no O4 H1 C2 73.0 4_654 4_654 4_654 no O4 H1 C2 73.0 4_654 4_654 4_654 no O4 H1 C3 124.4 4_654 4_654 4_654 no O4 H1 C3 66.1 4_654 4_654 4_654 no O4 H1 C3 66.2 4_654 4_654 4_654 no O4 H1 C4 146.2 4_654 4_654 4_654 no O4 H1 C6 73.8 4_654 4_654 4_654 no O4 H1 C6 94.2 4_654 4_654 4_654 no O4 H1 C6 94.2 4_654 4_654 4_654 no O4 H1 H2 115.5 4_654 4_654 4_654 no O4 H1 H2 77.3 4_654 4_654 4_654 no O4 H1 H2 77.3 4_654 4_654 4_654 no O4 H1 H3 105.9 4_654 4_654 4_654 no O4 H1 H5 79.0 4_654 4_654 4_654 no O4 H1 H5 104.0 4_654 4_654 4_654 no O4 H1 H5 104.0 4_654 4_654 4_654 no O4 H1 H6 59.6 4_654 4_654 4_654 no O4 H1 H6 59.6 4_654 4_654 4_654 no O4 H1 H6 95.8 4_654 4_654 4_654 no O4 H1 H6 95.8 4_654 4_654 4_654 no N1 H1 N2 20.6 . . . no N1 H1 N3 166.6 . . . no N1 H1 C1 16.8 . . . no N1 H1 C2 57.8 . . . no N1 H1 C2 112.7 . . . no N1 H1 C2 112.7 . . . no N1 H1 C3 43.4 . . . no N1 H1 C3 115.2 . . . no N1 H1 C3 115.2 . . . no N1 H1 C4 21.6 . . . no N1 H1 C6 93.9 . . . no N1 H1 C6 93.0 . . . no N1 H1 C6 93.0 . . . no N1 H1 H2 52.2 . . . no N1 H1 H2 101.9 . . . no N1 H1 H2 101.8 . . . no N1 H1 H3 86.3 . . . no N1 H1 H5 88.8 . . . no N1 H1 H5 81.7 . . . no N1 H1 H5 81.7 . . . no N1 H1 H6 108.7 . . . no N1 H1 H6 108.7 . . . no N1 H1 H6 93.6 . . . no N1 H1 H6 93.6 . . . no N2 H1 N3 172.7 . . . no N2 H1 C1 37.4 . . . no N2 H1 C2 37.2 . . . no N2 H1 C2 120.2 . . . no N2 H1 C2 120.2 . . . no N2 H1 C3 22.8 . . . no N2 H1 C3 114.6 . . . no N2 H1 C3 114.6 . . . no N2 H1 C4 0.9 . . . no N2 H1 C6 73.3 . . . no N2 H1 C6 104.9 . . . no N2 H1 C6 104.9 . . . no N2 H1 H2 31.6 . . . no N2 H1 H2 99.2 . . . no N2 H1 H2 99.2 . . . no N2 H1 H3 106.9 . . . no N2 H1 H5 68.2 . . . no N2 H1 H5 91.9 . . . no N2 H1 H5 91.9 . . . no N2 H1 H6 88.9 . . . no N2 H1 H6 88.9 . . . no N2 H1 H6 109.2 . . . no N2 H1 H6 109.1 . . . no N3 H1 C1 149.8 4_654 4_654 4_654 no N3 H1 C2 135.6 4_654 4_654 4_654 no N3 H1 C2 62.0 4_654 4_654 4_654 no N3 H1 C2 62.1 4_654 4_654 4_654 no N3 H1 C3 150.0 4_654 4_654 4_654 no N3 H1 C3 64.8 4_654 4_654 4_654 no N3 H1 C3 64.8 4_654 4_654 4_654 no N3 H1 C4 171.8 4_654 4_654 4_654 no N3 H1 C6 99.4 4_654 4_654 4_654 no N3 H1 C6 79.2 4_654 4_654 4_654 no N3 H1 C6 79.2 4_654 4_654 4_654 no N3 H1 H2 141.1 4_654 4_654 4_654 no N3 H1 H2 79.7 4_654 4_654 4_654 no N3 H1 H2 79.7 4_654 4_654 4_654 no N3 H1 H3 80.3 4_654 4_654 4_654 no N3 H1 H5 104.6 4_654 4_654 4_654 no N3 H1 H5 91.7 4_654 4_654 4_654 no N3 H1 H5 91.8 4_654 4_654 4_654 no N3 H1 H6 84.1 4_654 4_654 4_654 no N3 H1 H6 84.1 4_654 4_654 4_654 no N3 H1 H6 76.2 4_654 4_654 4_654 no N3 H1 H6 76.3 4_654 4_654 4_654 no C1 H1 C2 74.6 . . . no C1 H1 C2 104.7 . . . no C1 H1 C2 104.7 . . . no C1 H1 C3 60.2 . . . no C1 H1 C3 113.1 . . . no C1 H1 C3 113.1 . . . no C1 H1 C4 38.4 . . . no C1 H1 C6 110.8 . . . no C1 H1 C6 83.1 . . . no C1 H1 C6 83.1 . . . no C1 H1 H2 69.1 . . . no C1 H1 H2 102.9 . . . no C1 H1 H2 102.9 . . . no C1 H1 H3 69.5 . . . no C1 H1 H5 105.6 . . . no C1 H1 H5 74.0 . . . no C1 H1 H5 74.0 . . . no C1 H1 H6 124.7 . . . no C1 H1 H6 124.7 . . . no C1 H1 H6 80.7 . . . no C1 H1 H6 80.7 . . . no C2 H1 C2 123.1 . . . no C2 H1 C2 123.1 . . . no C2 H1 C3 14.4 . . . no C2 H1 C3 105.7 . . . no C2 H1 C3 105.7 . . . no C2 H1 C4 36.2 . . . no C2 H1 C6 36.1 . . . no C2 H1 C6 121.8 . . . no C2 H1 C6 121.8 . . . no C2 H1 H2 5.6 . . . no C2 H1 H2 91.9 . . . no C2 H1 H2 91.9 . . . no C2 H1 H3 144.1 . . . no C2 H1 H5 31.0 . . . no C2 H1 H5 109.0 . . . no C2 H1 H5 109.0 . . . no C2 H1 H6 53.4 . . . no C2 H1 H6 53.3 . . . no C2 H1 H6 132.9 . . . no C2 H1 H6 132.9 . . . no C2 H1 C2 112.2 4_654 4_654 4_654 no C2 H1 C3 123.9 4_654 4_654 4_654 no C2 H1 C3 20.7 4_654 4_654 4_654 no C2 H1 C3 124.4 4_654 4_654 4_654 no C2 H1 C4 120.5 4_654 4_654 4_654 no C2 H1 C6 112.0 4_654 4_654 4_654 no C2 H1 C6 22.1 4_654 4_654 4_654 no C2 H1 C6 114.3 4_654 4_654 4_654 no C2 H1 H2 123.7 4_654 4_654 4_654 no C2 H1 H2 31.6 4_654 4_654 4_654 no C2 H1 H2 140.0 4_654 4_654 4_654 no C2 H1 H3 67.9 4_654 4_654 4_654 no C2 H1 H5 114.2 4_654 4_654 4_654 no C2 H1 H5 31.1 4_654 4_654 4_654 no C2 H1 H5 125.8 4_654 4_654 4_654 no C2 H1 H6 90.9 4_654 4_654 4_654 no C2 H1 H6 117.9 4_654 4_654 4_654 no C2 H1 H6 30.3 4_654 4_654 4_654 no C2 H1 H6 101.5 4_654 4_654 4_654 no C2 H1 C3 123.9 4_664 4_664 4_664 no C2 H1 C3 124.4 4_664 4_664 4_664 no C2 H1 C3 20.7 4_664 4_664 4_664 no C2 H1 C4 120.5 4_664 4_664 4_664 no C2 H1 C6 112.0 4_664 4_664 4_664 no C2 H1 C6 114.3 4_664 4_664 4_664 no C2 H1 C6 22.1 4_664 4_664 4_664 no C2 H1 H2 123.7 4_664 4_664 4_664 no C2 H1 H2 140.0 4_664 4_664 4_664 no C2 H1 H2 31.6 4_664 4_664 4_664 no C2 H1 H3 67.9 4_664 4_664 4_664 no C2 H1 H5 114.2 4_664 4_664 4_664 no C2 H1 H5 125.8 4_664 4_664 4_664 no C2 H1 H5 31.1 4_664 4_664 4_664 no C2 H1 H6 117.9 4_664 4_664 4_664 no C2 H1 H6 90.9 4_664 4_664 4_664 no C2 H1 H6 101.5 4_664 4_664 4_664 no C2 H1 H6 30.2 4_664 4_664 4_664 no C3 H1 C3 110.2 . . . no C3 H1 C3 110.2 . . . no C3 H1 C4 21.8 . . . no C3 H1 C6 50.6 . . . no C3 H1 C6 116.3 . . . no C3 H1 C6 116.3 . . . no C3 H1 H2 8.9 . . . no C3 H1 H2 95.0 . . . no C3 H1 H2 95.0 . . . no C3 H1 H3 129.7 . . . no C3 H1 H5 45.4 . . . no C3 H1 H5 102.8 . . . no C3 H1 H5 102.8 . . . no C3 H1 H6 67.0 . . . no C3 H1 H6 67.0 . . . no C3 H1 H6 124.8 . . . no C3 H1 H6 124.8 . . . no C3 H1 C3 129.3 4_654 4_654 4_654 no C3 H1 C4 114.5 4_654 4_654 4_654 no C3 H1 C6 91.3 4_654 4_654 4_654 no C3 H1 C6 38.6 4_654 4_654 4_654 no C3 H1 C6 132.5 4_654 4_654 4_654 no C3 H1 H2 107.6 4_654 4_654 4_654 no C3 H1 H2 15.6 4_654 4_654 4_654 no C3 H1 H2 142.9 4_654 4_654 4_654 no C3 H1 H3 88.6 4_654 4_654 4_654 no C3 H1 H5 93.5 4_654 4_654 4_654 no C3 H1 H5 41.6 4_654 4_654 4_654 no C3 H1 H5 145.1 4_654 4_654 4_654 no C3 H1 H6 70.4 4_654 4_654 4_654 no C3 H1 H6 99.0 4_654 4_654 4_654 no C3 H1 H6 49.8 4_654 4_654 4_654 no C3 H1 H6 120.8 4_654 4_654 4_654 no C3 H1 C4 114.5 4_664 4_664 4_664 no C3 H1 C6 91.3 4_664 4_664 4_664 no C3 H1 C6 132.5 4_664 4_664 4_664 no C3 H1 C6 38.6 4_664 4_664 4_664 no C3 H1 H2 107.6 4_664 4_664 4_664 no C3 H1 H2 142.9 4_664 4_664 4_664 no C3 H1 H2 15.6 4_664 4_664 4_664 no C3 H1 H3 88.6 4_664 4_664 4_664 no C3 H1 H5 93.5 4_664 4_664 4_664 no C3 H1 H5 145.1 4_664 4_664 4_664 no C3 H1 H5 41.6 4_664 4_664 4_664 no C3 H1 H6 99.1 4_664 4_664 4_664 no C3 H1 H6 70.4 4_664 4_664 4_664 no C3 H1 H6 120.8 4_664 4_664 4_664 no C3 H1 H6 49.8 4_664 4_664 4_664 no C4 H1 C6 72.4 . . . no C4 H1 C6 105.4 . . . no C4 H1 C6 105.4 . . . no C4 H1 H2 30.7 . . . no C4 H1 H2 99.1 . . . no C4 H1 H2 99.1 . . . no C4 H1 H3 107.9 . . . no C4 H1 H5 67.2 . . . no C4 H1 H5 92.3 . . . no C4 H1 H5 92.3 . . . no C4 H1 H6 88.0 . . . no C4 H1 H6 88.0 . . . no C4 H1 H6 109.8 . . . no C4 H1 H6 109.8 . . . no C6 H1 C6 125.7 . . . no C6 H1 C6 125.7 . . . no C6 H1 H2 41.7 . . . no C6 H1 H2 84.0 . . . no C6 H1 H2 84.0 . . . no C6 H1 H3 179.7 . . . no C6 H1 H5 5.1 . . . no C6 H1 H5 119.0 . . . no C6 H1 H5 119.0 . . . no C6 H1 H6 22.0 . . . no C6 H1 H6 22.0 . . . no C6 H1 H6 139.4 . . . no C6 H1 H6 139.4 . . . no C6 H1 C6 107.5 4_654 4_654 4_654 no C6 H1 H2 119.9 4_654 4_654 4_654 no C6 H1 H2 42.0 4_654 4_654 4_654 no C6 H1 H2 146.0 4_654 4_654 4_654 no C6 H1 H3 54.2 4_654 4_654 4_654 no C6 H1 H5 126.1 4_654 4_654 4_654 no C6 H1 H5 13.5 4_654 4_654 4_654 no C6 H1 H5 115.3 4_654 4_654 4_654 no C6 H1 H6 107.3 4_654 4_654 4_654 no C6 H1 H6 137.5 4_654 4_654 4_654 no C6 H1 H6 13.9 4_654 4_654 4_654 no C6 H1 H6 93.6 4_654 4_654 4_654 no C6 H1 H2 119.8 4_664 4_664 4_664 no C6 H1 H2 146.0 4_664 4_664 4_664 no C6 H1 H2 42.0 4_664 4_664 4_664 no C6 H1 H3 54.2 4_664 4_664 4_664 no C6 H1 H5 126.2 4_664 4_664 4_664 no C6 H1 H5 115.3 4_664 4_664 4_664 no C6 H1 H5 13.5 4_664 4_664 4_664 no C6 H1 H6 137.5 4_664 4_664 4_664 no C6 H1 H6 107.3 4_664 4_664 4_664 no C6 H1 H6 93.6 4_664 4_664 4_664 no C6 H1 H6 13.9 4_664 4_664 4_664 no H2 H1 H2 93.1 . . . no H2 H1 H2 93.1 . . . no H2 H1 H3 138.6 . . . no H2 H1 H5 36.6 . . . no H2 H1 H5 106.7 . . . no H2 H1 H5 106.7 . . . no H2 H1 H6 58.6 . . . no H2 H1 H6 58.6 . . . no H2 H1 H6 130.0 . . . no H2 H1 H6 130.0 . . . no H2 H1 H2 154.1 4_654 4_654 4_654 no H2 H1 H3 96.0 4_654 4_654 4_654 no H2 H1 H5 85.0 4_654 4_654 4_654 no H2 H1 H5 39.4 4_654 4_654 4_654 no H2 H1 H5 156.7 4_654 4_654 4_654 no H2 H1 H6 65.6 4_654 4_654 4_654 no H2 H1 H6 96.7 4_654 4_654 4_654 no H2 H1 H6 55.4 4_654 4_654 4_654 no H2 H1 H6 132.9 4_654 4_654 4_654 no H2 H1 H3 95.9 4_664 4_664 4_664 no H2 H1 H5 85.1 4_664 4_664 4_664 no H2 H1 H5 156.7 4_664 4_664 4_664 no H2 H1 H5 39.4 4_664 4_664 4_664 no H2 H1 H6 96.8 4_664 4_664 4_664 no H2 H1 H6 65.6 4_664 4_664 4_664 no H2 H1 H6 132.9 4_664 4_664 4_664 no H2 H1 H6 55.4 4_664 4_664 4_664 no H3 H1 H5 175.1 1_554 1_554 1_554 no H3 H1 H5 61.1 1_554 1_554 1_554 no H3 H1 H5 61.1 1_554 1_554 1_554 no H3 H1 H6 157.8 1_554 1_554 1_554 no H3 H1 H6 157.8 1_554 1_554 1_554 no H3 H1 H6 40.6 1_554 1_554 1_554 no H3 H1 H6 40.6 1_554 1_554 1_554 no H5 H1 H5 118.2 . . . no H5 H1 H5 118.2 . . . no H5 H1 H6 25.8 . . . no H5 H1 H6 25.8 . . . no H5 H1 H6 140.0 . . . no H5 H1 H6 140.0 . . . no H5 H1 H5 120.4 4_654 4_654 4_654 no H5 H1 H6 104.0 4_654 4_654 4_654 no H5 H1 H6 135.6 4_654 4_654 4_654 no H5 H1 H6 24.4 4_654 4_654 4_654 no H5 H1 H6 101.6 4_654 4_654 4_654 no H5 H1 H6 135.6 4_664 4_664 4_664 no H5 H1 H6 104.0 4_664 4_664 4_664 no H5 H1 H6 101.6 4_664 4_664 4_664 no H5 H1 H6 24.4 4_664 4_664 4_664 no H6 H1 H6 31.6 . . . no H6 H1 H6 120.0 . . . no H6 H1 H6 148.1 . . . no H6 H1 H6 148.1 7 7 7 no H6 H1 H6 120.0 7 7 7 no H6 H1 H6 79.7 4_654 4_654 4_654 no O2 H2 O3 98.5 4_655 4_655 4_655 no O2 H2 O3 98.5 4_655 4_655 4_655 no O2 H2 O3 46.9 4_655 4_655 4_655 no O2 H2 O4 123.4 4_655 4_655 4_655 no O2 H2 O4 123.5 4_655 4_655 4_655 no O2 H2 N1 159.8 4_655 4_655 4_655 no O2 H2 N2 116.9 4_655 4_655 4_655 no O2 H2 N2 64.7 4_655 4_655 4_655 no O2 H2 N2 64.7 4_655 4_655 4_655 no O2 H2 N3 117.2 4_655 4_655 4_655 no O2 H2 N3 117.2 4_655 4_655 4_655 no O2 H2 N3 23.2 4_655 4_655 4_655 no O2 H2 C1 138.4 4_655 4_655 4_655 no O2 H2 C2 102.5 4_655 4_655 4_655 no O2 H2 C2 68.5 4_655 4_655 4_655 no O2 H2 C2 68.5 4_655 4_655 4_655 no O2 H2 C3 138.6 4_655 4_655 4_655 no O2 H2 C4 174.7 4_655 4_655 4_655 no O2 H2 C5 152.0 4_655 4_655 4_655 no O2 H2 C6 68.7 4_655 4_655 4_655 no O2 H2 C6 89.2 4_655 4_655 4_655 no O2 H2 C6 89.2 4_655 4_655 4_655 no O2 H2 H1 108.0 4_655 4_655 4_655 no O2 H2 H1 77.3 4_655 4_655 4_655 no O2 H2 H1 77.4 4_655 4_655 4_655 no O2 H2 H3 131.2 4_655 4_655 4_655 no O2 H2 H4 150.0 4_655 4_655 4_655 no O2 H2 H4 150.0 4_655 4_655 4_655 no O2 H2 H5 48.3 4_655 4_655 4_655 no O2 H2 H6 71.8 4_655 4_655 4_655 no O2 H2 H6 71.8 4_655 4_655 4_655 no O2 H2 H6 98.9 4_655 4_655 4_655 no O2 H2 H6 98.9 4_655 4_655 4_655 no O3 H2 O3 124.1 . . . no O3 H2 O3 115.2 . . . no O3 H2 O4 33.8 . . . no O3 H2 O4 130.0 . . . no O3 H2 N1 73.0 . . . no O3 H2 N2 62.4 . . . no O3 H2 N2 46.5 . . . no O3 H2 N2 154.1 . . . no O3 H2 N3 19.1 . . . no O3 H2 N3 120.8 . . . no O3 H2 N3 108.1 . . . no O3 H2 C1 66.1 . . . no O3 H2 C2 62.2 . . . no O3 H2 C2 61.2 . . . no O3 H2 C2 167.0 . . . no O3 H2 C3 66.1 . . . no O3 H2 C4 79.1 . . . no O3 H2 C5 94.5 . . . no O3 H2 C6 68.9 . . . no O3 H2 C6 62.8 . . . no O3 H2 C6 168.2 . . . no O3 H2 H1 62.1 . . . no O3 H2 H1 31.8 . . . no O3 H2 H1 150.7 . . . no O3 H2 H3 103.7 . . . no O3 H2 H4 82.1 . . . no O3 H2 H4 105.9 . . . no O3 H2 H5 76.5 . . . no O3 H2 H6 57.3 . . . no O3 H2 H6 78.9 . . . no O3 H2 H6 62.5 . . . no O3 H2 H6 160.0 . . . no O3 H2 O3 115.2 1_565 1_565 1_565 no O3 H2 O4 129.9 1_565 1_565 1_565 no O3 H2 O4 33.8 1_565 1_565 1_565 no O3 H2 N1 73.0 1_565 1_565 1_565 no O3 H2 N2 62.4 1_565 1_565 1_565 no O3 H2 N2 154.1 1_565 1_565 1_565 no O3 H2 N2 46.5 1_565 1_565 1_565 no O3 H2 N3 120.8 1_565 1_565 1_565 no O3 H2 N3 19.1 1_565 1_565 1_565 no O3 H2 N3 108.2 1_565 1_565 1_565 no O3 H2 C1 66.1 1_565 1_565 1_565 no O3 H2 C2 62.2 1_565 1_565 1_565 no O3 H2 C2 167.0 1_565 1_565 1_565 no O3 H2 C2 61.2 1_565 1_565 1_565 no O3 H2 C3 66.1 1_565 1_565 1_565 no O3 H2 C4 79.1 1_565 1_565 1_565 no O3 H2 C5 94.4 1_565 1_565 1_565 no O3 H2 C6 68.9 1_565 1_565 1_565 no O3 H2 C6 168.2 1_565 1_565 1_565 no O3 H2 C6 62.8 1_565 1_565 1_565 no O3 H2 H1 62.1 1_565 1_565 1_565 no O3 H2 H1 150.7 1_565 1_565 1_565 no O3 H2 H1 31.8 1_565 1_565 1_565 no O3 H2 H3 103.7 1_565 1_565 1_565 no O3 H2 H4 105.9 1_565 1_565 1_565 no O3 H2 H4 82.1 1_565 1_565 1_565 no O3 H2 H5 76.5 1_565 1_565 1_565 no O3 H2 H6 78.9 1_565 1_565 1_565 no O3 H2 H6 57.3 1_565 1_565 1_565 no O3 H2 H6 160.0 1_565 1_565 1_565 no O3 H2 H6 62.5 1_565 1_565 1_565 no O3 H2 O4 113.4 4_655 4_655 4_655 no O3 H2 O4 113.4 4_655 4_655 4_655 no O3 H2 N1 153.3 4_655 4_655 4_655 no O3 H2 N2 163.8 4_655 4_655 4_655 no O3 H2 N2 68.8 4_655 4_655 4_655 no O3 H2 N2 68.8 4_655 4_655 4_655 no O3 H2 N3 123.8 4_655 4_655 4_655 no O3 H2 N3 123.8 4_655 4_655 4_655 no O3 H2 N3 23.7 4_655 4_655 4_655 no O3 H2 C1 174.7 4_655 4_655 4_655 no O3 H2 C2 149.5 4_655 4_655 4_655 no O3 H2 C2 55.5 4_655 4_655 4_655 no O3 H2 C2 55.5 4_655 4_655 4_655 no O3 H2 C3 174.5 4_655 4_655 4_655 no O3 H2 C4 138.4 4_655 4_655 4_655 no O3 H2 C5 105.1 4_655 4_655 4_655 no O3 H2 C6 115.7 4_655 4_655 4_655 no O3 H2 C6 64.2 4_655 4_655 4_655 no O3 H2 C6 64.2 4_655 4_655 4_655 no O3 H2 H1 154.9 4_655 4_655 4_655 no O3 H2 H1 83.5 4_655 4_655 4_655 no O3 H2 H1 83.5 4_655 4_655 4_655 no O3 H2 H3 84.3 4_655 4_655 4_655 no O3 H2 H4 105.6 4_655 4_655 4_655 no O3 H2 H4 105.6 4_655 4_655 4_655 no O3 H2 H5 95.2 4_655 4_655 4_655 no O3 H2 H6 117.7 4_655 4_655 4_655 no O3 H2 H6 117.7 4_655 4_655 4_655 no O3 H2 H6 71.0 4_655 4_655 4_655 no O3 H2 H6 71.1 4_655 4_655 4_655 no O4 H2 O4 113.0 . . . no O4 H2 N1 58.2 . . . no O4 H2 N2 74.0 . . . no O4 H2 N2 59.3 . . . no O4 H2 N2 171.2 . . . no O4 H2 N3 18.4 . . . no O4 H2 N3 115.2 . . . no O4 H2 N3 121.2 . . . no O4 H2 C1 64.4 . . . no O4 H2 C2 81.5 . . . no O4 H2 C2 61.8 . . . no O4 H2 C2 154.4 . . . no O4 H2 C3 64.4 . . . no O4 H2 C4 56.5 . . . no O4 H2 C5 61.8 . . . no O4 H2 C6 99.9 . . . no O4 H2 C6 49.2 . . . no O4 H2 C6 134.6 . . . no O4 H2 H1 78.6 . . . no O4 H2 H1 46.1 . . . no O4 H2 H1 158.7 . . . no O4 H2 H3 70.1 . . . no O4 H2 H4 48.8 . . . no O4 H2 H4 74.3 . . . no O4 H2 H5 110.2 . . . no O4 H2 H6 88.9 . . . no O4 H2 H6 108.0 . . . no O4 H2 H6 43.2 . . . no O4 H2 H6 126.4 . . . no O4 H2 N1 58.2 1_565 1_565 1_565 no O4 H2 N2 74.0 1_565 1_565 1_565 no O4 H2 N2 171.2 1_565 1_565 1_565 no O4 H2 N2 59.3 1_565 1_565 1_565 no O4 H2 N3 115.2 1_565 1_565 1_565 no O4 H2 N3 18.4 1_565 1_565 1_565 no O4 H2 N3 121.2 1_565 1_565 1_565 no O4 H2 C1 64.4 1_565 1_565 1_565 no O4 H2 C2 81.5 1_565 1_565 1_565 no O4 H2 C2 154.4 1_565 1_565 1_565 no O4 H2 C2 61.8 1_565 1_565 1_565 no O4 H2 C3 64.3 1_565 1_565 1_565 no O4 H2 C4 56.5 1_565 1_565 1_565 no O4 H2 C5 61.7 1_565 1_565 1_565 no O4 H2 C6 100.0 1_565 1_565 1_565 no O4 H2 C6 134.6 1_565 1_565 1_565 no O4 H2 C6 49.2 1_565 1_565 1_565 no O4 H2 H1 78.6 1_565 1_565 1_565 no O4 H2 H1 158.7 1_565 1_565 1_565 no O4 H2 H1 46.1 1_565 1_565 1_565 no O4 H2 H3 70.1 1_565 1_565 1_565 no O4 H2 H4 74.3 1_565 1_565 1_565 no O4 H2 H4 48.8 1_565 1_565 1_565 no O4 H2 H5 110.2 1_565 1_565 1_565 no O4 H2 H6 108.0 1_565 1_565 1_565 no O4 H2 H6 88.9 1_565 1_565 1_565 no O4 H2 H6 126.4 1_565 1_565 1_565 no O4 H2 H6 43.2 1_565 1_565 1_565 no N1 H2 N2 42.9 . . . no N1 H2 N2 115.8 . . . no N1 H2 N2 115.7 . . . no N1 H2 N3 57.0 . . . no N1 H2 N3 57.0 . . . no N1 H2 N3 177.0 . . . no N1 H2 C1 21.4 . . . no N1 H2 C2 57.3 . . . no N1 H2 C2 119.6 . . . no N1 H2 C2 119.5 . . . no N1 H2 C3 21.2 . . . no N1 H2 C4 14.9 . . . no N1 H2 C5 48.2 . . . no N1 H2 C6 91.1 . . . no N1 H2 C6 102.4 . . . no N1 H2 C6 102.3 . . . no N1 H2 H1 51.8 . . . no N1 H2 H1 100.9 . . . no N1 H2 H1 100.9 . . . no N1 H2 H3 69.0 . . . no N1 H2 H4 48.7 . . . no N1 H2 H4 48.7 . . . no N1 H2 H5 111.5 . . . no N1 H2 H6 88.4 . . . no N1 H2 H6 88.4 . . . no N1 H2 H6 93.4 . . . no N1 H2 H6 93.4 . . . no N2 H2 N2 106.2 . . . no N2 H2 N2 106.2 . . . no N2 H2 N3 59.6 . . . no N2 H2 N3 59.6 . . . no N2 H2 N3 140.1 . . . no N2 H2 C1 21.5 . . . no N2 H2 C2 14.3 . . . no N2 H2 C2 123.4 . . . no N2 H2 C2 123.4 . . . no N2 H2 C3 21.7 . . . no N2 H2 C4 57.8 . . . no N2 H2 C5 91.1 . . . no N2 H2 C6 48.1 . . . no N2 H2 C6 121.7 . . . no N2 H2 C6 121.7 . . . no N2 H2 H1 8.9 . . . no N2 H2 H1 93.2 . . . no N2 H2 H1 93.2 . . . no N2 H2 H3 111.9 . . . no N2 H2 H4 90.2 . . . no N2 H2 H4 90.2 . . . no N2 H2 H5 68.6 . . . no N2 H2 H6 46.6 . . . no N2 H2 H6 46.5 . . . no N2 H2 H6 117.1 . . . no N2 H2 H6 117.1 . . . no N2 H2 N2 128.0 4_655 4_655 4_655 no N2 H2 N3 59.1 4_655 4_655 4_655 no N2 H2 N3 165.5 4_655 4_655 4_655 no N2 H2 N3 64.5 4_655 4_655 4_655 no N2 H2 C1 112.5 4_655 4_655 4_655 no N2 H2 C2 100.7 4_655 4_655 4_655 no N2 H2 C2 20.2 4_655 4_655 4_655 no N2 H2 C2 122.9 4_655 4_655 4_655 no N2 H2 C3 112.6 4_655 4_655 4_655 no N2 H2 C4 115.8 4_655 4_655 4_655 no N2 H2 C5 109.5 4_655 4_655 4_655 no N2 H2 C6 86.2 4_655 4_655 4_655 no N2 H2 C6 37.7 4_655 4_655 4_655 no N2 H2 C6 132.0 4_655 4_655 4_655 no N2 H2 H1 102.9 4_655 4_655 4_655 no N2 H2 H1 15.2 4_655 4_655 4_655 no N2 H2 H1 141.9 4_655 4_655 4_655 no N2 H2 H3 102.1 4_655 4_655 4_655 no N2 H2 H4 96.9 4_655 4_655 4_655 no N2 H2 H4 122.5 4_655 4_655 4_655 no N2 H2 H5 77.7 4_655 4_655 4_655 no N2 H2 H6 77.2 4_655 4_655 4_655 no N2 H2 H6 97.5 4_655 4_655 4_655 no N2 H2 H6 45.3 4_655 4_655 4_655 no N2 H2 H6 136.3 4_655 4_655 4_655 no N2 H2 N3 165.5 4_665 4_665 4_665 no N2 H2 N3 59.1 4_665 4_665 4_665 no N2 H2 N3 64.5 4_665 4_665 4_665 no N2 H2 C1 112.5 4_665 4_665 4_665 no N2 H2 C2 100.7 4_665 4_665 4_665 no N2 H2 C2 122.9 4_665 4_665 4_665 no N2 H2 C2 20.2 4_665 4_665 4_665 no N2 H2 C3 112.6 4_665 4_665 4_665 no N2 H2 C4 115.8 4_665 4_665 4_665 no N2 H2 C5 109.5 4_665 4_665 4_665 no N2 H2 C6 86.2 4_665 4_665 4_665 no N2 H2 C6 132.0 4_665 4_665 4_665 no N2 H2 C6 37.7 4_665 4_665 4_665 no N2 H2 H1 102.9 4_665 4_665 4_665 no N2 H2 H1 141.9 4_665 4_665 4_665 no N2 H2 H1 15.2 4_665 4_665 4_665 no N2 H2 H3 102.1 4_665 4_665 4_665 no N2 H2 H4 122.5 4_665 4_665 4_665 no N2 H2 H4 96.8 4_665 4_665 4_665 no N2 H2 H5 77.7 4_665 4_665 4_665 no N2 H2 H6 97.6 4_665 4_665 4_665 no N2 H2 H6 77.2 4_665 4_665 4_665 no N2 H2 H6 136.3 4_665 4_665 4_665 no N2 H2 H6 45.3 4_665 4_665 4_665 no N3 H2 N3 111.0 . . . no N3 H2 N3 123.5 . . . no N3 H2 C1 55.7 . . . no N3 H2 C2 64.7 . . . no N3 H2 C2 68.5 . . . no N3 H2 C2 172.4 . . . no N3 H2 C3 55.6 . . . no N3 H2 C4 60.9 . . . no N3 H2 C5 75.8 . . . no N3 H2 C6 81.5 . . . no N3 H2 C6 62.1 . . . no N3 H2 C6 150.6 . . . no N3 H2 H1 62.6 . . . no N3 H2 H1 44.0 . . . no N3 H2 H1 152.4 . . . no N3 H2 H3 87.2 . . . no N3 H2 H4 64.0 . . . no N3 H2 H4 86.8 . . . no N3 H2 H5 93.0 . . . no N3 H2 H6 70.7 . . . no N3 H2 H6 89.6 . . . no N3 H2 H6 58.2 . . . no N3 H2 H6 141.3 . . . no N3 H2 N3 123.5 1_565 1_565 1_565 no N3 H2 C1 55.7 1_565 1_565 1_565 no N3 H2 C2 64.8 1_565 1_565 1_565 no N3 H2 C2 172.4 1_565 1_565 1_565 no N3 H2 C2 68.5 1_565 1_565 1_565 no N3 H2 C3 55.6 1_565 1_565 1_565 no N3 H2 C4 60.9 1_565 1_565 1_565 no N3 H2 C5 75.7 1_565 1_565 1_565 no N3 H2 C6 81.6 1_565 1_565 1_565 no N3 H2 C6 150.6 1_565 1_565 1_565 no N3 H2 C6 62.1 1_565 1_565 1_565 no N3 H2 H1 62.6 1_565 1_565 1_565 no N3 H2 H1 152.4 1_565 1_565 1_565 no N3 H2 H1 44.0 1_565 1_565 1_565 no N3 H2 H3 87.2 1_565 1_565 1_565 no N3 H2 H4 86.8 1_565 1_565 1_565 no N3 H2 H4 63.9 1_565 1_565 1_565 no N3 H2 H5 93.1 1_565 1_565 1_565 no N3 H2 H6 89.6 1_565 1_565 1_565 no N3 H2 H6 70.7 1_565 1_565 1_565 no N3 H2 H6 141.3 1_565 1_565 1_565 no N3 H2 H6 58.2 1_565 1_565 1_565 no N3 H2 C1 161.6 4_655 4_655 4_655 no N3 H2 C2 125.8 4_655 4_655 4_655 no N3 H2 C2 59.5 4_655 4_655 4_655 no N3 H2 C2 59.5 4_655 4_655 4_655 no N3 H2 C3 161.8 4_655 4_655 4_655 no N3 H2 C4 162.1 4_655 4_655 4_655 no N3 H2 C5 128.8 4_655 4_655 4_655 no N3 H2 C6 92.0 4_655 4_655 4_655 no N3 H2 C6 76.0 4_655 4_655 4_655 no N3 H2 C6 76.0 4_655 4_655 4_655 no N3 H2 H1 131.2 4_655 4_655 4_655 no N3 H2 H1 79.5 4_655 4_655 4_655 no N3 H2 H1 79.5 4_655 4_655 4_655 no N3 H2 H3 107.9 4_655 4_655 4_655 no N3 H2 H4 128.4 4_655 4_655 4_655 no N3 H2 H4 128.4 4_655 4_655 4_655 no N3 H2 H5 71.5 4_655 4_655 4_655 no N3 H2 H6 94.6 4_655 4_655 4_655 no N3 H2 H6 94.6 4_655 4_655 4_655 no N3 H2 H6 84.8 4_655 4_655 4_655 no N3 H2 H6 84.8 4_655 4_655 4_655 no C1 H2 C2 35.8 . . . no C1 H2 C2 124.1 . . . no C1 H2 C2 124.1 . . . no C1 H2 C3 0.2 . . . no C1 H2 C4 36.3 . . . no C1 H2 C5 69.6 . . . no C1 H2 C6 69.7 . . . no C1 H2 C6 113.4 . . . no C1 H2 C6 113.4 . . . no C1 H2 H1 30.4 . . . no C1 H2 H1 97.5 . . . no C1 H2 H1 97.5 . . . no C1 H2 H3 90.4 . . . no C1 H2 H4 69.3 . . . no C1 H2 H4 69.3 . . . no C1 H2 H5 90.1 . . . no C1 H2 H6 67.4 . . . no C1 H2 H6 67.4 . . . no C1 H2 H6 106.0 . . . no C1 H2 H6 106.0 . . . no C2 H2 C2 120.1 . . . no C2 H2 C2 120.1 . . . no C2 H2 C3 36.1 . . . no C2 H2 C4 72.1 . . . no C2 H2 C5 105.4 . . . no C2 H2 C6 33.8 . . . no C2 H2 C6 124.9 . . . no C2 H2 C6 124.9 . . . no C2 H2 H1 5.4 . . . no C2 H2 H1 90.0 . . . no C2 H2 H1 90.0 . . . no C2 H2 H3 126.3 . . . no C2 H2 H4 104.1 . . . no C2 H2 H4 104.1 . . . no C2 H2 H5 54.2 . . . no C2 H2 H6 32.9 . . . no C2 H2 H6 32.9 . . . no C2 H2 H6 122.8 . . . no C2 H2 H6 122.8 . . . no C2 H2 C2 111.0 4_655 4_655 4_655 no C2 H2 C3 124.1 4_655 4_655 4_655 no C2 H2 C4 113.9 4_655 4_655 4_655 no C2 H2 C5 97.0 4_655 4_655 4_655 no C2 H2 C6 105.6 4_655 4_655 4_655 no C2 H2 C6 22.1 4_655 4_655 4_655 no C2 H2 C6 114.4 4_655 4_655 4_655 no C2 H2 H1 121.6 4_655 4_655 4_655 no C2 H2 H1 30.4 4_655 4_655 4_655 no C2 H2 H1 138.1 4_655 4_655 4_655 no C2 H2 H3 85.2 4_655 4_655 4_655 no C2 H2 H4 86.3 4_655 4_655 4_655 no C2 H2 H4 108.6 4_655 4_655 4_655 no C2 H2 H5 94.5 4_655 4_655 4_655 no C2 H2 H6 97.2 4_655 4_655 4_655 no C2 H2 H6 116.7 4_655 4_655 4_655 no C2 H2 H6 31.6 4_655 4_655 4_655 no C2 H2 H6 117.1 4_655 4_655 4_655 no C2 H2 C3 124.1 4_665 4_665 4_665 no C2 H2 C4 113.9 4_665 4_665 4_665 no C2 H2 C5 96.9 4_665 4_665 4_665 no C2 H2 C6 105.7 4_665 4_665 4_665 no C2 H2 C6 114.4 4_665 4_665 4_665 no C2 H2 C6 22.1 4_665 4_665 4_665 no C2 H2 H1 121.6 4_665 4_665 4_665 no C2 H2 H1 138.1 4_665 4_665 4_665 no C2 H2 H1 30.4 4_665 4_665 4_665 no C2 H2 H3 85.2 4_665 4_665 4_665 no C2 H2 H4 108.5 4_665 4_665 4_665 no C2 H2 H4 86.2 4_665 4_665 4_665 no C2 H2 H5 94.5 4_665 4_665 4_665 no C2 H2 H6 116.7 4_665 4_665 4_665 no C2 H2 H6 97.2 4_665 4_665 4_665 no C2 H2 H6 117.1 4_665 4_665 4_665 no C2 H2 H6 31.6 4_665 4_665 4_665 no C3 H2 C4 36.1 . . . no C3 H2 C5 69.4 . . . no C3 H2 C6 69.9 . . . no C3 H2 C6 113.3 . . . no C3 H2 C6 113.3 . . . no C3 H2 H1 30.6 . . . no C3 H2 H1 97.6 . . . no C3 H2 H1 97.6 . . . no C3 H2 H3 90.2 . . . no C3 H2 H4 69.0 . . . no C3 H2 H4 69.0 . . . no C3 H2 H5 90.3 . . . no C3 H2 H6 67.7 . . . no C3 H2 H6 67.7 . . . no C3 H2 H6 105.9 . . . no C3 H2 H6 105.9 . . . no C4 H2 C5 33.3 . . . no C4 H2 C6 105.9 . . . no C4 H2 C6 93.9 . . . no C4 H2 C6 93.9 . . . no C4 H2 H1 66.7 . . . no C4 H2 H1 102.3 . . . no C4 H2 H1 102.3 . . . no C4 H2 H3 54.2 . . . no C4 H2 H4 34.8 . . . no C4 H2 H4 34.8 . . . no C4 H2 H5 126.4 . . . no C4 H2 H6 103.0 . . . no C4 H2 H6 103.0 . . . no C4 H2 H6 84.3 . . . no C4 H2 H6 84.3 . . . no C5 H2 C6 139.2 . . . no C5 H2 C6 74.9 . . . no C5 H2 C6 74.8 . . . no C5 H2 H1 100.0 . . . no C5 H2 H1 102.5 . . . no C5 H2 H1 102.5 . . . no C5 H2 H3 20.9 . . . no C5 H2 H4 13.5 . . . no C5 H2 H4 13.5 . . . no C5 H2 H5 159.7 . . . no C5 H2 H6 135.4 . . . no C5 H2 H6 135.4 . . . no C5 H2 H6 65.7 . . . no C5 H2 H6 65.6 . . . no C6 H2 C6 122.5 . . . no C6 H2 C6 122.6 . . . no C6 H2 H1 39.2 . . . no C6 H2 H1 82.8 . . . no C6 H2 H1 82.8 . . . no C6 H2 H3 160.1 . . . no C6 H2 H4 136.6 . . . no C6 H2 H4 136.6 . . . no C6 H2 H5 20.4 . . . no C6 H2 H6 11.6 . . . no C6 H2 H6 11.6 . . . no C6 H2 H6 127.2 . . . no C6 H2 H6 127.2 . . . no C6 H2 C6 108.7 4_655 4_655 4_655 no C6 H2 H1 123.9 4_655 4_655 4_655 no C6 H2 H1 40.0 4_655 4_655 4_655 no C6 H2 H1 144.8 4_655 4_655 4_655 no C6 H2 H3 64.6 4_655 4_655 4_655 no C6 H2 H4 64.2 4_655 4_655 4_655 no C6 H2 H4 86.8 4_655 4_655 4_655 no C6 H2 H5 115.2 4_655 4_655 4_655 no C6 H2 H6 112.2 4_655 4_655 4_655 no C6 H2 H6 134.2 4_655 4_655 4_655 no C6 H2 H6 9.7 4_655 4_655 4_655 no C6 H2 H6 107.7 4_655 4_655 4_655 no C6 H2 H1 123.9 4_665 4_665 4_665 no C6 H2 H1 144.8 4_665 4_665 4_665 no C6 H2 H1 40.0 4_665 4_665 4_665 no C6 H2 H3 64.5 4_665 4_665 4_665 no C6 H2 H4 86.7 4_665 4_665 4_665 no C6 H2 H4 64.2 4_665 4_665 4_665 no C6 H2 H5 115.2 4_665 4_665 4_665 no C6 H2 H6 134.2 4_665 4_665 4_665 no C6 H2 H6 112.2 4_665 4_665 4_665 no C6 H2 H6 107.7 4_665 4_665 4_665 no C6 H2 H6 9.7 4_665 4_665 4_665 no H1 H2 H1 91.2 . . . no H1 H2 H1 91.2 . . . no H1 H2 H3 120.9 . . . no H1 H2 H4 98.8 . . . no H1 H2 H4 98.8 . . . no H1 H2 H5 59.7 . . . no H1 H2 H6 38.0 . . . no H1 H2 H6 38.0 . . . no H1 H2 H6 120.8 . . . no H1 H2 H6 120.8 . . . no H1 H2 H1 154.1 4_655 4_655 4_655 no H1 H2 H3 100.4 4_655 4_655 4_655 no H1 H2 H4 89.1 4_655 4_655 4_655 no H1 H2 H4 116.0 4_655 4_655 4_655 no H1 H2 H5 79.5 4_655 4_655 4_655 no H1 H2 H6 72.2 4_655 4_655 4_655 no H1 H2 H6 94.4 4_655 4_655 4_655 no H1 H2 H6 44.7 4_655 4_655 4_655 no H1 H2 H6 146.7 4_655 4_655 4_655 no H1 H2 H3 100.4 4_665 4_665 4_665 no H1 H2 H4 116.0 4_665 4_665 4_665 no H1 H2 H4 89.1 4_665 4_665 4_665 no H1 H2 H5 79.5 4_665 4_665 4_665 no H1 H2 H6 94.5 4_665 4_665 4_665 no H1 H2 H6 72.2 4_665 4_665 4_665 no H1 H2 H6 146.7 4_665 4_665 4_665 no H1 H2 H6 44.7 4_665 4_665 4_665 no H3 H2 H4 25.4 . . . no H3 H2 H4 25.4 . . . no H3 H2 H5 179.5 . . . no H3 H2 H6 154.9 . . . no H3 H2 H6 154.8 . . . no H3 H2 H6 57.0 . . . no H3 H2 H6 57.0 . . . no H4 H2 H4 26.9 . . . no H4 H2 H5 155.0 . . . no H4 H2 H6 129.5 . . . no H4 H2 H6 136.7 . . . no H4 H2 H6 54.7 . . . no H4 H2 H6 77.9 . . . no H4 H2 H5 155.0 7 7 7 no H4 H2 H6 136.7 7 7 7 no H4 H2 H6 129.5 7 7 7 no H4 H2 H6 77.9 7 7 7 no H4 H2 H6 54.6 7 7 7 no H5 H2 H6 25.6 . . . no H5 H2 H6 25.6 . . . no H5 H2 H6 122.8 . . . no H5 H2 H6 122.8 . . . no H6 H2 H6 22.7 . . . no H6 H2 H6 116.1 . . . no H6 H2 H6 138.7 . . . no H6 H2 H6 138.7 7 7 7 no H6 H2 H6 116.1 7 7 7 no H6 H2 H6 105.0 4_655 4_655 4_655 no CL1 H3 CL1 106.3 3_647 3_647 3_647 no CL1 H3 O1 73.2 3_647 3_647 3_647 no CL1 H3 O3 112.0 3_647 3_647 3_647 no CL1 H3 O4 59.2 3_647 3_647 3_647 no CL1 H3 O4 148.4 3_647 3_647 3_647 no CL1 H3 N1 103.1 3_647 3_647 3_647 no CL1 H3 C1 77.8 3_647 3_647 3_647 no CL1 H3 C2 123.2 3_647 3_647 3_647 no CL1 H3 C3 123.9 3_647 3_647 3_647 no CL1 H3 C4 110.4 3_647 3_647 3_647 no CL1 H3 C5 84.9 3_647 3_647 3_647 no CL1 H3 C6 52.9 3_647 3_647 3_647 no CL1 H3 C6 144.4 3_647 3_647 3_647 no CL1 H3 C7 90.2 3_647 3_647 3_647 no CL1 H3 H1 95.9 3_647 3_647 3_647 no CL1 H3 H2 126.8 3_647 3_647 3_647 no CL1 H3 H4 50.3 3_647 3_647 3_647 no CL1 H3 H4 98.6 3_647 3_647 3_647 no CL1 H3 H5 48.4 3_647 3_647 3_647 no CL1 H3 H5 130.6 3_647 3_647 3_647 no CL1 H3 H6 47.0 3_647 3_647 3_647 no CL1 H3 H6 52.6 3_647 3_647 3_647 no CL1 H3 H6 150.3 3_647 3_647 3_647 no CL1 H3 H6 149.4 3_647 3_647 3_647 no CL1 H3 O1 73.2 3_657 3_657 3_657 no CL1 H3 O3 112.0 3_657 3_657 3_657 no CL1 H3 O4 148.4 3_657 3_657 3_657 no CL1 H3 O4 59.2 3_657 3_657 3_657 no CL1 H3 N1 103.1 3_657 3_657 3_657 no CL1 H3 C1 77.8 3_657 3_657 3_657 no CL1 H3 C2 123.3 3_657 3_657 3_657 no CL1 H3 C3 123.9 3_657 3_657 3_657 no CL1 H3 C4 110.4 3_657 3_657 3_657 no CL1 H3 C5 84.9 3_657 3_657 3_657 no CL1 H3 C6 144.4 3_657 3_657 3_657 no CL1 H3 C6 52.9 3_657 3_657 3_657 no CL1 H3 C7 90.1 3_657 3_657 3_657 no CL1 H3 H1 95.9 3_657 3_657 3_657 no CL1 H3 H2 126.9 3_657 3_657 3_657 no CL1 H3 H4 98.6 3_657 3_657 3_657 no CL1 H3 H4 50.3 3_657 3_657 3_657 no CL1 H3 H5 130.6 3_657 3_657 3_657 no CL1 H3 H5 48.4 3_657 3_657 3_657 no CL1 H3 H6 149.5 3_657 3_657 3_657 no CL1 H3 H6 150.3 3_657 3_657 3_657 no CL1 H3 H6 52.6 3_657 3_657 3_657 no CL1 H3 H6 47.0 3_657 3_657 3_657 no O1 H3 O3 67.5 1_556 1_556 1_556 no O1 H3 O4 121.4 1_556 1_556 1_556 no O1 H3 O4 121.4 1_556 1_556 1_556 no O1 H3 N1 173.3 1_556 1_556 1_556 no O1 H3 C1 8.2 1_556 1_556 1_556 no O1 H3 C2 142.8 1_556 1_556 1_556 no O1 H3 C3 140.4 1_556 1_556 1_556 no O1 H3 C4 173.4 1_556 1_556 1_556 no O1 H3 C5 142.6 1_556 1_556 1_556 no O1 H3 C6 73.0 1_556 1_556 1_556 no O1 H3 C6 73.0 1_556 1_556 1_556 no O1 H3 C7 151.4 1_556 1_556 1_556 no O1 H3 H1 38.7 1_556 1_556 1_556 no O1 H3 H2 118.1 1_556 1_556 1_556 no O1 H3 H4 118.5 1_556 1_556 1_556 no O1 H3 H4 118.5 1_556 1_556 1_556 no O1 H3 H5 59.8 1_556 1_556 1_556 no O1 H3 H5 59.7 1_556 1_556 1_556 no O1 H3 H6 83.2 1_556 1_556 1_556 no O1 H3 H6 80.0 1_556 1_556 1_556 no O1 H3 H6 80.0 1_556 1_556 1_556 no O1 H3 H6 83.2 1_556 1_556 1_556 no O3 H3 O4 99.6 4_655 4_655 4_655 no O3 H3 O4 99.7 4_655 4_655 4_655 no O3 H3 N1 119.2 4_655 4_655 4_655 no O3 H3 C1 59.2 4_655 4_655 4_655 no O3 H3 C2 75.3 4_655 4_655 4_655 no O3 H3 C3 72.9 4_655 4_655 4_655 no O3 H3 C4 105.9 4_655 4_655 4_655 no O3 H3 C5 149.9 4_655 4_655 4_655 no O3 H3 C6 63.5 4_655 4_655 4_655 no O3 H3 C6 63.5 4_655 4_655 4_655 no O3 H3 C7 141.1 4_655 4_655 4_655 no O3 H3 H1 28.8 4_655 4_655 4_655 no O3 H3 H2 50.6 4_655 4_655 4_655 no O3 H3 H4 148.8 4_655 4_655 4_655 no O3 H3 H4 148.8 4_655 4_655 4_655 no O3 H3 H5 64.0 4_655 4_655 4_655 no O3 H3 H5 64.0 4_655 4_655 4_655 no O3 H3 H6 74.7 4_655 4_655 4_655 no O3 H3 H6 67.3 4_655 4_655 4_655 no O3 H3 H6 67.4 4_655 4_655 4_655 no O3 H3 H6 74.8 4_655 4_655 4_655 no O4 H3 O4 117.0 . . . no O4 H3 N1 59.1 . . . no O4 H3 C1 120.7 . . . no O4 H3 C2 64.1 . . . no O4 H3 C3 64.9 . . . no O4 H3 C4 58.5 . . . no O4 H3 C5 66.9 . . . no O4 H3 C6 52.1 . . . no O4 H3 C6 153.5 . . . no O4 H3 C7 63.8 . . . no O4 H3 H1 112.7 . . . no O4 H3 H2 73.9 . . . no O4 H3 H4 50.0 . . . no O4 H3 H4 101.3 . . . no O4 H3 H5 63.4 . . . no O4 H3 H5 162.6 . . . no O4 H3 H6 39.8 . . . no O4 H3 H6 45.0 . . . no O4 H3 H6 149.9 . . . no O4 H3 H6 151.2 . . . no O4 H3 N1 59.1 1_565 1_565 1_565 no O4 H3 C1 120.8 1_565 1_565 1_565 no O4 H3 C2 64.1 1_565 1_565 1_565 no O4 H3 C3 64.9 1_565 1_565 1_565 no O4 H3 C4 58.5 1_565 1_565 1_565 no O4 H3 C5 66.8 1_565 1_565 1_565 no O4 H3 C6 153.5 1_565 1_565 1_565 no O4 H3 C6 52.1 1_565 1_565 1_565 no O4 H3 C7 63.8 1_565 1_565 1_565 no O4 H3 H1 112.7 1_565 1_565 1_565 no O4 H3 H2 74.0 1_565 1_565 1_565 no O4 H3 H4 101.3 1_565 1_565 1_565 no O4 H3 H4 50.0 1_565 1_565 1_565 no O4 H3 H5 162.6 1_565 1_565 1_565 no O4 H3 H5 63.5 1_565 1_565 1_565 no O4 H3 H6 151.2 1_565 1_565 1_565 no O4 H3 H6 149.9 1_565 1_565 1_565 no O4 H3 H6 45.0 1_565 1_565 1_565 no O4 H3 H6 39.8 1_565 1_565 1_565 no N1 H3 C1 178.4 . . . no N1 H3 C2 43.8 . . . no N1 H3 C3 46.3 . . . no N1 H3 C4 13.3 . . . no N1 H3 C5 30.7 . . . no N1 H3 C6 109.4 . . . no N1 H3 C6 109.4 . . . no N1 H3 C7 22.0 . . . no N1 H3 H1 148.0 . . . no N1 H3 H2 68.6 . . . no N1 H3 H4 56.1 . . . no N1 H3 H4 56.1 . . . no N1 H3 H5 122.1 . . . no N1 H3 H5 122.1 . . . no N1 H3 H6 98.4 . . . no N1 H3 H6 102.3 . . . no N1 H3 H6 102.3 . . . no N1 H3 H6 98.4 . . . no C1 H3 C2 134.6 1_556 1_556 1_556 no C1 H3 C3 132.1 1_556 1_556 1_556 no C1 H3 C4 165.1 1_556 1_556 1_556 no C1 H3 C5 150.8 1_556 1_556 1_556 no C1 H3 C6 70.0 1_556 1_556 1_556 no C1 H3 C6 70.0 1_556 1_556 1_556 no C1 H3 C7 159.6 1_556 1_556 1_556 no C1 H3 H1 30.5 1_556 1_556 1_556 no C1 H3 H2 109.9 1_556 1_556 1_556 no C1 H3 H4 125.2 1_556 1_556 1_556 no C1 H3 H4 125.2 1_556 1_556 1_556 no C1 H3 H5 57.5 1_556 1_556 1_556 no C1 H3 H5 57.5 1_556 1_556 1_556 no C1 H3 H6 81.3 1_556 1_556 1_556 no C1 H3 H6 77.2 1_556 1_556 1_556 no C1 H3 H6 77.2 1_556 1_556 1_556 no C1 H3 H6 81.3 1_556 1_556 1_556 no C2 H3 C3 2.4 . . . no C2 H3 C4 30.5 . . . no C2 H3 C5 74.6 . . . no C2 H3 C6 90.8 . . . no C2 H3 C6 90.9 . . . no C2 H3 C7 65.8 . . . no C2 H3 H1 104.1 . . . no C2 H3 H2 24.7 . . . no C2 H3 H4 93.5 . . . no C2 H3 H4 93.5 . . . no C2 H3 H5 103.9 . . . no C2 H3 H5 103.9 . . . no C2 H3 H6 87.2 . . . no C2 H3 H6 86.0 . . . no C2 H3 H6 86.0 . . . no C2 H3 H6 87.3 . . . no C3 H3 C4 33.0 . . . no C3 H3 C5 77.0 . . . no C3 H3 C6 89.7 . . . no C3 H3 C6 89.7 . . . no C3 H3 C7 68.3 . . . no C3 H3 H1 101.7 . . . no C3 H3 H2 22.3 . . . no C3 H3 H4 95.6 . . . no C3 H3 H4 95.6 . . . no C3 H3 H5 102.6 . . . no C3 H3 H5 102.6 . . . no C3 H3 H6 86.6 . . . no C3 H3 H6 85.1 . . . no C3 H3 H6 85.1 . . . no C3 H3 H6 86.6 . . . no C4 H3 C5 44.1 . . . no C4 H3 C6 104.4 . . . no C4 H3 C6 104.4 . . . no C4 H3 C7 35.3 . . . no C4 H3 H1 134.7 . . . no C4 H3 H2 55.2 . . . no C4 H3 H4 67.1 . . . no C4 H3 H4 67.1 . . . no C4 H3 H5 118.0 . . . no C4 H3 H5 118.0 . . . no C4 H3 H6 95.2 . . . no C4 H3 H6 97.6 . . . no C4 H3 H6 97.6 . . . no C4 H3 H6 95.2 . . . no C5 H3 C6 116.9 . . . no C5 H3 C6 116.9 . . . no C5 H3 C7 8.8 . . . no C5 H3 H1 178.7 . . . no C5 H3 H2 99.3 . . . no C5 H3 H4 34.8 . . . no C5 H3 H4 34.8 . . . no C5 H3 H5 124.2 . . . no C5 H3 H5 124.2 . . . no C5 H3 H6 103.8 . . . no C5 H3 H6 110.4 . . . no C5 H3 H6 110.3 . . . no C5 H3 H6 103.7 . . . no C6 H3 C6 124.5 4_655 4_655 4_655 no C6 H3 C7 115.5 4_655 4_655 4_655 no C6 H3 H1 62.9 4_655 4_655 4_655 no C6 H3 H2 79.6 4_655 4_655 4_655 no C6 H3 H4 88.1 4_655 4_655 4_655 no C6 H3 H4 147.0 4_655 4_655 4_655 no C6 H3 H5 13.8 4_655 4_655 4_655 no C6 H3 H5 118.9 4_655 4_655 4_655 no C6 H3 H6 13.2 4_655 4_655 4_655 no C6 H3 H6 7.2 4_655 4_655 4_655 no C6 H3 H6 129.8 4_655 4_655 4_655 no C6 H3 H6 137.2 4_655 4_655 4_655 no C6 H3 C7 115.5 4_665 4_665 4_665 no C6 H3 H1 63.0 4_665 4_665 4_665 no C6 H3 H2 79.6 4_665 4_665 4_665 no C6 H3 H4 147.0 4_665 4_665 4_665 no C6 H3 H4 88.1 4_665 4_665 4_665 no C6 H3 H5 118.9 4_665 4_665 4_665 no C6 H3 H5 13.8 4_665 4_665 4_665 no C6 H3 H6 137.2 4_665 4_665 4_665 no C6 H3 H6 129.8 4_665 4_665 4_665 no C6 H3 H6 7.2 4_665 4_665 4_665 no C6 H3 H6 13.2 4_665 4_665 4_665 no C7 H3 H1 169.9 . . . no C7 H3 H2 90.5 . . . no C7 H3 H4 39.9 . . . no C7 H3 H4 39.9 . . . no C7 H3 H5 124.7 . . . no C7 H3 H5 124.7 . . . no C7 H3 H6 102.6 . . . no C7 H3 H6 108.5 . . . no C7 H3 H6 108.5 . . . no C7 H3 H6 102.5 . . . no H1 H3 H2 79.4 1_556 1_556 1_556 no H1 H3 H4 145.8 1_556 1_556 1_556 no H1 H3 H4 145.8 1_556 1_556 1_556 no H1 H3 H5 56.0 1_556 1_556 1_556 no H1 H3 H5 56.0 1_556 1_556 1_556 no H1 H3 H6 76.1 1_556 1_556 1_556 no H1 H3 H6 69.4 1_556 1_556 1_556 no H1 H3 H6 69.4 1_556 1_556 1_556 no H1 H3 H6 76.1 1_556 1_556 1_556 no H2 H3 H4 114.7 . . . no H2 H3 H4 114.7 . . . no H2 H3 H5 90.1 . . . no H2 H3 H5 90.2 . . . no H2 H3 H6 81.2 . . . no H2 H3 H6 77.1 . . . no H2 H3 H6 77.2 . . . no H2 H3 H6 81.3 . . . no H4 H3 H4 59.0 . . . no H4 H3 H5 91.7 . . . no H4 H3 H5 147.0 . . . no H4 H3 H6 75.7 . . . no H4 H3 H6 83.1 . . . no H4 H3 H6 142.0 . . . no H4 H3 H6 134.7 . . . no H4 H3 H5 147.0 7 7 7 no H4 H3 H5 91.7 7 7 7 no H4 H3 H6 134.7 7 7 7 no H4 H3 H6 142.0 7 7 7 no H4 H3 H6 83.1 7 7 7 no H4 H3 H6 75.7 7 7 7 no H5 H3 H5 110.5 4_655 4_655 4_655 no H5 H3 H6 23.8 4_655 4_655 4_655 no H5 H3 H6 20.4 4_655 4_655 4_655 no H5 H3 H6 125.4 4_655 4_655 4_655 no H5 H3 H6 132.1 4_655 4_655 4_655 no H5 H3 H6 132.1 4_665 4_665 4_665 no H5 H3 H6 125.4 4_665 4_665 4_665 no H5 H3 H6 20.4 4_665 4_665 4_665 no H5 H3 H6 23.8 4_665 4_665 4_665 no H6 H3 H6 7.4 6_645 6_645 6_645 no H6 H3 H6 142.0 6_645 6_645 6_645 no H6 H3 H6 149.4 6_645 6_645 6_645 no H6 H3 H6 134.5 4_655 4_655 4_655 no H6 H3 H6 142.0 4_655 4_655 4_655 no H6 H3 H6 7.4 6_655 6_655 6_655 no CL1 H4 O1 72.9 3_647 3_647 3_647 no CL1 H4 O4 75.9 3_647 3_647 3_647 no CL1 H4 N1 147.1 3_647 3_647 3_647 no CL1 H4 N3 91.1 3_647 3_647 3_647 no CL1 H4 C3 132.7 3_647 3_647 3_647 no CL1 H4 C4 149.0 3_647 3_647 3_647 no CL1 H4 C5 142.5 3_647 3_647 3_647 no CL1 H4 C6 56.2 3_647 3_647 3_647 no CL1 H4 C7 133.1 3_647 3_647 3_647 no CL1 H4 C8 106.9 3_647 3_647 3_647 no CL1 H4 C8 137.6 3_647 3_647 3_647 no CL1 H4 C9 97.9 3_647 3_647 3_647 no CL1 H4 C9 42.4 3_647 3_647 3_647 no CL1 H4 C10 25.1 3_647 3_647 3_647 no CL1 H4 H2 121.6 3_647 3_647 3_647 no CL1 H4 H3 107.7 3_647 3_647 3_647 no CL1 H4 H4 138.7 3_647 3_647 3_647 no CL1 H4 H6 51.8 3_647 3_647 3_647 no CL1 H4 H6 61.6 3_647 3_647 3_647 no CL1 H4 H7 96.7 3_647 3_647 3_647 no CL1 H4 H7 149.3 3_647 3_647 3_647 no CL1 H4 H8 85.0 3_647 3_647 3_647 no CL1 H4 H8 49.8 3_647 3_647 3_647 no O1 H4 O4 114.3 1_556 1_556 1_556 no O1 H4 N1 134.2 1_556 1_556 1_556 no O1 H4 N3 119.9 1_556 1_556 1_556 no O1 H4 C3 91.6 1_556 1_556 1_556 no O1 H4 C4 106.2 1_556 1_556 1_556 no O1 H4 C5 70.3 1_556 1_556 1_556 no O1 H4 C6 60.3 1_556 1_556 1_556 no O1 H4 C7 151.5 1_556 1_556 1_556 no O1 H4 C8 170.6 1_556 1_556 1_556 no O1 H4 C8 134.1 1_556 1_556 1_556 no O1 H4 C9 153.6 1_556 1_556 1_556 no O1 H4 C9 86.8 1_556 1_556 1_556 no O1 H4 C10 86.6 1_556 1_556 1_556 no O1 H4 H2 75.3 1_556 1_556 1_556 no O1 H4 H3 39.3 1_556 1_556 1_556 no O1 H4 H4 77.8 1_556 1_556 1_556 no O1 H4 H6 73.2 1_556 1_556 1_556 no O1 H4 H6 61.7 1_556 1_556 1_556 no O1 H4 H7 168.1 1_556 1_556 1_556 no O1 H4 H7 122.4 1_556 1_556 1_556 no O1 H4 H8 74.2 1_556 1_556 1_556 no O1 H4 H8 80.7 1_556 1_556 1_556 no O4 H4 N1 75.0 . . . no O4 H4 N3 15.2 . . . no O4 H4 C3 70.5 . . . no O4 H4 C4 76.6 . . . no O4 H4 C5 113.6 . . . no O4 H4 C6 54.2 . . . no O4 H4 C7 87.3 . . . no O4 H4 C8 74.3 . . . no O4 H4 C8 107.5 . . . no O4 H4 C9 86.1 . . . no O4 H4 C9 105.8 . . . no O4 H4 C10 88.4 . . . no O4 H4 H2 74.6 . . . no O4 H4 H3 106.3 . . . no O4 H4 H4 144.1 . . . no O4 H4 H6 42.4 . . . no O4 H4 H6 52.6 . . . no O4 H4 H7 56.3 . . . no O4 H4 H7 113.9 . . . no O4 H4 H8 154.9 . . . no O4 H4 H8 117.2 . . . no N1 H4 N3 60.5 . . . no N1 H4 C3 47.3 . . . no N1 H4 C4 29.3 . . . no N1 H4 C5 65.5 . . . no N1 H4 C6 115.1 . . . no N1 H4 C7 30.7 . . . no N1 H4 C8 49.9 . . . no N1 H4 C8 42.9 . . . no N1 H4 C9 65.1 . . . no N1 H4 C9 135.8 . . . no N1 H4 C10 139.2 . . . no N1 H4 H2 64.0 . . . no N1 H4 H3 95.1 . . . no N1 H4 H4 73.4 . . . no N1 H4 H6 111.1 . . . no N1 H4 H6 110.1 . . . no N1 H4 H7 53.9 . . . no N1 H4 H7 41.6 . . . no N1 H4 H8 117.1 . . . no N1 H4 H8 137.3 . . . no N3 H4 C3 58.0 . . . no N3 H4 C4 61.9 . . . no N3 H4 C5 101.2 . . . no N3 H4 C6 62.8 . . . no N3 H4 C7 76.7 . . . no N3 H4 C8 69.4 . . . no N3 H4 C8 96.6 . . . no N3 H4 C9 84.2 . . . no N3 H4 C9 119.0 . . . no N3 H4 C10 102.6 . . . no N3 H4 H2 65.1 . . . no N3 H4 H3 101.6 . . . no N3 H4 H4 129.1 . . . no N3 H4 H6 53.3 . . . no N3 H4 H6 59.9 . . . no N3 H4 H7 53.3 . . . no N3 H4 H7 100.8 . . . no N3 H4 H8 163.5 . . . no N3 H4 H8 130.5 . . . no C3 H4 C4 19.5 . . . no C3 H4 C5 43.3 . . . no C3 H4 C6 77.0 . . . no C3 H4 C7 77.8 . . . no C3 H4 C8 95.1 . . . no C3 H4 C8 85.0 . . . no C3 H4 C9 111.8 . . . no C3 H4 C9 175.0 . . . no C3 H4 C10 155.9 . . . no C3 H4 H2 16.8 . . . no C3 H4 H3 54.3 . . . no C3 H4 H4 75.6 . . . no C3 H4 H6 81.1 . . . no C3 H4 H6 71.6 . . . no C3 H4 H7 91.6 . . . no C3 H4 H7 76.5 . . . no C3 H4 H8 134.3 . . . no C3 H4 H8 170.8 . . . no C4 H4 C5 43.8 . . . no C4 H4 C6 95.6 . . . no C4 H4 C7 59.0 . . . no C4 H4 C8 78.9 . . . no C4 H4 C8 65.6 . . . no C4 H4 C9 94.3 . . . no C4 H4 C9 164.6 . . . no C4 H4 C10 163.3 . . . no C4 H4 H2 35.3 . . . no C4 H4 H3 67.0 . . . no C4 H4 H4 67.4 . . . no C4 H4 H6 97.6 . . . no C4 H4 H6 90.1 . . . no C4 H4 H7 79.7 . . . no C4 H4 H7 57.9 . . . no C4 H4 H8 125.2 . . . no C4 H4 H8 161.0 . . . no C5 H4 C6 98.4 . . . no C5 H4 C7 84.4 . . . no C5 H4 C8 110.6 . . . no C5 H4 C8 76.5 . . . no C5 H4 C9 118.4 . . . no C5 H4 C9 139.8 . . . no C5 H4 C10 152.9 . . . no C5 H4 H2 40.9 . . . no C5 H4 H3 35.3 . . . no C5 H4 H4 35.8 . . . no C5 H4 H6 109.5 . . . no C5 H4 H6 94.3 . . . no C5 H4 H7 119.2 . . . no C5 H4 H7 62.8 . . . no C5 H4 H8 91.5 . . . no C5 H4 H8 128.3 . . . no C6 H4 C7 139.3 4_655 4_655 4_655 no C6 H4 C8 127.7 4_655 4_655 4_655 no C6 H4 C8 157.8 4_655 4_655 4_655 no C6 H4 C9 135.0 4_655 4_655 4_655 no C6 H4 C9 98.1 4_655 4_655 4_655 no C6 H4 C10 81.2 4_655 4_655 4_655 no C6 H4 H2 65.5 4_655 4_655 4_655 no C6 H4 H3 68.1 4_655 4_655 4_655 no C6 H4 H4 128.5 4_655 4_655 4_655 no C6 H4 H6 14.1 4_655 4_655 4_655 no C6 H4 H6 5.5 4_655 4_655 4_655 no C6 H4 H7 109.4 4_655 4_655 4_655 no C6 H4 H7 153.5 4_655 4_655 4_655 no C6 H4 H8 126.1 4_655 4_655 4_655 no C6 H4 H8 103.2 4_655 4_655 4_655 no C7 H4 C8 26.4 . . . no C7 H4 C8 20.3 . . . no C7 H4 C9 36.6 . . . no C7 H4 C9 105.7 . . . no C7 H4 C10 113.7 . . . no C7 H4 H2 94.2 . . . no C7 H4 H3 119.1 . . . no C7 H4 H4 74.0 . . . no C7 H4 H6 129.6 . . . no C7 H4 H6 135.5 . . . no C7 H4 H7 40.3 . . . no C7 H4 H7 29.6 . . . no C7 H4 H8 94.3 . . . no C7 H4 H8 106.6 . . . no C8 H4 C8 40.5 . . . no C8 H4 C9 17.7 . . . no C8 H4 C9 87.0 . . . no C8 H4 C10 90.0 . . . no C8 H4 H2 111.7 . . . no C8 H4 H3 144.4 . . . no C8 H4 H4 97.5 . . . no C8 H4 H6 114.3 . . . no C8 H4 H6 126.8 . . . no C8 H4 H7 18.4 . . . no C8 H4 H7 53.3 . . . no C8 H4 H8 96.4 . . . no C8 H4 H8 92.0 . . . no C8 H4 C9 42.1 7 7 7 no C8 H4 C9 99.5 7 7 7 no C8 H4 C10 113.2 7 7 7 no C8 H4 H2 99.2 7 7 7 no C8 H4 H3 111.4 7 7 7 no C8 H4 H4 57.0 7 7 7 no C8 H4 H6 149.8 7 7 7 no C8 H4 H6 153.0 7 7 7 no C8 H4 H7 57.7 7 7 7 no C8 H4 H7 13.8 7 7 7 no C8 H4 H8 76.0 7 7 7 no C8 H4 H8 96.7 7 7 7 no C9 H4 C9 70.9 . . . no C9 H4 C10 77.0 . . . no C9 H4 H2 128.5 . . . no C9 H4 H3 153.5 . . . no C9 H4 H4 95.6 . . . no C9 H4 H6 121.0 . . . no C9 H4 H6 136.1 . . . no C9 H4 H7 30.9 . . . no C9 H4 H7 56.0 . . . no C9 H4 H8 80.5 . . . no C9 H4 H8 74.8 . . . no C9 H4 C10 19.3 5_657 5_657 5_657 no C9 H4 H2 160.1 5_657 5_657 5_657 no C9 H4 H3 125.1 5_657 5_657 5_657 no C9 H4 H4 108.6 5_657 5_657 5_657 no C9 H4 H6 94.0 5_657 5_657 5_657 no C9 H4 H6 103.5 5_657 5_657 5_657 no C9 H4 H7 89.0 5_657 5_657 5_657 no C9 H4 H7 108.3 5_657 5_657 5_657 no C9 H4 H8 49.7 5_657 5_657 5_657 no C9 H4 H8 11.5 5_657 5_657 5_657 no C10 H4 H2 146.7 3_647 3_647 3_647 no C10 H4 H3 125.5 3_647 3_647 3_647 no C10 H4 H4 127.1 3_647 3_647 3_647 no C10 H4 H6 75.4 3_647 3_647 3_647 no C10 H4 H6 86.5 3_647 3_647 3_647 no C10 H4 H7 85.8 3_647 3_647 3_647 no C10 H4 H7 124.2 3_647 3_647 3_647 no C10 H4 H8 68.0 3_647 3_647 3_647 no C10 H4 H8 29.5 3_647 3_647 3_647 no H2 H4 H3 39.9 . . . no H2 H4 H4 76.6 . . . no H2 H4 H6 72.7 . . . no H2 H4 H6 60.3 . . . no H2 H4 H7 106.7 . . . no H2 H4 H7 89.0 . . . no H2 H4 H8 130.1 . . . no H2 H4 H8 156.0 . . . no H3 H4 H4 60.5 . . . no H3 H4 H6 81.5 . . . no H3 H4 H6 65.5 . . . no H3 H4 H7 145.9 . . . no H3 H4 H7 97.6 . . . no H3 H4 H8 94.8 . . . no H3 H4 H8 117.0 . . . no H4 H4 H6 142.0 7 7 7 no H4 H4 H6 125.9 7 7 7 no H4 H4 H7 114.1 7 7 7 no H4 H4 H7 44.6 7 7 7 no H4 H4 H8 59.1 7 7 7 no H4 H4 H8 97.6 7 7 7 no H6 H4 H6 16.0 6_645 6_645 6_645 no H6 H4 H7 96.0 6_645 6_645 6_645 no H6 H4 H7 152.7 6_645 6_645 6_645 no H6 H4 H8 131.8 6_645 6_645 6_645 no H6 H4 H8 101.4 6_645 6_645 6_645 no H6 H4 H7 108.7 4_655 4_655 4_655 no H6 H4 H7 148.0 4_655 4_655 4_655 no H6 H4 H8 130.2 4_655 4_655 4_655 no H6 H4 H8 108.6 4_655 4_655 4_655 no H7 H4 H7 69.5 . . . no H7 H4 H8 111.2 . . . no H7 H4 H8 96.9 . . . no H7 H4 H8 75.6 7 7 7 no H7 H4 H8 103.2 7 7 7 no H8 H4 H8 38.6 3_657 3_657 3_657 no CL1 H5 O1 75.8 2_556 2_556 2_556 no CL1 H5 O1 75.9 2_556 2_556 2_556 no CL1 H5 O2 93.3 2_556 2_556 2_556 no CL1 H5 O3 117.4 2_556 2_556 2_556 no CL1 H5 O3 117.5 2_556 2_556 2_556 no CL1 H5 O3 125.5 2_556 2_556 2_556 no CL1 H5 O4 62.6 2_556 2_556 2_556 no CL1 H5 N2 122.3 2_556 2_556 2_556 no CL1 H5 N2 110.6 2_556 2_556 2_556 no CL1 H5 N2 110.7 2_556 2_556 2_556 no CL1 H5 N3 105.3 2_556 2_556 2_556 no CL1 H5 C1 89.3 2_556 2_556 2_556 no CL1 H5 C1 89.4 2_556 2_556 2_556 no CL1 H5 C2 136.3 2_556 2_556 2_556 no CL1 H5 C3 168.2 2_556 2_556 2_556 no CL1 H5 C4 165.6 2_556 2_556 2_556 no CL1 H5 C6 92.4 2_556 2_556 2_556 no CL1 H5 H1 106.4 2_556 2_556 2_556 no CL1 H5 H1 117.0 2_556 2_556 2_556 no CL1 H5 H1 117.1 2_556 2_556 2_556 no CL1 H5 H2 169.8 2_556 2_556 2_556 no CL1 H5 H3 67.5 2_556 2_556 2_556 no CL1 H5 H3 67.5 2_556 2_556 2_556 no CL1 H5 H6 73.8 2_556 2_556 2_556 no CL1 H5 H6 73.8 2_556 2_556 2_556 no O1 H5 O1 137.9 4_655 4_655 4_655 no O1 H5 O2 75.6 4_655 4_655 4_655 no O1 H5 O3 54.3 4_655 4_655 4_655 no O1 H5 O3 166.1 4_655 4_655 4_655 no O1 H5 O3 85.8 4_655 4_655 4_655 no O1 H5 O4 97.0 4_655 4_655 4_655 no O1 H5 N2 110.7 4_655 4_655 4_655 no O1 H5 N2 36.5 4_655 4_655 4_655 no O1 H5 N2 138.8 4_655 4_655 4_655 no O1 H5 N3 79.0 4_655 4_655 4_655 no O1 H5 C1 19.4 4_655 4_655 4_655 no O1 H5 C1 132.5 4_655 4_655 4_655 no O1 H5 C2 111.0 4_655 4_655 4_655 no O1 H5 C3 107.0 4_655 4_655 4_655 no O1 H5 C4 107.6 4_655 4_655 4_655 no O1 H5 C6 105.9 4_655 4_655 4_655 no O1 H5 H1 108.8 4_655 4_655 4_655 no O1 H5 H1 41.3 4_655 4_655 4_655 no O1 H5 H1 150.2 4_655 4_655 4_655 no O1 H5 H2 101.2 4_655 4_655 4_655 no O1 H5 H3 41.5 4_655 4_655 4_655 no O1 H5 H3 141.7 4_655 4_655 4_655 no O1 H5 H6 77.1 4_655 4_655 4_655 no O1 H5 H6 123.0 4_655 4_655 4_655 no O1 H5 O2 75.6 4_665 4_665 4_665 no O1 H5 O3 166.1 4_665 4_665 4_665 no O1 H5 O3 54.3 4_665 4_665 4_665 no O1 H5 O3 85.8 4_665 4_665 4_665 no O1 H5 O4 97.0 4_665 4_665 4_665 no O1 H5 N2 110.7 4_665 4_665 4_665 no O1 H5 N2 138.8 4_665 4_665 4_665 no O1 H5 N2 36.5 4_665 4_665 4_665 no O1 H5 N3 79.0 4_665 4_665 4_665 no O1 H5 C1 132.5 4_665 4_665 4_665 no O1 H5 C1 19.4 4_665 4_665 4_665 no O1 H5 C2 111.0 4_665 4_665 4_665 no O1 H5 C3 107.0 4_665 4_665 4_665 no O1 H5 C4 107.6 4_665 4_665 4_665 no O1 H5 C6 105.9 4_665 4_665 4_665 no O1 H5 H1 108.8 4_665 4_665 4_665 no O1 H5 H1 150.2 4_665 4_665 4_665 no O1 H5 H1 41.3 4_665 4_665 4_665 no O1 H5 H2 101.2 4_665 4_665 4_665 no O1 H5 H3 141.7 4_665 4_665 4_665 no O1 H5 H3 41.5 4_665 4_665 4_665 no O1 H5 H6 123.0 4_665 4_665 4_665 no O1 H5 H6 77.1 4_665 4_665 4_665 no O2 H5 O3 106.2 4_655 4_655 4_655 no O2 H5 O3 106.2 4_655 4_655 4_655 no O2 H5 O3 32.3 4_655 4_655 4_655 no O2 H5 O4 155.9 4_655 4_655 4_655 no O2 H5 N2 144.5 4_655 4_655 4_655 no O2 H5 N2 63.7 4_655 4_655 4_655 no O2 H5 N2 63.7 4_655 4_655 4_655 no O2 H5 N3 12.0 4_655 4_655 4_655 no O2 H5 C1 60.3 4_655 4_655 4_655 no O2 H5 C1 60.3 4_655 4_655 4_655 no O2 H5 C2 130.4 4_655 4_655 4_655 no O2 H5 C3 98.5 4_655 4_655 4_655 no O2 H5 C4 101.2 4_655 4_655 4_655 no O2 H5 C6 174.4 4_655 4_655 4_655 no O2 H5 H1 160.3 4_655 4_655 4_655 no O2 H5 H1 76.9 4_655 4_655 4_655 no O2 H5 H1 77.0 4_655 4_655 4_655 no O2 H5 H2 76.5 4_655 4_655 4_655 no O2 H5 H3 116.3 4_655 4_655 4_655 no O2 H5 H3 116.3 4_655 4_655 4_655 no O2 H5 H6 151.9 4_655 4_655 4_655 no O2 H5 H6 151.9 4_655 4_655 4_655 no O3 H5 O3 112.8 . . . no O3 H5 O3 88.9 . . . no O3 H5 O4 86.6 . . . no O3 H5 N2 59.7 . . . no O3 H5 N2 43.3 . . . no O3 H5 N2 131.5 . . . no O3 H5 N3 100.0 . . . no O3 H5 C1 55.6 . . . no O3 H5 C1 151.6 . . . no O3 H5 C2 57.0 . . . no O3 H5 C3 59.1 . . . no O3 H5 C4 58.5 . . . no O3 H5 C6 71.0 . . . no O3 H5 H1 64.9 . . . no O3 H5 H1 29.4 . . . no O3 H5 H1 125.1 . . . no O3 H5 H2 66.5 . . . no O3 H5 H3 50.4 . . . no O3 H5 H3 137.0 . . . no O3 H5 H6 61.3 . . . no O3 H5 H6 101.9 . . . no O3 H5 O3 88.9 1_565 1_565 1_565 no O3 H5 O4 86.6 1_565 1_565 1_565 no O3 H5 N2 59.7 1_565 1_565 1_565 no O3 H5 N2 131.5 1_565 1_565 1_565 no O3 H5 N2 43.3 1_565 1_565 1_565 no O3 H5 N3 100.0 1_565 1_565 1_565 no O3 H5 C1 151.6 1_565 1_565 1_565 no O3 H5 C1 55.6 1_565 1_565 1_565 no O3 H5 C2 57.0 1_565 1_565 1_565 no O3 H5 C3 59.1 1_565 1_565 1_565 no O3 H5 C4 58.5 1_565 1_565 1_565 no O3 H5 C6 71.0 1_565 1_565 1_565 no O3 H5 H1 64.9 1_565 1_565 1_565 no O3 H5 H1 125.1 1_565 1_565 1_565 no O3 H5 H1 29.4 1_565 1_565 1_565 no O3 H5 H2 66.4 1_565 1_565 1_565 no O3 H5 H3 137.0 1_565 1_565 1_565 no O3 H5 H3 50.4 1_565 1_565 1_565 no O3 H5 H6 101.9 1_565 1_565 1_565 no O3 H5 H6 61.3 1_565 1_565 1_565 no O3 H5 O4 171.8 4_655 4_655 4_655 no O3 H5 N2 112.2 4_655 4_655 4_655 no O3 H5 N2 56.6 4_655 4_655 4_655 no O3 H5 N2 56.6 4_655 4_655 4_655 no O3 H5 N3 20.2 4_655 4_655 4_655 no O3 H5 C1 66.5 4_655 4_655 4_655 no O3 H5 C1 66.5 4_655 4_655 4_655 no O3 H5 C2 98.1 4_655 4_655 4_655 no O3 H5 C3 66.3 4_655 4_655 4_655 no O3 H5 C4 68.9 4_655 4_655 4_655 no O3 H5 C6 142.1 4_655 4_655 4_655 no O3 H5 H1 128.1 4_655 4_655 4_655 no O3 H5 H1 64.7 4_655 4_655 4_655 no O3 H5 H1 64.7 4_655 4_655 4_655 no O3 H5 H2 44.3 4_655 4_655 4_655 no O3 H5 H3 124.5 4_655 4_655 4_655 no O3 H5 H3 124.5 4_655 4_655 4_655 no O3 H5 H6 150.3 4_655 4_655 4_655 no O3 H5 H6 150.3 4_655 4_655 4_655 no O4 H5 N2 59.6 4_654 4_654 4_654 no O4 H5 N2 122.6 4_654 4_654 4_654 no O4 H5 N2 122.6 4_654 4_654 4_654 no O4 H5 N3 167.9 4_654 4_654 4_654 no O4 H5 C1 115.9 4_654 4_654 4_654 no O4 H5 C1 115.9 4_654 4_654 4_654 no O4 H5 C2 73.7 4_654 4_654 4_654 no O4 H5 C3 105.6 4_654 4_654 4_654 no O4 H5 C4 102.9 4_654 4_654 4_654 no O4 H5 C6 29.8 4_654 4_654 4_654 no O4 H5 H1 43.8 4_654 4_654 4_654 no O4 H5 H1 112.8 4_654 4_654 4_654 no O4 H5 H1 112.8 4_654 4_654 4_654 no O4 H5 H2 127.6 4_654 4_654 4_654 no O4 H5 H3 56.6 4_654 4_654 4_654 no O4 H5 H3 56.6 4_654 4_654 4_654 no O4 H5 H6 26.0 4_654 4_654 4_654 no O4 H5 H6 26.0 4_654 4_654 4_654 no N2 H5 N2 99.8 . . . no N2 H5 N2 99.8 . . . no N2 H5 N3 132.5 . . . no N2 H5 C1 115.3 . . . no N2 H5 C1 115.3 . . . no N2 H5 C2 14.1 . . . no N2 H5 C3 46.0 . . . no N2 H5 C4 43.3 . . . no N2 H5 C6 29.9 . . . no N2 H5 H1 15.9 . . . no N2 H5 H1 85.8 . . . no N2 H5 H1 85.8 . . . no N2 H5 H2 67.9 . . . no N2 H5 H3 81.2 . . . no N2 H5 H3 81.2 . . . no N2 H5 H6 54.2 . . . no N2 H5 H6 54.2 . . . no N2 H5 N2 113.0 4_655 4_655 4_655 no N2 H5 N3 59.8 4_655 4_655 4_655 no N2 H5 C1 21.5 4_655 4_655 4_655 no N2 H5 C1 121.1 4_655 4_655 4_655 no N2 H5 C2 92.2 4_655 4_655 4_655 no N2 H5 C3 75.0 4_655 4_655 4_655 no N2 H5 C4 76.4 4_655 4_655 4_655 no N2 H5 C6 114.2 4_655 4_655 4_655 no N2 H5 H1 107.9 4_655 4_655 4_655 no N2 H5 H1 14.3 4_655 4_655 4_655 no N2 H5 H1 118.6 4_655 4_655 4_655 no N2 H5 H2 65.0 4_655 4_655 4_655 no N2 H5 H3 68.2 4_655 4_655 4_655 no N2 H5 H3 178.1 4_655 4_655 4_655 no N2 H5 H6 97.1 4_655 4_655 4_655 no N2 H5 H6 144.1 4_655 4_655 4_655 no N2 H5 N3 59.8 4_665 4_665 4_665 no N2 H5 C1 121.1 4_665 4_665 4_665 no N2 H5 C1 21.5 4_665 4_665 4_665 no N2 H5 C2 92.2 4_665 4_665 4_665 no N2 H5 C3 75.0 4_665 4_665 4_665 no N2 H5 C4 76.4 4_665 4_665 4_665 no N2 H5 C6 114.2 4_665 4_665 4_665 no N2 H5 H1 107.9 4_665 4_665 4_665 no N2 H5 H1 118.6 4_665 4_665 4_665 no N2 H5 H1 14.3 4_665 4_665 4_665 no N2 H5 H2 65.0 4_665 4_665 4_665 no N2 H5 H3 178.1 4_665 4_665 4_665 no N2 H5 H3 68.2 4_665 4_665 4_665 no N2 H5 H6 144.1 4_665 4_665 4_665 no N2 H5 H6 97.1 4_665 4_665 4_665 no N3 H5 C1 61.5 4_655 4_655 4_655 no N3 H5 C1 61.5 4_655 4_655 4_655 no N3 H5 C2 118.4 4_655 4_655 4_655 no N3 H5 C3 86.5 4_655 4_655 4_655 no N3 H5 C4 89.1 4_655 4_655 4_655 no N3 H5 C6 162.3 4_655 4_655 4_655 no N3 H5 H1 148.3 4_655 4_655 4_655 no N3 H5 H1 71.8 4_655 4_655 4_655 no N3 H5 H1 71.8 4_655 4_655 4_655 no N3 H5 H2 64.5 4_655 4_655 4_655 no N3 H5 H3 120.5 4_655 4_655 4_655 no N3 H5 H3 120.5 4_655 4_655 4_655 no N3 H5 H6 155.6 4_655 4_655 4_655 no N3 H5 H6 155.6 4_655 4_655 4_655 no C1 H5 C1 120.3 4_655 4_655 4_655 no C1 H5 C2 110.6 4_655 4_655 4_655 no C1 H5 C3 96.5 4_655 4_655 4_655 no C1 H5 C4 97.8 4_655 4_655 4_655 no C1 H5 C6 119.8 4_655 4_655 4_655 no C1 H5 H1 118.7 4_655 4_655 4_655 no C1 H5 H1 32.1 4_655 4_655 4_655 no C1 H5 H1 131.2 4_655 4_655 4_655 no C1 H5 H2 85.6 4_655 4_655 4_655 no C1 H5 H3 59.5 4_655 4_655 4_655 no C1 H5 H3 156.7 4_655 4_655 4_655 no C1 H5 H6 94.1 4_655 4_655 4_655 no C1 H5 H6 141.7 4_655 4_655 4_655 no C1 H5 C2 110.6 4_665 4_665 4_665 no C1 H5 C3 96.5 4_665 4_665 4_665 no C1 H5 C4 97.7 4_665 4_665 4_665 no C1 H5 C6 119.8 4_665 4_665 4_665 no C1 H5 H1 118.7 4_665 4_665 4_665 no C1 H5 H1 131.2 4_665 4_665 4_665 no C1 H5 H1 32.1 4_665 4_665 4_665 no C1 H5 H2 85.6 4_665 4_665 4_665 no C1 H5 H3 156.7 4_665 4_665 4_665 no C1 H5 H3 59.5 4_665 4_665 4_665 no C1 H5 H6 141.7 4_665 4_665 4_665 no C1 H5 H6 94.1 4_665 4_665 4_665 no C2 H5 C3 31.9 . . . no C2 H5 C4 29.2 . . . no C2 H5 C6 43.9 . . . no C2 H5 H1 29.9 . . . no C2 H5 H1 79.0 . . . no C2 H5 H1 79.0 . . . no C2 H5 H2 53.9 . . . no C2 H5 H3 89.2 . . . no C2 H5 H3 89.1 . . . no C2 H5 H6 66.6 . . . no C2 H5 H6 66.6 . . . no C3 H5 C4 2.7 . . . no C3 H5 C6 75.8 . . . no C3 H5 H1 61.8 . . . no C3 H5 H1 66.2 . . . no C3 H5 H1 66.1 . . . no C3 H5 H2 22.0 . . . no C3 H5 H3 106.8 . . . no C3 H5 H3 106.7 . . . no C3 H5 H6 95.5 . . . no C3 H5 H6 95.5 . . . no C4 H5 C6 73.2 . . . no C4 H5 H1 59.2 . . . no C4 H5 H1 67.0 . . . no C4 H5 H1 67.0 . . . no C4 H5 H2 24.6 . . . no C4 H5 H3 105.4 . . . no C4 H5 H3 105.4 . . . no C4 H5 H6 93.1 . . . no C4 H5 H6 93.1 . . . no C6 H5 H1 14.0 . . . no C6 H5 H1 100.4 . . . no C6 H5 H1 100.4 . . . no C6 H5 H2 97.8 . . . no C6 H5 H3 66.1 . . . no C6 H5 H3 66.1 . . . no C6 H5 H6 31.2 . . . no C6 H5 H6 31.2 . . . no H1 H5 H1 93.7 . . . no H1 H5 H1 93.6 . . . no H1 H5 H2 83.8 . . . no H1 H5 H3 72.7 . . . no H1 H5 H3 72.7 . . . no H1 H5 H6 41.1 . . . no H1 H5 H6 41.1 . . . no H1 H5 H1 120.4 4_655 4_655 4_655 no H1 H5 H2 61.1 4_655 4_655 4_655 no H1 H5 H3 63.0 4_655 4_655 4_655 no H1 H5 H3 166.3 4_655 4_655 4_655 no H1 H5 H6 86.8 4_655 4_655 4_655 no H1 H5 H6 131.1 4_655 4_655 4_655 no H1 H5 H2 61.1 4_665 4_665 4_665 no H1 H5 H3 166.3 4_665 4_665 4_665 no H1 H5 H3 63.0 4_665 4_665 4_665 no H1 H5 H6 131.1 4_665 4_665 4_665 no H1 H5 H6 86.8 4_665 4_665 4_665 no H2 H5 H3 116.8 . . . no H2 H5 H3 116.8 . . . no H2 H5 H6 115.3 . . . no H2 H5 H6 115.3 . . . no H3 H5 H3 110.5 4_654 4_654 4_654 no H3 H5 H6 35.8 4_654 4_654 4_654 no H3 H5 H6 82.2 4_654 4_654 4_654 no H3 H5 H6 82.2 4_664 4_664 4_664 no H3 H5 H6 35.8 4_664 4_664 4_664 no H6 H5 H6 48.6 . . . no CL1 H6 O1 76.1 2_556 2_556 2_556 no CL1 H6 O2 70.6 2_556 2_556 2_556 no CL1 H6 O3 134.4 2_556 2_556 2_556 no CL1 H6 O3 118.5 2_556 2_556 2_556 no CL1 H6 O4 81.4 2_556 2_556 2_556 no CL1 H6 N2 152.7 2_556 2_556 2_556 no CL1 H6 N3 98.6 2_556 2_556 2_556 no CL1 H6 C1 158.2 2_556 2_556 2_556 no CL1 H6 C2 138.6 2_556 2_556 2_556 no CL1 H6 C3 130.3 2_556 2_556 2_556 no CL1 H6 C3 118.3 2_556 2_556 2_556 no CL1 H6 C4 96.1 2_556 2_556 2_556 no CL1 H6 C5 78.0 2_556 2_556 2_556 no CL1 H6 C6 94.7 2_556 2_556 2_556 no CL1 H6 H1 142.1 2_556 2_556 2_556 no CL1 H6 H1 111.3 2_556 2_556 2_556 no CL1 H6 H2 115.7 2_556 2_556 2_556 no CL1 H6 H2 127.5 2_556 2_556 2_556 no CL1 H6 H3 84.4 2_556 2_556 2_556 no CL1 H6 H3 66.3 2_556 2_556 2_556 no CL1 H6 H4 62.9 2_556 2_556 2_556 no CL1 H6 H4 52.7 2_556 2_556 2_556 no CL1 H6 H5 76.8 2_556 2_556 2_556 no CL1 H6 H6 77.9 2_556 2_556 2_556 no O1 H6 O2 59.9 4_655 4_655 4_655 no O1 H6 O3 58.5 4_655 4_655 4_655 no O1 H6 O3 143.7 4_655 4_655 4_655 no O1 H6 O4 132.3 4_655 4_655 4_655 no O1 H6 N2 127.9 4_655 4_655 4_655 no O1 H6 N3 138.3 4_655 4_655 4_655 no O1 H6 C1 122.2 4_655 4_655 4_655 no O1 H6 C2 110.0 4_655 4_655 4_655 no O1 H6 C3 94.0 4_655 4_655 4_655 no O1 H6 C3 87.6 4_655 4_655 4_655 no O1 H6 C4 82.0 4_655 4_655 4_655 no O1 H6 C5 62.2 4_655 4_655 4_655 no O1 H6 C6 103.7 4_655 4_655 4_655 no O1 H6 H1 141.2 4_655 4_655 4_655 no O1 H6 H1 39.1 4_655 4_655 4_655 no O1 H6 H2 82.7 4_655 4_655 4_655 no O1 H6 H2 79.9 4_655 4_655 4_655 no O1 H6 H3 48.6 4_655 4_655 4_655 no O1 H6 H3 135.7 4_655 4_655 4_655 no O1 H6 H4 68.6 4_655 4_655 4_655 no O1 H6 H4 128.7 4_655 4_655 4_655 no O1 H6 H5 75.5 4_655 4_655 4_655 no O1 H6 H6 137.1 4_655 4_655 4_655 no O2 H6 O3 87.9 4_655 4_655 4_655 no O2 H6 O3 154.0 4_655 4_655 4_655 no O2 H6 O4 145.6 4_655 4_655 4_655 no O2 H6 N2 107.9 4_655 4_655 4_655 no O2 H6 N3 157.5 4_655 4_655 4_655 no O2 H6 C1 106.6 4_655 4_655 4_655 no O2 H6 C2 77.6 4_655 4_655 4_655 no O2 H6 C3 62.8 4_655 4_655 4_655 no O2 H6 C3 144.3 4_655 4_655 4_655 no O2 H6 C4 141.4 4_655 4_655 4_655 no O2 H6 C5 118.7 4_655 4_655 4_655 no O2 H6 C6 46.5 4_655 4_655 4_655 no O2 H6 H1 127.2 4_655 4_655 4_655 no O2 H6 H1 60.1 4_655 4_655 4_655 no O2 H6 H2 46.6 4_655 4_655 4_655 no O2 H6 H2 131.4 4_655 4_655 4_655 no O2 H6 H3 107.9 4_655 4_655 4_655 no O2 H6 H3 85.4 4_655 4_655 4_655 no O2 H6 H4 116.5 4_655 4_655 4_655 no O2 H6 H4 96.6 4_655 4_655 4_655 no O2 H6 H5 16.1 4_655 4_655 4_655 no O2 H6 H6 79.5 4_655 4_655 4_655 no O3 H6 O3 98.5 . . . no O3 H6 O4 126.4 . . . no O3 H6 N2 71.4 . . . no O3 H6 N3 112.6 . . . no O3 H6 C1 65.6 . . . no O3 H6 C2 67.9 . . . no O3 H6 C3 61.4 . . . no O3 H6 C3 60.7 . . . no O3 H6 C4 76.0 . . . no O3 H6 C5 78.3 . . . no O3 H6 C6 98.6 . . . no O3 H6 H1 82.9 . . . no O3 H6 H1 29.0 . . . no O3 H6 H2 64.5 . . . no O3 H6 H2 45.8 . . . no O3 H6 H3 64.2 . . . no O3 H6 H3 153.6 . . . no O3 H6 H4 95.2 . . . no O3 H6 H4 172.8 . . . no O3 H6 H5 93.6 . . . no O3 H6 H6 138.5 . . . no O3 H6 O4 37.7 4_654 4_654 4_654 no O3 H6 N2 52.1 4_654 4_654 4_654 no O3 H6 N3 20.8 4_654 4_654 4_654 no O3 H6 C1 55.2 4_654 4_654 4_654 no O3 H6 C2 81.6 4_654 4_654 4_654 no O3 H6 C3 98.3 4_654 4_654 4_654 no O3 H6 C3 56.1 4_654 4_654 4_654 no O3 H6 C4 64.2 4_654 4_654 4_654 no O3 H6 C5 87.2 4_654 4_654 4_654 no O3 H6 C6 107.6 4_654 4_654 4_654 no O3 H6 H1 31.0 4_654 4_654 4_654 no O3 H6 H1 127.1 4_654 4_654 4_654 no O3 H6 H2 114.2 4_654 4_654 4_654 no O3 H6 H2 64.8 4_654 4_654 4_654 no O3 H6 H3 97.5 4_654 4_654 4_654 no O3 H6 H3 77.7 4_654 4_654 4_654 no O3 H6 H4 88.1 4_654 4_654 4_654 no O3 H6 H4 75.0 4_654 4_654 4_654 no O3 H6 H5 138.0 4_654 4_654 4_654 no O3 H6 H6 79.1 4_654 4_654 4_654 no O4 H6 N2 88.0 4_654 4_654 4_654 no O4 H6 N3 17.2 4_654 4_654 4_654 no O4 H6 C1 92.0 4_654 4_654 4_654 no O4 H6 C2 114.7 4_654 4_654 4_654 no O4 H6 C3 131.8 4_654 4_654 4_654 no O4 H6 C3 67.2 4_654 4_654 4_654 no O4 H6 C4 59.1 4_654 4_654 4_654 no O4 H6 C5 72.3 4_654 4_654 4_654 no O4 H6 C6 119.7 4_654 4_654 4_654 no O4 H6 H1 67.2 4_654 4_654 4_654 no O4 H6 H1 152.8 4_654 4_654 4_654 no O4 H6 H2 144.9 4_654 4_654 4_654 no O4 H6 H2 81.6 4_654 4_654 4_654 no O4 H6 H3 88.1 4_654 4_654 4_654 no O4 H6 H3 64.8 4_654 4_654 4_654 no O4 H6 H4 63.8 4_654 4_654 4_654 no O4 H6 H4 49.6 4_654 4_654 4_654 no O4 H6 H5 138.4 4_654 4_654 4_654 no O4 H6 H6 75.4 4_654 4_654 4_654 no N2 H6 N3 72.5 . . . no N2 H6 C1 5.8 . . . no N2 H6 C2 30.3 . . . no N2 H6 C3 46.4 . . . no N2 H6 C3 79.5 . . . no N2 H6 C4 99.9 . . . no N2 H6 C5 122.5 . . . no N2 H6 C6 68.9 . . . no N2 H6 H1 21.2 . . . no N2 H6 H1 89.3 . . . no N2 H6 H2 62.5 . . . no N2 H6 H2 74.9 . . . no N2 H6 H3 120.5 . . . no N2 H6 H3 86.5 . . . no N2 H6 H4 133.1 . . . no N2 H6 H4 101.8 . . . no N2 H6 H5 95.5 . . . no N2 H6 H6 75.2 . . . no N3 H6 C1 75.9 4_654 4_654 4_654 no N3 H6 C2 101.1 4_654 4_654 4_654 no N3 H6 C3 118.2 4_654 4_654 4_654 no N3 H6 C3 58.1 4_654 4_654 4_654 no N3 H6 C4 57.1 4_654 4_654 4_654 no N3 H6 C5 76.2 4_654 4_654 4_654 no N3 H6 C6 118.0 4_654 4_654 4_654 no N3 H6 H1 51.3 4_654 4_654 4_654 no N3 H6 H1 141.4 4_654 4_654 4_654 no N3 H6 H2 133.4 4_654 4_654 4_654 no N3 H6 H2 70.9 4_654 4_654 4_654 no N3 H6 H3 90.0 4_654 4_654 4_654 no N3 H6 H3 72.1 4_654 4_654 4_654 no N3 H6 H4 72.3 4_654 4_654 4_654 no N3 H6 H4 62.1 4_654 4_654 4_654 no N3 H6 H5 144.6 4_654 4_654 4_654 no N3 H6 H6 78.9 4_654 4_654 4_654 no C1 H6 C2 29.3 . . . no C1 H6 C3 44.1 . . . no C1 H6 C3 77.2 . . . no C1 H6 C4 98.3 . . . no C1 H6 C5 119.9 . . . no C1 H6 C6 70.5 . . . no C1 H6 H1 24.8 . . . no C1 H6 H1 83.9 . . . no C1 H6 H2 60.4 . . . no C1 H6 H2 71.3 . . . no C1 H6 H3 116.4 . . . no C1 H6 H3 92.0 . . . no C1 H6 H4 132.1 . . . no C1 H6 H4 107.6 . . . no C1 H6 H5 95.4 . . . no C1 H6 H6 80.3 . . . no C2 H6 C3 17.2 . . . no C2 H6 C3 103.0 . . . no C2 H6 C4 125.2 . . . no C2 H6 C5 142.1 . . . no C2 H6 C6 43.9 . . . no C2 H6 H1 50.8 . . . no C2 H6 H1 72.4 . . . no C2 H6 H2 32.6 . . . no C2 H6 H2 93.4 . . . no C2 H6 H3 131.4 . . . no C2 H6 H3 85.8 . . . no C2 H6 H4 158.4 . . . no C2 H6 H4 107.5 . . . no C2 H6 H5 66.1 . . . no C2 H6 H6 70.8 . . . no C3 H6 C3 109.6 . . . no C3 H6 C4 131.2 . . . no C3 H6 C5 139.7 . . . no C3 H6 C6 39.7 . . . no C3 H6 H1 67.4 . . . no C3 H6 H1 58.4 . . . no C3 H6 H2 16.3 . . . no C3 H6 H2 97.1 . . . no C3 H6 H3 124.9 . . . no C3 H6 H3 93.0 . . . no C3 H6 H4 156.3 . . . no C3 H6 H4 115.8 . . . no C3 H6 H5 53.7 . . . no C3 H6 H6 77.8 . . . no C3 H6 C4 22.2 4_654 4_654 4_654 no C3 H6 C5 43.0 4_654 4_654 4_654 no C3 H6 C6 146.9 4_654 4_654 4_654 no C3 H6 H1 69.1 4_654 4_654 4_654 no C3 H6 H1 85.7 4_654 4_654 4_654 no C3 H6 H2 120.5 4_654 4_654 4_654 no C3 H6 H2 15.0 4_654 4_654 4_654 no C3 H6 H3 45.1 4_654 4_654 4_654 no C3 H6 H3 130.3 4_654 4_654 4_654 no C3 H6 H4 55.8 4_654 4_654 4_654 no C3 H6 H4 116.4 4_654 4_654 4_654 no C3 H6 H5 154.2 4_654 4_654 4_654 no C3 H6 H6 135.1 4_654 4_654 4_654 no C4 H6 C5 24.2 4_654 4_654 4_654 no C4 H6 C6 168.8 4_654 4_654 4_654 no C4 H6 H1 85.8 4_654 4_654 4_654 no C4 H6 H1 94.8 4_654 4_654 4_654 no C4 H6 H2 139.9 4_654 4_654 4_654 no C4 H6 H2 34.3 4_654 4_654 4_654 no C4 H6 H3 33.6 4_654 4_654 4_654 no C4 H6 H3 123.2 4_654 4_654 4_654 no C4 H6 H4 33.9 4_654 4_654 4_654 no C4 H6 H4 103.4 4_654 4_654 4_654 no C4 H6 H5 157.4 4_654 4_654 4_654 no C4 H6 H6 134.4 4_654 4_654 4_654 no C5 H6 C6 165.2 4_654 4_654 4_654 no C5 H6 H1 110.0 4_654 4_654 4_654 no C5 H6 H1 86.4 4_654 4_654 4_654 no C5 H6 H2 138.7 4_654 4_654 4_654 no C5 H6 H2 49.5 4_654 4_654 4_654 no C5 H6 H3 16.4 4_654 4_654 4_654 no C5 H6 H3 127.0 4_654 4_654 4_654 no C5 H6 H4 17.3 4_654 4_654 4_654 no C5 H6 H4 104.2 4_654 4_654 4_654 no C5 H6 H5 134.7 4_654 4_654 4_654 no C5 H6 H6 142.0 4_654 4_654 4_654 no C6 H6 H1 83.7 . . . no C6 H6 H1 84.2 . . . no C6 H6 H2 34.3 . . . no C6 H6 H2 136.4 . . . no C6 H6 H3 151.7 . . . no C6 H6 H3 59.1 . . . no C6 H6 H4 157.3 . . . no C6 H6 H4 80.7 . . . no C6 H6 H5 30.6 . . . no C6 H6 H6 45.6 . . . no H1 H6 H1 106.3 . . . no H1 H6 H2 83.4 . . . no H1 H6 H2 69.7 . . . no H1 H6 H3 114.0 . . . no H1 H6 H3 81.0 . . . no H1 H6 H4 116.1 . . . no H1 H6 H4 89.9 . . . no H1 H6 H5 113.1 . . . no H1 H6 H6 74.2 . . . no H1 H6 H2 52.4 4_655 4_655 4_655 no H1 H6 H2 71.6 4_655 4_655 4_655 no H1 H6 H3 70.0 4_655 4_655 4_655 no H1 H6 H3 142.0 4_655 4_655 4_655 no H1 H6 H4 99.6 4_655 4_655 4_655 no H1 H6 H4 156.5 4_655 4_655 4_655 no H1 H6 H5 68.8 4_655 4_655 4_655 no H1 H6 H6 129.8 4_655 4_655 4_655 no H2 H6 H2 106.4 . . . no H2 H6 H3 122.4 . . . no H2 H6 H3 93.0 . . . no H2 H6 H4 150.9 . . . no H2 H6 H4 115.0 . . . no H2 H6 H5 39.1 . . . no H2 H6 H6 78.7 . . . no H2 H6 H3 45.9 4_654 4_654 4_654 no H2 H6 H3 142.1 4_654 4_654 4_654 no H2 H6 H4 65.0 4_654 4_654 4_654 no H2 H6 H4 131.1 4_654 4_654 4_654 no H2 H6 H5 139.3 4_654 4_654 4_654 no H2 H6 H6 142.5 4_654 4_654 4_654 no H3 H6 H3 142.0 4_654 4_654 4_654 no H3 H6 H4 31.4 4_654 4_654 4_654 no H3 H6 H4 119.3 4_654 4_654 4_654 no H3 H6 H5 123.8 4_654 4_654 4_654 no H3 H6 H6 157.3 4_654 4_654 4_654 no H3 H6 H4 110.6 4_664 4_664 4_664 no H3 H6 H4 22.8 4_664 4_664 4_664 no H3 H6 H5 74.0 4_664 4_664 4_664 no H3 H6 H6 15.3 4_664 4_664 4_664 no H4 H6 H4 87.9 4_654 4_654 4_654 no H4 H6 H5 130.7 4_654 4_654 4_654 no H4 H6 H6 125.9 4_654 4_654 4_654 no H4 H6 H5 89.4 6_654 6_654 6_654 no H4 H6 H6 38.1 6_654 6_654 6_654 no H5 H6 H6 65.7 . . . no CL1 H7 O1 67.7 3_646 3_646 3_646 no CL1 H7 O2 71.6 3_646 3_646 3_646 no CL1 H7 O4 112.9 3_646 3_646 3_646 no CL1 H7 N1 109.2 3_646 3_646 3_646 no CL1 H7 N3 93.9 3_646 3_646 3_646 no CL1 H7 C1 85.8 3_646 3_646 3_646 no CL1 H7 C4 128.5 3_646 3_646 3_646 no CL1 H7 C5 152.7 3_646 3_646 3_646 no CL1 H7 C7 108.0 3_646 3_646 3_646 no CL1 H7 C8 99.6 3_646 3_646 3_646 no CL1 H7 C8 106.0 3_646 3_646 3_646 no CL1 H7 C8 70.3 3_646 3_646 3_646 no CL1 H7 C9 88.3 3_646 3_646 3_646 no CL1 H7 C9 100.3 3_646 3_646 3_646 no CL1 H7 C9 69.3 3_646 3_646 3_646 no CL1 H7 C10 93.3 3_646 3_646 3_646 no CL1 H7 H4 165.3 3_646 3_646 3_646 no CL1 H7 H4 150.2 3_646 3_646 3_646 no CL1 H7 H7 108.1 3_646 3_646 3_646 no CL1 H7 H7 71.9 3_646 3_646 3_646 no CL1 H7 H8 81.5 3_646 3_646 3_646 no CL1 H7 H8 70.9 3_646 3_646 3_646 no O1 H7 O2 68.2 . . . no O1 H7 O4 98.8 . . . no O1 H7 N1 41.7 . . . no O1 H7 N3 79.5 . . . no O1 H7 C1 20.6 . . . no O1 H7 C4 63.3 . . . no O1 H7 C5 85.5 . . . no O1 H7 C7 51.1 . . . no O1 H7 C8 73.0 . . . no O1 H7 C8 59.6 . . . no O1 H7 C8 129.1 . . . no O1 H7 C9 100.3 . . . no O1 H7 C9 74.7 . . . no O1 H7 C9 136.5 . . . no O1 H7 C10 90.0 . . . no O1 H7 H4 98.9 . . . no O1 H7 H4 83.7 . . . no O1 H7 H7 54.9 . . . no O1 H7 H7 125.1 . . . no O1 H7 H8 117.5 . . . no O1 H7 H8 137.7 . . . no O2 H7 O4 44.5 . . . no O2 H7 N1 77.8 . . . no O2 H7 N3 22.6 . . . no O2 H7 C1 63.4 . . . no O2 H7 C4 76.8 . . . no O2 H7 C5 94.5 . . . no O2 H7 C7 109.7 . . . no O2 H7 C8 140.8 . . . no O2 H7 C8 122.9 . . . no O2 H7 C8 72.3 . . . no O2 H7 C9 159.4 . . . no O2 H7 C9 142.4 . . . no O2 H7 C9 92.9 . . . no O2 H7 C10 156.8 . . . no O2 H7 H4 98.3 . . . no O2 H7 H4 106.3 . . . no O2 H7 H7 115.2 . . . no O2 H7 H7 64.8 . . . no O2 H7 H8 147.8 . . . no O2 H7 H8 106.3 . . . no O4 H7 N1 79.5 . . . no O4 H7 N3 23.0 . . . no O4 H7 C1 82.7 . . . no O4 H7 C4 62.3 . . . no O4 H7 C5 64.9 . . . no O4 H7 C7 110.5 . . . no O4 H7 C8 140.7 . . . no O4 H7 C8 122.7 . . . no O4 H7 C8 72.6 . . . no O4 H7 C9 155.6 . . . no O4 H7 C9 140.9 . . . no O4 H7 C9 92.3 . . . no O4 H7 C10 153.7 . . . no O4 H7 H4 61.7 . . . no O4 H7 H4 78.6 . . . no O4 H7 H7 115.0 . . . no O4 H7 H7 65.0 . . . no O4 H7 H8 143.6 . . . no O4 H7 H8 104.8 . . . no N1 H7 N3 72.7 . . . no N1 H7 C1 24.2 . . . no N1 H7 C4 23.0 . . . no N1 H7 C5 43.7 . . . no N1 H7 C7 34.1 . . . no N1 H7 C8 69.1 . . . no N1 H7 C8 48.1 . . . no N1 H7 C8 148.7 . . . no N1 H7 C9 105.5 . . . no N1 H7 C9 70.3 . . . no N1 H7 C9 170.4 . . . no N1 H7 C10 91.3 . . . no N1 H7 H4 57.2 . . . no N1 H7 H4 43.7 . . . no N1 H7 H7 39.6 . . . no N1 H7 H7 140.4 . . . no N1 H7 H8 129.0 . . . no N1 H7 H8 175.4 . . . no N3 H7 C1 67.3 . . . no N3 H7 C4 63.3 . . . no N3 H7 C5 75.6 . . . no N3 H7 C7 106.7 . . . no N3 H7 C8 141.7 . . . no N3 H7 C8 120.7 . . . no N3 H7 C8 76.1 . . . no N3 H7 C9 177.4 . . . no N3 H7 C9 142.9 . . . no N3 H7 C9 97.8 . . . no N3 H7 C10 163.9 . . . no N3 H7 H4 77.1 . . . no N3 H7 H4 88.8 . . . no N3 H7 H7 112.3 . . . no N3 H7 H7 67.7 . . . no N3 H7 H8 158.1 . . . no N3 H7 H8 111.9 . . . no C1 H7 C4 43.4 . . . no C1 H7 C5 66.9 . . . no C1 H7 C7 47.1 . . . no C1 H7 C8 78.1 . . . no C1 H7 C8 59.6 . . . no C1 H7 C8 134.5 . . . no C1 H7 C9 111.8 . . . no C1 H7 C9 79.7 . . . no C1 H7 C9 150.4 . . . no C1 H7 C10 98.9 . . . no C1 H7 H4 80.0 . . . no C1 H7 H4 67.9 . . . no C1 H7 H7 52.3 . . . no C1 H7 H7 127.7 . . . no C1 H7 H8 133.0 . . . no C1 H7 H8 156.7 . . . no C4 H7 C5 24.5 . . . no C4 H7 C7 48.2 . . . no C4 H7 C8 80.5 . . . no C4 H7 C8 60.6 . . . no C4 H7 C8 134.9 . . . no C4 H7 C9 114.3 . . . no C4 H7 C9 81.2 . . . no C4 H7 C9 152.4 . . . no C4 H7 C10 101.1 . . . no C4 H7 H4 36.9 . . . no C4 H7 H4 31.1 . . . no C4 H7 H7 52.7 . . . no C4 H7 H7 127.3 . . . no C4 H7 H8 135.2 . . . no C4 H7 H8 158.9 . . . no C5 H7 C7 53.7 . . . no C5 H7 C8 76.1 . . . no C5 H7 C8 61.3 . . . no C5 H7 C8 128.9 . . . no C5 H7 C9 101.8 . . . no C5 H7 C9 76.1 . . . no C5 H7 C9 136.4 . . . no C5 H7 C10 91.5 . . . no C5 H7 H4 13.5 . . . no C5 H7 H4 13.8 . . . no C5 H7 H7 55.9 . . . no C5 H7 H7 124.1 . . . no C5 H7 H8 117.1 . . . no C5 H7 H8 136.4 . . . no C7 H7 C8 35.0 . . . no C7 H7 C8 14.0 . . . no C7 H7 C8 176.9 . . . no C7 H7 C9 71.4 . . . no C7 H7 C9 36.2 . . . no C7 H7 C9 155.4 . . . no C7 H7 C10 57.3 . . . no C7 H7 H4 64.6 . . . no C7 H7 H4 43.5 . . . no C7 H7 H7 5.6 . . . no C7 H7 H7 174.4 . . . no C7 H7 H8 95.0 . . . no C7 H7 H8 141.4 . . . no C8 H7 C8 21.0 . . . no C8 H7 C8 142.2 . . . no C8 H7 C9 36.4 . . . no C8 H7 C9 1.7 . . . no C8 H7 C9 120.4 . . . no C8 H7 C10 22.3 . . . no C8 H7 H4 81.3 . . . no C8 H7 H4 62.5 . . . no C8 H7 H7 29.5 . . . no C8 H7 H7 150.5 . . . no C8 H7 H8 60.0 . . . no C8 H7 H8 106.4 . . . no C8 H7 C8 163.2 7 7 7 no C8 H7 C9 57.4 7 7 7 no C8 H7 C9 22.2 7 7 7 no C8 H7 C9 141.4 7 7 7 no C8 H7 C10 43.2 7 7 7 no C8 H7 H4 69.9 7 7 7 no C8 H7 H4 49.0 7 7 7 no C8 H7 H7 8.5 7 7 7 no C8 H7 H7 171.5 7 7 7 no C8 H7 H8 80.9 7 7 7 no C8 H7 H8 127.3 7 7 7 no C8 H7 C9 105.8 7_545 7_545 7_545 no C8 H7 C9 141.0 7_545 7_545 7_545 no C8 H7 C9 21.8 7_545 7_545 7_545 no C8 H7 C10 120.0 7_545 7_545 7_545 no C8 H7 H4 117.7 7_545 7_545 7_545 no C8 H7 H4 138.6 7_545 7_545 7_545 no C8 H7 H7 171.7 7_545 7_545 7_545 no C8 H7 H7 8.3 7_545 7_545 7_545 no C8 H7 H8 82.3 7_545 7_545 7_545 no C8 H7 H8 35.9 7_545 7_545 7_545 no C9 H7 C9 35.2 . . . no C9 H7 C9 84.0 . . . no C9 H7 C10 14.1 . . . no C9 H7 H4 100.4 . . . no C9 H7 H4 88.7 . . . no C9 H7 H7 65.9 . . . no C9 H7 H7 114.1 . . . no C9 H7 H8 23.6 . . . no C9 H7 H8 70.0 . . . no C9 H7 C9 119.2 7 7 7 no C9 H7 C10 21.1 7 7 7 no C9 H7 H4 81.0 7 7 7 no C9 H7 H4 62.5 7 7 7 no C9 H7 H7 30.7 7 7 7 no C9 H7 H7 149.3 7 7 7 no C9 H7 H8 58.8 7 7 7 no C9 H7 H8 105.1 7 7 7 no C9 H7 C10 98.2 7_545 7_545 7_545 no C9 H7 H4 123.0 7_545 7_545 7_545 no C9 H7 H4 139.7 7_545 7_545 7_545 no C9 H7 H7 149.9 7_545 7_545 7_545 no C9 H7 H7 30.1 7_545 7_545 7_545 no C9 H7 H8 60.5 7_545 7_545 7_545 no C9 H7 H8 14.1 7_545 7_545 7_545 no C10 H7 H4 92.6 . . . no C10 H7 H4 77.9 . . . no C10 H7 H7 51.7 . . . no C10 H7 H7 128.3 . . . no C10 H7 H8 37.7 . . . no C10 H7 H8 84.1 . . . no H4 H7 H4 21.2 . . . no H4 H7 H7 65.9 . . . no H4 H7 H7 114.1 . . . no H4 H7 H8 111.1 . . . no H4 H7 H8 123.2 . . . no H4 H7 H7 44.6 7 7 7 no H4 H7 H7 135.4 7 7 7 no H4 H7 H8 105.8 7 7 7 no H4 H7 H8 134.9 7 7 7 no H7 H7 H7 180.0 7 7 7 no H7 H7 H8 89.4 7 7 7 no H7 H7 H8 135.8 7 7 7 no H7 H7 H8 90.6 7_545 7_545 7_545 no H7 H7 H8 44.2 7_545 7_545 7_545 no H8 H7 H8 46.4 . . . no CL1 H8 C5 70.0 . . . no CL1 H8 C7 96.6 . . . no CL1 H8 C8 111.1 . . . no CL1 H8 C8 75.3 . . . no CL1 H8 C8 165.4 . . . no CL1 H8 C9 74.6 . . . no CL1 H8 C9 53.1 . . . no CL1 H8 C9 143.8 . . . no CL1 H8 C9 81.9 . . . no CL1 H8 C10 39.1 . . . no CL1 H8 C10 101.4 . . . no CL1 H8 H4 83.6 . . . no CL1 H8 H4 62.7 . . . no CL1 H8 H7 135.0 . . . no CL1 H8 H7 178.2 . . . no CL1 H8 H8 44.5 . . . no CL1 H8 H8 135.5 . . . no CL1 H8 H8 78.2 . . . no C5 H8 C7 146.9 3_647 3_647 3_647 no C5 H8 C8 151.6 3_647 3_647 3_647 no C5 H8 C8 133.2 3_647 3_647 3_647 no C5 H8 C8 98.7 3_647 3_647 3_647 no C5 H8 C9 134.0 3_647 3_647 3_647 no C5 H8 C9 115.4 3_647 3_647 3_647 no C5 H8 C9 79.9 3_647 3_647 3_647 no C5 H8 C9 109.4 3_647 3_647 3_647 no C5 H8 C10 103.8 3_647 3_647 3_647 no C5 H8 C10 111.6 3_647 3_647 3_647 no C5 H8 H4 13.7 3_647 3_647 3_647 no C5 H8 H4 10.7 3_647 3_647 3_647 no C5 H8 H7 144.7 3_647 3_647 3_647 no C5 H8 H7 110.7 3_647 3_647 3_647 no C5 H8 H8 107.7 3_647 3_647 3_647 no C5 H8 H8 72.3 3_647 3_647 3_647 no C5 H8 H8 119.9 3_647 3_647 3_647 no C7 H8 C8 14.5 . . . no C7 H8 C8 21.3 . . . no C7 H8 C8 97.8 . . . no C7 H8 C9 22.0 . . . no C7 H8 C9 43.5 . . . no C7 H8 C9 119.5 . . . no C7 H8 C9 97.9 . . . no C7 H8 C10 57.5 . . . no C7 H8 C10 100.5 . . . no C7 H8 H4 151.3 . . . no C7 H8 H4 137.0 . . . no C7 H8 H7 38.4 . . . no C7 H8 H7 83.6 . . . no C7 H8 H8 52.2 . . . no C7 H8 H8 127.8 . . . no C7 H8 H8 84.5 . . . no C8 H8 C8 35.8 . . . no C8 H8 C8 83.3 . . . no C8 H8 C9 36.4 . . . no C8 H8 C9 58.0 . . . no C8 H8 C9 105.0 . . . no C8 H8 C9 98.7 . . . no C8 H8 C10 72.0 . . . no C8 H8 C10 96.3 . . . no C8 H8 H4 149.2 . . . no C8 H8 H4 144.0 . . . no C8 H8 H7 24.0 . . . no C8 H8 H7 69.2 . . . no C8 H8 H8 66.6 . . . no C8 H8 H8 113.4 . . . no C8 H8 H8 87.1 . . . no C8 H8 C8 119.1 7 7 7 no C8 H8 C9 2.0 7 7 7 no C8 H8 C9 22.2 7 7 7 no C8 H8 C9 140.8 7 7 7 no C8 H8 C9 95.4 7 7 7 no C8 H8 C10 36.2 7 7 7 no C8 H8 C10 105.2 7 7 7 no C8 H8 H4 143.8 7 7 7 no C8 H8 H4 122.5 7 7 7 no C8 H8 H7 59.7 7 7 7 no C8 H8 H7 104.9 7 7 7 no C8 H8 H8 30.9 7 7 7 no C8 H8 H8 149.1 7 7 7 no C8 H8 H8 81.0 7 7 7 no C8 H8 C9 119.7 7_545 7_545 7_545 no C8 H8 C9 141.4 7_545 7_545 7_545 no C8 H8 C9 21.7 7_545 7_545 7_545 no C8 H8 C9 93.8 7_545 7_545 7_545 no C8 H8 C10 155.3 7_545 7_545 7_545 no C8 H8 C10 73.6 7_545 7_545 7_545 no C8 H8 H4 84.9 7_545 7_545 7_545 no C8 H8 H4 107.3 7_545 7_545 7_545 no C8 H8 H7 59.4 7_545 7_545 7_545 no C8 H8 H7 14.2 7_545 7_545 7_545 no C8 H8 H8 150.0 7_545 7_545 7_545 no C8 H8 H8 30.0 7_545 7_545 7_545 no C8 H8 H8 100.9 7_545 7_545 7_545 no C9 H8 C9 21.7 . . . no C9 H8 C9 141.3 . . . no C9 H8 C9 93.5 . . . no C9 H8 C10 35.6 . . . no C9 H8 C10 103.5 . . . no C9 H8 H4 145.0 . . . no C9 H8 H4 123.2 . . . no C9 H8 H7 60.4 . . . no C9 H8 H7 105.6 . . . no C9 H8 H8 30.3 . . . no C9 H8 H8 149.7 . . . no C9 H8 H8 79.1 . . . no C9 H8 C9 163.0 7 7 7 no C9 H8 C9 91.7 7 7 7 no C9 H8 C10 14.0 7 7 7 no C9 H8 C10 107.5 7 7 7 no C9 H8 H4 128.3 7 7 7 no C9 H8 H4 105.1 7 7 7 no C9 H8 H7 82.0 7 7 7 no C9 H8 H7 127.2 7 7 7 no C9 H8 H8 8.6 7 7 7 no C9 H8 H8 171.4 7 7 7 no C9 H8 H8 78.3 7 7 7 no C9 H8 C9 89.9 7_545 7_545 7_545 no C9 H8 C10 176.3 7_545 7_545 7_545 no C9 H8 C10 71.1 7_545 7_545 7_545 no C9 H8 H4 66.4 7_545 7_545 7_545 no C9 H8 H4 89.6 7_545 7_545 7_545 no C9 H8 H7 81.1 7_545 7_545 7_545 no C9 H8 H7 35.9 7_545 7_545 7_545 no C9 H8 H8 171.7 7_545 7_545 7_545 no C9 H8 H8 8.3 7_545 7_545 7_545 no C9 H8 H8 101.1 7_545 7_545 7_545 no C9 H8 C10 88.5 5_656 5_656 5_656 no C9 H8 C10 20.2 5_656 5_656 5_656 no C9 H8 H4 110.4 5_656 5_656 5_656 no C9 H8 H4 114.2 5_656 5_656 5_656 no C9 H8 H7 100.0 5_656 5_656 5_656 no C9 H8 H7 96.3 5_656 5_656 5_656 no C9 H8 H8 90.9 5_656 5_656 5_656 no C9 H8 H8 89.1 5_656 5_656 5_656 no C9 H8 H8 14.4 5_656 5_656 5_656 no C10 H8 C10 106.9 . . . no C10 H8 H4 117.3 . . . no C10 H8 H4 94.1 . . . no C10 H8 H7 95.9 . . . no C10 H8 H7 141.1 . . . no C10 H8 H8 5.6 . . . no C10 H8 H8 174.4 . . . no C10 H8 H8 76.8 . . . no C10 H8 H4 107.6 3_646 3_646 3_646 no C10 H8 H4 119.7 3_646 3_646 3_646 no C10 H8 H7 89.7 3_646 3_646 3_646 no C10 H8 H7 76.8 3_646 3_646 3_646 no C10 H8 H8 108.4 3_646 3_646 3_646 no C10 H8 H8 71.6 3_646 3_646 3_646 no C10 H8 H8 30.1 3_646 3_646 3_646 no H4 H8 H4 23.3 3_647 3_647 3_647 no H4 H8 H7 134.5 3_647 3_647 3_647 no H4 H8 H7 97.1 3_647 3_647 3_647 no H4 H8 H8 120.9 3_647 3_647 3_647 no H4 H8 H8 59.1 3_647 3_647 3_647 no H4 H8 H8 123.2 3_647 3_647 3_647 no H4 H8 H7 144.5 5_657 5_657 5_657 no H4 H8 H7 118.2 5_657 5_657 5_657 no H4 H8 H8 97.6 5_657 5_657 5_657 no H4 H8 H8 82.4 5_657 5_657 5_657 no H4 H8 H8 122.7 5_657 5_657 5_657 no H7 H8 H7 45.2 . . . no H7 H8 H8 90.6 . . . no H7 H8 H8 89.4 . . . no H7 H8 H8 92.8 . . . no H7 H8 H8 135.8 7_545 7_545 7_545 no H7 H8 H8 44.2 7_545 7_545 7_545 no H7 H8 H8 100.1 7_545 7_545 7_545 no H8 H8 H8 180.0 7 7 7 no H8 H8 H8 78.5 7 7 7 no H8 H8 H8 101.5 7_545 7_545 7_545 no #------------------------------------------------------------------------------ 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 ? ? ? ? ? ? #------------------------------------------------------------------------------ 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? # -- ENTER TORSION ANGLES HERE, ONE PER LINE -- # e.g. C1 C2 C3 C4 52.8(1) . . . . yes #------------------------------------------------------------------------------ #============================================================================== # Additional structures and associated data_? identifiers # should be added at this point if there is more than one # structure analysis in the CIF. #============================================================================== # End of CIF #============================================================================== data__1H.HCl____ _database_code_CSD 171689 _audit_creation_date '2000-03-24' _audit_creation_method 'by teXsan for Windows v1.06' _audit_update_record ; ? ; _journal_coden_Cambridge 440 _publ_requested_journal 'New Journal of Chemistry' loop_ _publ_author_name 'Bagieu Beucher, M.' 'George, S.' 'Masse, R.' 'Muthuraman, M.' 'Nangia, A.' 'Nicoud, Jean-Francois' _publ_contact_author_name 'Dr A Nangia' _publ_contact_author_address ; School of Chemistry University of Hyderabad P O Central University Hyderabad 500046 INDIA ; _publ_contact_author_email 'ANSC@UOHYD.ERNET.IN' _publ_section_title ; Crystal Engineering of Neutral N-Aryl Pyrimidinones and their HCl, HNO3 Adducts With C-H...O Supramolecular Synthon. Implications Towards Non-Linear Optics ; #=============================================================================== # TEXT _publ_section_abstract ; ? ; _publ_section_exptl_refinement ; Nearly all the H atoms can be located by Fourier difference. We have calulated the positions of the H atoms connected to a C atom and saved only H1 from the Fourier difference. H atoms have not been refined. An average thermal factor U~iso~ = 0.057 \%A^2^ is attributed to each H atom. ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation. (1997-1998). teXsan for Windows version 1.03. Single Crystal Structure Analysis Software. Version 1.04. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). J. Appl. Cryst., 26, 343. ; _publ_section_acknowledgements ; Financial support from the Indo-French Center for the Promotion of Advanced Research (IFCPAR contract no. 1708-1) is gratefully acknowledged. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #------------------------------------------------------------------------------ #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan for Windows (MSC, 1997)' _computing_structure_solution ; SIR92 (Altomare, et. al. 1993) ; _computing_structure_refinement 'teXsan for Windows (MSC, 1997)' _computing_publication_material 'teXsan for Windows (MSC, 1997)' #------------------------------------------------------------------------------ _cell_length_a 6.801(1) _cell_length_b 12.199(1) _cell_length_c 7.327(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 607.9(1) _cell_formula_units_Z 2 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 10.0 _cell_measurement_theta_max 14.0 #------------------------------------------------------------------------------ _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P m n 21 ' _symmetry_Int_Tables_number 31 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x, +y, +z' '1/2-x, -y,1/2+z' '1/2+x, -y,1/2+z' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description 'NONE' _exptl_crystal_colour 'colourless' _exptl_crystal_size_max 0.80 _exptl_crystal_size_mid 0.48 _exptl_crystal_size_min 0.32 _exptl_crystal_density_diffrn 1.293 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 236.70 _chemical_formula_analytical ? _chemical_formula_sum 'C12 H13 Cl N2 O ' _chemical_formula_moiety 'C12 H13 Cl N2 O ' _chemical_formula_structural ? _chemical_compound_source 'Local laboratory' _exptl_crystal_F_000 248.00 _exptl_absorpt_coefficient_mu 0.294 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; #------------------------------------------------------------------------------ # EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator 'graphite' _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device 'CAD4' _diffrn_measurement_method \w-2\q _diffrn_standards_number 2 _diffrn_standards_interval_count '7200 s' _diffrn_standards_decay_% -0.32 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 3 3 3 -3 -3 -3 _diffrn_reflns_number 2150 _reflns_number_total 1654 _reflns_number_gt 1105 _reflns_threshold_expression I>2.50\s(I) _diffrn_reflns_av_R_equivalents 0.014 _diffrn_reflns_av_sigmaI/netI 0.020 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 0 _diffrn_reflns_theta_min 3.34 _diffrn_reflns_theta_max 32.96 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.00890 _diffrn_orient_matrix_UB_12 -0.07677 _diffrn_orient_matrix_UB_13 0.04710 _diffrn_orient_matrix_UB_21 -0.14332 _diffrn_orient_matrix_UB_22 -0.01065 _diffrn_orient_matrix_UB_23 -0.02477 _diffrn_orient_matrix_UB_31 0.03157 _diffrn_orient_matrix_UB_32 -0.02669 _diffrn_orient_matrix_UB_33 -0.12568 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 24 0.002 0.002 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; H 0 26 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; N 0 4 0.004 0.003 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; O 0 2 0.008 0.006 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; Cl 0 2 0.132 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #============================================================================== # ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom Cl1 1.5000 0.32686(4) 0.6755 0.05670(13) 1.0 ST Uani d ? O1 1.0000 0.36470(13) 1.1147(2) 0.0649(5) 1.0 ST Uani d ? N1 1.0000 0.30690(10) 0.8170(2) 0.0366(3) 1.0 ST Uani d ? N2 1.0000 0.49290(11) 0.8903(2) 0.0426(3) 1.0 ST Uani d ? C1 1.0000 0.38697(13) 0.9533(3) 0.0423(4) 1.0 ST Uani d ? C2 1.0000 0.52114(13) 0.7146(3) 0.0384(4) 1.0 ST Uani d ? C3 1.0000 0.44011(12) 0.5833(3) 0.0386(4) 1.0 ST Uani d ? C4 1.0000 0.33148(11) 0.6369(2) 0.0360(4) 1.0 ST Uani d ? C5 1.0000 0.2414(2) 0.5025(3) 0.0522(5) 1.0 ST Uani d ? C6 1.0000 0.64167(13) 0.6746(4) 0.0547(5) 1.0 ST Uani d ? C7 1.0000 0.19420(12) 0.8818(3) 0.0410(4) 1.0 ST Uani d ? C8 1.1767(2) 0.14426(10) 0.9164(3) 0.0635(4) 1.000 . Uani d ? C9 1.1736(3) 0.03725(13) 0.9833(4) 0.0838(7) 1.000 . Uani d ? C10 1.0000 -0.0173(2) 1.0129(6) 0.0770(8) 1.0 ST Uani d ? H1 1.0000 0.5527 0.9500 0.057 1.0 S Uiso d ? H2 1.1203 0.6729 0.7153 0.057 1.000 . Uiso c ? H3 1.0000 0.6530 0.5473 0.057 1.0 S Uiso d ? H4 1.0000 0.4588 0.4572 0.057 1.0 S Uiso d ? H5 1.0000 0.2714 0.3826 0.057 1.0 S Uiso d ? H6 1.1140 0.1977 0.5189 0.057 1.000 . Uiso c ? H7 1.2977 0.1812 0.8957 0.057 1.000 . Uiso c ? H8 1.2941 0.0011 1.0085 0.057 1.000 . Uiso c ? H9 1.0000 -0.0904 1.0585 0.057 1.0 S Uiso d ? 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 Cl1 0.0579(2) 0.0579(3) 0.0543(3) 0.0000 0.0000 0.0220(2) O1 0.114(1) 0.0504(7) 0.0303(6) 0.0000 0.0000 0.0074(6) N1 0.0485(7) 0.0302(5) 0.0313(7) 0.0000 0.0000 0.0061(5) N2 0.0606(8) 0.0333(5) 0.0340(6) 0.0000 0.0000 0.0002(5) C1 0.0603(9) 0.0354(7) 0.0311(7) 0.0000 0.0000 0.0035(6) C2 0.0439(7) 0.0342(7) 0.0370(8) 0.0000 0.0000 0.0060(6) C3 0.0505(8) 0.0342(6) 0.0311(8) 0.0000 0.0000 0.0068(5) C4 0.0458(7) 0.0330(6) 0.0292(8) 0.0000 0.0000 0.0037(5) C5 0.0811(12) 0.0393(8) 0.0363(8) 0.0000 0.0000 0.0003(7) C6 0.0764(11) 0.0337(6) 0.0540(11) 0.0000 0.0000 0.0100(9) C7 0.0537(9) 0.0311(6) 0.0381(8) 0.0000 0.0000 0.0067(6) C8 0.0602(7) 0.0445(6) 0.0857(13) 0.0080(6) 0.0073(8) 0.0226(8) C9 0.0795(11) 0.0518(8) 0.120(2) 0.0188(7) 0.0037(12) 0.0354(11) C10 0.096(2) 0.0406(9) 0.095(2) 0.0000 0.0000 0.0289(12) #============================================================================== # REFINEMENT DATA _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00040|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 1105 _refine_ls_number_parameters 90 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0398 _refine_ls_R_factor_gt 0.0400 _refine_ls_wR_factor_all 0.0520 _refine_ls_wR_factor_ref 0.0520 _refine_ls_goodness_of_fit_all 2.008 _refine_ls_goodness_of_fit_ref 2.010 _refine_ls_shift/su_max 0.0000 _refine_ls_shift/su_mean 0.0001 _refine_diff_density_min -0.27 _refine_diff_density_max 0.48 #============================================================================== # MOLECULAR GEOMETRY _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 CL1 H1 2.01(6) . . no CL1 H3 2.66(9) . . no CL1 H7 2.68(3) . . no CL1 H7 2.68(3) . . no O1 C1 1.215(3) . . ? N1 C1 1.399(3) . . ? N1 C4 1.353(3) . . ? N1 C7 1.455(3) . . ? N2 C1 1.374(3) . . ? N2 C2 1.335(3) . . ? N2 H1 1.07(5) . . no C2 C3 1.376(3) . . ? C2 C6 1.493(3) . . ? C2 H1 1.91(6) . . no C3 C4 1.386(3) . . ? C3 H4 0.90(4) . . no C4 C5 1.476(3) . . ? C4 H4 1.97(4) . . no C5 H5 0.91(6) . . no C5 H6 0.90(3) . . no C5 H6 0.90(3) . . no C6 H2 1.01(3) . . no C6 H2 1.01(3) . . no C6 H3 1.02(9) . . no C7 C8 1.374(2) . . ? C7 C8 1.374(2) . . ? C8 C9 1.394(3) . . ? C8 H7 1.04(3) . . no C9 C10 1.370(3) . . ? C9 H8 0.96(5) . . no C10 H9 0.95(4) . . 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 O1 CL1 N1 95.89(3) 3_764 3_764 3_764 ? O1 CL1 N1 95.90(3) 3_764 3_764 3_764 ? O1 CL1 N2 36.86(5) 3_764 3_764 3_764 ? O1 CL1 C1 18.29(5) 3_764 3_764 3_764 ? O1 CL1 C2 54.54(5) 3_764 3_764 3_764 ? O1 CL1 C3 67.06(3) 3_764 3_764 3_764 ? O1 CL1 C3 67.06(3) 3_764 3_764 3_764 ? O1 CL1 C4 88.50(4) 3_764 3_764 3_764 ? O1 CL1 C4 88.50(4) 3_764 3_764 3_764 ? O1 CL1 C5 103.59(5) 3_764 3_764 3_764 ? O1 CL1 C5 103.59(5) 3_764 3_764 3_764 ? O1 CL1 C6 77.24(5) 3_764 3_764 3_764 ? O1 CL1 C6 90.74(5) 3_764 3_764 3_764 ? O1 CL1 C8 132.43(4) 3_764 3_764 3_764 ? O1 CL1 C8 132.43(4) 3_764 3_764 3_764 ? O1 CL1 C10 155.62(9) 3_764 3_764 3_764 ? O1 CL1 H1 44.4(16) 3_764 3_764 3_764 no O1 CL1 H2 85.2(4) 3_764 3_764 3_764 no O1 CL1 H2 85.2(4) 3_764 3_764 3_764 no O1 CL1 H3 92.6(10) 3_764 3_764 3_764 no O1 CL1 H4 44.9(7) 3_764 3_764 3_764 no O1 CL1 H6 115.7(6) 3_764 3_764 3_764 no O1 CL1 H6 115.7(6) 3_764 3_764 3_764 no O1 CL1 H7 135.7(5) 3_764 3_764 3_764 no O1 CL1 H7 135.7(5) 3_764 3_764 3_764 no O1 CL1 H9 152.7(10) 3_764 3_764 3_764 no N1 CL1 N1 145.26(6) . . . ? N1 CL1 N2 104.50(3) . . . ? N1 CL1 C1 100.69(3) . . . ? N1 CL1 C2 106.74(3) . . . ? N1 CL1 C3 37.72(4) . . . ? N1 CL1 C3 161.34(5) . . . ? N1 CL1 C4 22.23(4) . . . ? N1 CL1 C4 167.49(5) . . . ? N1 CL1 C5 38.64(5) . . . ? N1 CL1 C5 159.70(5) . . . ? N1 CL1 C6 107.23(3) . . . ? N1 CL1 C6 73.64(3) . . . ? N1 CL1 C8 39.77(4) . . . ? N1 CL1 C8 113.45(5) . . . ? N1 CL1 C10 91.27(4) . . . ? N1 CL1 H1 105.6(2) . . . no N1 CL1 H2 120.1(6) . . . no N1 CL1 H2 93.4(6) . . . no N1 CL1 H3 73.46(10) . . . no N1 CL1 H4 82.8(2) . . . no N1 CL1 H6 45.6(7) . . . no N1 CL1 H6 146.9(5) . . . no N1 CL1 H7 47.5(6) . . . no N1 CL1 H7 104.2(7) . . . no N1 CL1 H9 92.1(3) . . . no N1 CL1 N2 104.50(3) 1_655 1_655 1_655 ? N1 CL1 C1 100.69(3) 1_655 1_655 1_655 ? N1 CL1 C2 106.73(3) 1_655 1_655 1_655 ? N1 CL1 C3 161.34(5) 1_655 1_655 1_655 ? N1 CL1 C3 37.72(4) 1_655 1_655 1_655 ? N1 CL1 C4 167.49(5) 1_655 1_655 1_655 ? N1 CL1 C4 22.23(4) 1_655 1_655 1_655 ? N1 CL1 C5 159.69(5) 1_655 1_655 1_655 ? N1 CL1 C5 38.64(5) 1_655 1_655 1_655 ? N1 CL1 C6 107.22(3) 1_655 1_655 1_655 ? N1 CL1 C6 73.65(3) 1_655 1_655 1_655 ? N1 CL1 C8 113.45(5) 1_655 1_655 1_655 ? N1 CL1 C8 39.77(4) 1_655 1_655 1_655 ? N1 CL1 C10 91.27(4) 1_655 1_655 1_655 ? N1 CL1 H1 105.6(2) 1_655 1_655 1_655 no N1 CL1 H2 93.4(6) 1_655 1_655 1_655 no N1 CL1 H2 120.1(6) 1_655 1_655 1_655 no N1 CL1 H3 73.47(10) 1_655 1_655 1_655 no N1 CL1 H4 82.8(2) 1_655 1_655 1_655 no N1 CL1 H6 146.9(5) 1_655 1_655 1_655 no N1 CL1 H6 45.6(7) 1_655 1_655 1_655 no N1 CL1 H7 104.2(7) 1_655 1_655 1_655 no N1 CL1 H7 47.5(6) 1_655 1_655 1_655 no N1 CL1 H9 92.1(3) 1_655 1_655 1_655 no N2 CL1 C1 18.57(5) 3_764 3_764 3_764 ? N2 CL1 C2 17.67(5) 3_764 3_764 3_764 ? N2 CL1 C3 66.83(3) 3_764 3_764 3_764 ? N2 CL1 C3 66.82(3) 3_764 3_764 3_764 ? N2 CL1 C4 86.03(4) 3_764 3_764 3_764 ? N2 CL1 C4 86.02(4) 3_764 3_764 3_764 ? N2 CL1 C5 88.20(5) 3_764 3_764 3_764 ? N2 CL1 C5 88.20(5) 3_764 3_764 3_764 ? N2 CL1 C6 40.37(5) 3_764 3_764 3_764 ? N2 CL1 C6 127.60(6) 3_764 3_764 3_764 ? N2 CL1 C8 142.01(4) 3_764 3_764 3_764 ? N2 CL1 C8 142.00(4) 3_764 3_764 3_764 ? N2 CL1 C10 118.76(10) 3_764 3_764 3_764 ? N2 CL1 H1 7.5(16) 3_764 3_764 3_764 no N2 CL1 H2 49.5(4) 3_764 3_764 3_764 no N2 CL1 H2 49.5(4) 3_764 3_764 3_764 no N2 CL1 H3 129.4(10) 3_764 3_764 3_764 no N2 CL1 H4 81.8(7) 3_764 3_764 3_764 no N2 CL1 H6 96.0(7) 3_764 3_764 3_764 no N2 CL1 H6 96.0(7) 3_764 3_764 3_764 no N2 CL1 H7 151.2(7) 3_764 3_764 3_764 no N2 CL1 H7 151.2(7) 3_764 3_764 3_764 no N2 CL1 H9 115.9(10) 3_764 3_764 3_764 no C1 CL1 C2 36.24(5) 3_764 3_764 3_764 ? C1 CL1 C3 65.62(3) 3_764 3_764 3_764 ? C1 CL1 C3 65.62(3) 3_764 3_764 3_764 ? C1 CL1 C4 87.13(4) 3_764 3_764 3_764 ? C1 CL1 C4 87.12(4) 3_764 3_764 3_764 ? C1 CL1 C5 96.22(5) 3_764 3_764 3_764 ? C1 CL1 C5 96.22(5) 3_764 3_764 3_764 ? C1 CL1 C6 58.94(5) 3_764 3_764 3_764 ? C1 CL1 C6 109.03(5) 3_764 3_764 3_764 ? C1 CL1 C8 140.40(3) 3_764 3_764 3_764 ? C1 CL1 C8 140.40(3) 3_764 3_764 3_764 ? C1 CL1 C10 137.33(10) 3_764 3_764 3_764 ? C1 CL1 H1 26.1(16) 3_764 3_764 3_764 no C1 CL1 H2 67.4(4) 3_764 3_764 3_764 no C1 CL1 H2 67.4(4) 3_764 3_764 3_764 no C1 CL1 H3 110.9(10) 3_764 3_764 3_764 no C1 CL1 H4 63.2(7) 3_764 3_764 3_764 no C1 CL1 H6 106.5(6) 3_764 3_764 3_764 no C1 CL1 H6 106.5(6) 3_764 3_764 3_764 no C1 CL1 H7 146.9(5) 3_764 3_764 3_764 no C1 CL1 H7 147.0(5) 3_764 3_764 3_764 no C1 CL1 H9 134.4(10) 3_764 3_764 3_764 no C2 CL1 C3 70.30(4) 3_764 3_764 3_764 ? C2 CL1 C3 70.30(4) 3_764 3_764 3_764 ? C2 CL1 C4 85.37(4) 3_764 3_764 3_764 ? C2 CL1 C4 85.36(4) 3_764 3_764 3_764 ? C2 CL1 C5 80.70(5) 3_764 3_764 3_764 ? C2 CL1 C5 80.70(5) 3_764 3_764 3_764 ? C2 CL1 C6 22.70(5) 3_764 3_764 3_764 ? C2 CL1 C6 145.28(5) 3_764 3_764 3_764 ? C2 CL1 C8 136.76(5) 3_764 3_764 3_764 ? C2 CL1 C8 136.76(5) 3_764 3_764 3_764 ? C2 CL1 C10 101.08(9) 3_764 3_764 3_764 ? C2 CL1 H1 10.2(16) 3_764 3_764 3_764 no C2 CL1 H2 33.0(4) 3_764 3_764 3_764 no C2 CL1 H2 33.0(4) 3_764 3_764 3_764 no C2 CL1 H3 147.1(10) 3_764 3_764 3_764 no C2 CL1 H4 99.4(7) 3_764 3_764 3_764 no C2 CL1 H6 85.5(8) 3_764 3_764 3_764 no C2 CL1 H6 85.5(8) 3_764 3_764 3_764 no C2 CL1 H7 145.8(7) 3_764 3_764 3_764 no C2 CL1 H7 145.8(7) 3_764 3_764 3_764 no C2 CL1 H9 98.2(10) 3_764 3_764 3_764 no C3 CL1 C3 131.23(6) . . . ? C3 CL1 C4 21.77(4) . . . ? C3 CL1 C4 152.41(5) . . . ? C3 CL1 C5 38.89(5) . . . ? C3 CL1 C5 149.54(6) . . . ? C3 CL1 C6 77.36(4) . . . ? C3 CL1 C6 98.11(4) . . . ? C3 CL1 C8 76.27(5) . . . ? C3 CL1 C8 151.16(5) . . . ? C3 CL1 C10 107.39(5) . . . ? C3 CL1 H1 68.0(3) . . . no C3 CL1 H2 92.7(5) . . . no C3 CL1 H2 67.9(6) . . . no C3 CL1 H3 98.8(4) . . . no C3 CL1 H4 79.6(3) . . . no C3 CL1 H6 51.7(5) . . . no C3 CL1 H6 147.9(8) . . . no C3 CL1 H7 84.8(6) . . . no C3 CL1 H7 141.9(7) . . . no C3 CL1 H9 106.5(3) . . . no C3 CL1 C4 152.41(5) 1_655 1_655 1_655 ? C3 CL1 C4 21.77(4) 1_655 1_655 1_655 ? C3 CL1 C5 149.54(6) 1_655 1_655 1_655 ? C3 CL1 C5 38.89(5) 1_655 1_655 1_655 ? C3 CL1 C6 77.35(4) 1_655 1_655 1_655 ? C3 CL1 C6 98.12(4) 1_655 1_655 1_655 ? C3 CL1 C8 151.16(5) 1_655 1_655 1_655 ? C3 CL1 C8 76.27(5) 1_655 1_655 1_655 ? C3 CL1 C10 107.38(5) 1_655 1_655 1_655 ? C3 CL1 H1 68.0(3) 1_655 1_655 1_655 no C3 CL1 H2 67.9(6) 1_655 1_655 1_655 no C3 CL1 H2 92.6(5) 1_655 1_655 1_655 no C3 CL1 H3 98.8(4) 1_655 1_655 1_655 no C3 CL1 H4 79.6(3) 1_655 1_655 1_655 no C3 CL1 H6 147.9(8) 1_655 1_655 1_655 no C3 CL1 H6 51.7(5) 1_655 1_655 1_655 no C3 CL1 H7 141.9(7) 1_655 1_655 1_655 no C3 CL1 H7 84.8(6) 1_655 1_655 1_655 no C3 CL1 H9 106.5(3) 1_655 1_655 1_655 no C4 CL1 C4 170.27(7) . . . ? C4 CL1 C5 22.98(5) . . . ? C4 CL1 C5 150.92(6) . . . ? C4 CL1 C6 85.16(4) . . . ? C4 CL1 C6 94.64(4) . . . ? C4 CL1 C8 56.08(5) . . . ? C4 CL1 C8 131.30(5) . . . ? C4 CL1 C10 89.46(4) . . . ? C4 CL1 H1 85.70(7) . . . no C4 CL1 H2 98.7(6) . . . no C4 CL1 H2 71.9(6) . . . no C4 CL1 H3 94.68(5) . . . no C4 CL1 H4 92.20(6) . . . no C4 CL1 H6 34.6(6) . . . no C4 CL1 H6 141.3(6) . . . no C4 CL1 H7 65.1(7) . . . no C4 CL1 H7 122.7(6) . . . no C4 CL1 H9 89.22(9) . . . no C4 CL1 C5 150.92(6) 1_655 1_655 1_655 ? C4 CL1 C5 22.98(5) 1_655 1_655 1_655 ? C4 CL1 C6 85.15(4) 1_655 1_655 1_655 ? C4 CL1 C6 94.65(4) 1_655 1_655 1_655 ? C4 CL1 C8 131.30(5) 1_655 1_655 1_655 ? C4 CL1 C8 56.09(5) 1_655 1_655 1_655 ? C4 CL1 C10 89.46(4) 1_655 1_655 1_655 ? C4 CL1 H1 85.69(7) 1_655 1_655 1_655 no C4 CL1 H2 71.9(6) 1_655 1_655 1_655 no C4 CL1 H2 98.7(6) 1_655 1_655 1_655 no C4 CL1 H3 94.69(5) 1_655 1_655 1_655 no C4 CL1 H4 92.21(6) 1_655 1_655 1_655 no C4 CL1 H6 141.3(6) 1_655 1_655 1_655 no C4 CL1 H6 34.6(6) 1_655 1_655 1_655 no C4 CL1 H7 122.7(6) 1_655 1_655 1_655 no C4 CL1 H7 65.1(7) 1_655 1_655 1_655 no C4 CL1 H9 89.21(9) 1_655 1_655 1_655 no C5 CL1 C5 128.45(8) . . . ? C5 CL1 C6 72.26(5) . . . ? C5 CL1 C6 111.26(5) . . . ? C5 CL1 C8 56.11(6) . . . ? C5 CL1 C8 122.90(6) . . . ? C5 CL1 C10 68.59(5) . . . ? C5 CL1 H1 85.0(7) . . . no C5 CL1 H2 82.8(6) . . . no C5 CL1 H2 57.1(5) . . . no C5 CL1 H3 110.8(3) . . . no C5 CL1 H4 115.13(8) . . . no C5 CL1 H6 12.8(5) . . . no C5 CL1 H6 118.4(6) . . . no C5 CL1 H7 65.3(7) . . . no C5 CL1 H7 116.8(6) . . . no C5 CL1 H9 67.9(2) . . . no C5 CL1 C6 72.25(5) 1_655 1_655 1_655 ? C5 CL1 C6 111.27(5) 1_655 1_655 1_655 ? C5 CL1 C8 122.90(6) 1_655 1_655 1_655 ? C5 CL1 C8 56.11(6) 1_655 1_655 1_655 ? C5 CL1 C10 68.59(5) 1_655 1_655 1_655 ? C5 CL1 H1 85.0(7) 1_655 1_655 1_655 no C5 CL1 H2 57.1(5) 1_655 1_655 1_655 no C5 CL1 H2 82.8(6) 1_655 1_655 1_655 no C5 CL1 H3 110.8(3) 1_655 1_655 1_655 no C5 CL1 H4 115.14(8) 1_655 1_655 1_655 no C5 CL1 H6 118.4(6) 1_655 1_655 1_655 no C5 CL1 H6 12.8(5) 1_655 1_655 1_655 no C5 CL1 H7 116.8(6) 1_655 1_655 1_655 no C5 CL1 H7 65.3(7) 1_655 1_655 1_655 no C5 CL1 H9 67.9(2) 1_655 1_655 1_655 no C6 CL1 C6 167.98(7) 3_764 3_764 3_764 ? C6 CL1 C8 123.55(6) 3_764 3_764 3_764 ? C6 CL1 C8 123.55(6) 3_764 3_764 3_764 ? C6 CL1 C10 78.38(9) 3_764 3_764 3_764 ? C6 CL1 H1 32.9(16) 3_764 3_764 3_764 no C6 CL1 H2 15.5(5) 3_764 3_764 3_764 no C6 CL1 H2 15.5(5) 3_764 3_764 3_764 no C6 CL1 H3 169.8(10) 3_764 3_764 3_764 no C6 CL1 H4 122.1(7) 3_764 3_764 3_764 no C6 CL1 H6 72.6(8) 3_764 3_764 3_764 no C6 CL1 H6 72.6(8) 3_764 3_764 3_764 no C6 CL1 H7 130.6(7) 3_764 3_764 3_764 no C6 CL1 H7 130.6(7) 3_764 3_764 3_764 no C6 CL1 H9 75.5(10) 3_764 3_764 3_764 no C6 CL1 C8 65.00(6) 3_765 3_765 3_765 ? C6 CL1 C8 65.01(6) 3_765 3_765 3_765 ? C6 CL1 C10 113.64(9) 3_765 3_765 3_765 ? C6 CL1 H1 135.1(16) 3_765 3_765 3_765 no C6 CL1 H2 166.0(6) 3_765 3_765 3_765 no C6 CL1 H2 166.0(6) 3_765 3_765 3_765 no C6 CL1 H3 1.8(10) 3_765 3_765 3_765 no C6 CL1 H4 45.8(7) 3_765 3_765 3_765 no C6 CL1 H6 113.5(8) 3_765 3_765 3_765 no C6 CL1 H6 113.5(8) 3_765 3_765 3_765 no C6 CL1 H7 59.0(7) 3_765 3_765 3_765 no C6 CL1 H7 59.0(7) 3_765 3_765 3_765 no C6 CL1 H9 116.5(10) 3_765 3_765 3_765 no C8 CL1 C8 75.35(7) . . . ? C8 CL1 C10 63.66(7) . . . ? C8 CL1 H1 140.5(4) . . . no C8 CL1 H2 126.9(5) . . . no C8 CL1 H2 108.4(5) . . . no C8 CL1 H3 63.7(8) . . . no C8 CL1 H4 100.7(5) . . . no C8 CL1 H6 51.9(8) . . . no C8 CL1 H6 111.5(6) . . . no C8 CL1 H7 9.4(7) . . . no C8 CL1 H7 66.6(6) . . . no C8 CL1 H9 65.8(7) . . . no C8 CL1 C10 63.66(7) 2_855 2_855 2_855 ? C8 CL1 H1 140.5(4) 2_855 2_855 2_855 no C8 CL1 H2 108.4(5) 2_855 2_855 2_855 no C8 CL1 H2 126.8(5) 2_855 2_855 2_855 no C8 CL1 H3 63.7(8) 2_855 2_855 2_855 no C8 CL1 H4 100.7(5) 2_855 2_855 2_855 no C8 CL1 H6 111.5(6) 2_855 2_855 2_855 no C8 CL1 H6 51.9(8) 2_855 2_855 2_855 no C8 CL1 H7 66.6(6) 2_855 2_855 2_855 no C8 CL1 H7 9.4(7) 2_855 2_855 2_855 no C8 CL1 H9 65.8(7) 2_855 2_855 2_855 no C10 CL1 H1 111.2(16) 3_754 3_754 3_754 no C10 CL1 H2 71.1(4) 3_754 3_754 3_754 no C10 CL1 H2 71.1(4) 3_754 3_754 3_754 no C10 CL1 H3 111.8(10) 3_754 3_754 3_754 no C10 CL1 H4 159.5(7) 3_754 3_754 3_754 no C10 CL1 H6 55.8(5) 3_754 3_754 3_754 no C10 CL1 H6 55.8(5) 3_754 3_754 3_754 no C10 CL1 H7 63.7(6) 3_754 3_754 3_754 no C10 CL1 H7 63.7(6) 3_754 3_754 3_754 no C10 CL1 H9 2.9(10) 3_754 3_754 3_754 no H1 CL1 H2 42.4(15) 3_764 3_764 3_764 no H1 CL1 H2 42.4(15) 3_764 3_764 3_764 no H1 CL1 H3 136.9(21) 3_764 3_764 3_764 no H1 CL1 H4 89.3(19) 3_764 3_764 3_764 no H1 CL1 H6 91.5(12) 3_764 3_764 3_764 no H1 CL1 H6 91.5(12) 3_764 3_764 3_764 no H1 CL1 H7 149.9(8) 3_764 3_764 3_764 no H1 CL1 H7 149.9(8) 3_764 3_764 3_764 no H1 CL1 H9 108.3(18) 3_764 3_764 3_764 no H2 CL1 H2 26.8(11) 4_564 4_564 4_564 no H2 CL1 H3 166.4(6) 4_564 4_564 4_564 no H2 CL1 H4 128.6(8) 4_564 4_564 4_564 no H2 CL1 H6 80.3(9) 4_564 4_564 4_564 no H2 CL1 H6 57.1(9) 4_564 4_564 4_564 no H2 CL1 H7 131.5(8) 4_564 4_564 4_564 no H2 CL1 H7 116.0(9) 4_564 4_564 4_564 no H2 CL1 H9 68.3(10) 4_564 4_564 4_564 no H2 CL1 H3 166.4(6) 3_764 3_764 3_764 no H2 CL1 H4 128.6(8) 3_764 3_764 3_764 no H2 CL1 H6 57.2(9) 3_764 3_764 3_764 no H2 CL1 H6 80.3(9) 3_764 3_764 3_764 no H2 CL1 H7 116.0(9) 3_764 3_764 3_764 no H2 CL1 H7 131.5(8) 3_764 3_764 3_764 no H2 CL1 H9 68.3(10) 3_764 3_764 3_764 no H3 CL1 H4 47.6(12) 3_765 3_765 3_765 no H3 CL1 H6 112.7(10) 3_765 3_765 3_765 no H3 CL1 H6 112.7(10) 3_765 3_765 3_765 no H3 CL1 H7 57.5(10) 3_765 3_765 3_765 no H3 CL1 H7 57.5(10) 3_765 3_765 3_765 no H3 CL1 H9 114.7(14) 3_765 3_765 3_765 no H4 CL1 H6 126.4(6) 3_765 3_765 3_765 no H4 CL1 H6 126.4(6) 3_765 3_765 3_765 no H4 CL1 H7 98.6(9) 3_765 3_765 3_765 no H4 CL1 H7 98.6(9) 3_765 3_765 3_765 no H4 CL1 H9 162.4(11) 3_765 3_765 3_765 no H6 CL1 H6 107.2(12) . . . no H6 CL1 H7 60.4(10) . . . no H6 CL1 H7 106.4(8) . . . no H6 CL1 H9 55.2(6) . . . no H6 CL1 H7 106.4(8) 2_855 2_855 2_855 no H6 CL1 H7 60.4(10) 2_855 2_855 2_855 no H6 CL1 H9 55.2(6) 2_855 2_855 2_855 no H7 CL1 H7 57.6(13) . . . no H7 CL1 H9 66.2(10) . . . no H7 CL1 H9 66.2(10) 2_855 2_855 2_855 no CL1 O1 N1 114.67(8) 3_765 3_765 3_765 ? CL1 O1 N2 53.09(7) 3_765 3_765 3_765 ? CL1 O1 C1 83.7(2) 3_765 3_765 3_765 ? CL1 O1 C2 63.68(5) 3_765 3_765 3_765 ? CL1 O1 C2 66.96(5) 3_765 3_765 3_765 ? CL1 O1 C2 66.96(5) 3_765 3_765 3_765 ? CL1 O1 C3 68.18(6) 3_765 3_765 3_765 ? CL1 O1 C4 103.33(6) 3_765 3_765 3_765 ? CL1 O1 C4 89.29(6) 3_765 3_765 3_765 ? CL1 O1 C5 111.16(8) 3_765 3_765 3_765 ? CL1 O1 C6 90.38(6) 3_765 3_765 3_765 ? CL1 O1 C6 90.38(6) 3_765 3_765 3_765 ? CL1 O1 C7 147.38(8) 3_765 3_765 3_765 ? CL1 O1 C8 149.90(6) 3_765 3_765 3_765 ? CL1 O1 C8 149.90(6) 3_765 3_765 3_765 ? CL1 O1 H1 30.8(13) 3_765 3_765 3_765 no CL1 O1 H2 99.2(5) 3_765 3_765 3_765 no CL1 O1 H2 99.2(5) 3_765 3_765 3_765 no CL1 O1 H3 95.5(8) 3_765 3_765 3_765 no CL1 O1 H3 95.5(8) 3_765 3_765 3_765 no CL1 O1 H4 60.1(7) 3_765 3_765 3_765 no CL1 O1 H5 114.4(13) 3_765 3_765 3_765 no CL1 O1 H6 117.9(6) 3_765 3_765 3_765 no CL1 O1 H6 117.9(6) 3_765 3_765 3_765 no CL1 O1 H7 133.5(4) 3_765 3_765 3_765 no CL1 O1 H7 133.5(4) 3_765 3_765 3_765 no N1 O1 N2 61.58(8) . . . ? N1 O1 C1 30.95(13) . . . ? N1 O1 C2 50.99(7) . . . ? N1 O1 C2 107.43(5) . . . ? N1 O1 C2 107.42(5) . . . ? N1 O1 C3 177.15(10) . . . ? N1 O1 C4 11.34(5) . . . ? N1 O1 C4 156.04(10) . . . ? N1 O1 C5 134.17(10) . . . ? N1 O1 C6 96.58(7) . . . ? N1 O1 C6 96.57(7) . . . ? N1 O1 C7 32.71(7) . . . ? N1 O1 C8 47.71(7) . . . ? N1 O1 C8 47.71(7) . . . ? N1 O1 H1 83.9(13) . . . no N1 O1 H2 103.7(8) . . . no N1 O1 H2 103.7(8) . . . no N1 O1 H3 79.7(14) . . . no N1 O1 H3 79.7(14) . . . no N1 O1 H4 174.8(7) . . . no N1 O1 H5 131.0(13) . . . no N1 O1 H6 126.1(6) . . . no N1 O1 H6 126.1(6) . . . no N1 O1 H7 49.7(6) . . . no N1 O1 H7 49.7(6) . . . no N2 O1 C1 30.63(13) . . . ? N2 O1 C2 10.59(6) . . . ? N2 O1 C2 83.38(6) . . . ? N2 O1 C2 83.38(6) . . . ? N2 O1 C3 121.27(10) . . . ? N2 O1 C4 50.24(7) . . . ? N2 O1 C4 142.38(11) . . . ? N2 O1 C5 164.25(12) . . . ? N2 O1 C6 96.16(7) . . . ? N2 O1 C6 96.15(7) . . . ? N2 O1 C7 94.29(10) . . . ? N2 O1 C8 104.20(9) . . . ? N2 O1 C8 104.20(9) . . . ? N2 O1 H1 22.3(13) . . . no N2 O1 H2 111.3(7) . . . no N2 O1 H2 111.3(7) . . . no N2 O1 H3 86.3(12) . . . no N2 O1 H3 86.3(12) . . . no N2 O1 H4 113.2(7) . . . no N2 O1 H5 167.5(13) . . . no N2 O1 H6 166.2(5) . . . no N2 O1 H6 166.2(5) . . . no N2 O1 H7 95.5(5) . . . no N2 O1 H7 95.5(5) . . . no C1 O1 C2 20.04(13) . . . ? C1 O1 C2 96.09(8) . . . ? C1 O1 C2 96.08(8) . . . ? C1 O1 C3 151.9(2) . . . ? C1 O1 C4 19.61(13) . . . ? C1 O1 C4 173.0(2) . . . ? C1 O1 C5 165.1(2) . . . ? C1 O1 C6 97.42(7) . . . ? C1 O1 C6 97.41(7) . . . ? C1 O1 C7 63.7(2) . . . ? C1 O1 C8 75.7(1) . . . ? C1 O1 C8 75.7(1) . . . ? C1 O1 H1 52.9(13) . . . no C1 O1 H2 110.5(8) . . . no C1 O1 H2 110.5(8) . . . no C1 O1 H3 81.8(14) . . . no C1 O1 H3 81.8(14) . . . no C1 O1 H4 143.8(7) . . . no C1 O1 H5 161.9(13) . . . no C1 O1 H6 155.4(6) . . . no C1 O1 H6 155.4(6) . . . no C1 O1 H7 71.4(5) . . . no C1 O1 H7 71.4(5) . . . no C2 O1 C2 87.75(4) . . . ? C2 O1 C2 87.74(4) . . . ? C2 O1 C3 131.85(9) . . . ? C2 O1 C4 39.65(5) . . . ? C2 O1 C4 152.97(8) . . . ? C2 O1 C5 174.84(10) . . . ? C2 O1 C6 96.82(7) . . . ? C2 O1 C6 96.81(7) . . . ? C2 O1 C7 83.70(8) . . . ? C2 O1 C8 94.37(8) . . . ? C2 O1 C8 94.37(8) . . . ? C2 O1 H1 32.9(13) . . . no C2 O1 H2 111.7(7) . . . no C2 O1 H2 111.7(7) . . . no C2 O1 H3 84.5(13) . . . no C2 O1 H3 84.5(13) . . . no C2 O1 H4 123.8(7) . . . no C2 O1 H5 178.0(13) . . . no C2 O1 H6 168.8(5) . . . no C2 O1 H6 168.8(5) . . . no C2 O1 H7 87.1(5) . . . no C2 O1 H7 87.1(5) . . . no C2 O1 C2 130.46(9) 3_665 3_665 3_665 ? C2 O1 C3 73.47(5) 3_665 3_665 3_665 ? C2 O1 C4 103.65(5) 3_665 3_665 3_665 ? C2 O1 C4 81.11(5) 3_665 3_665 3_665 ? C2 O1 C5 90.09(6) 3_665 3_665 3_665 ? C2 O1 C6 23.50(5) 3_665 3_665 3_665 ? C2 O1 C6 152.09(9) 3_665 3_665 3_665 ? C2 O1 C7 114.23(5) 3_665 3_665 3_665 ? C2 O1 C8 136.23(7) 3_665 3_665 3_665 ? C2 O1 C8 93.31(6) 3_665 3_665 3_665 ? C2 O1 H1 75.0(4) 3_665 3_665 3_665 no C2 O1 H2 33.8(5) 3_665 3_665 3_665 no C2 O1 H2 148.9(8) 3_665 3_665 3_665 no C2 O1 H3 33.6(11) 3_665 3_665 3_665 no C2 O1 H3 162.4(8) 3_665 3_665 3_665 no C2 O1 H4 71.0(2) 3_665 3_665 3_665 no C2 O1 H5 91.4(5) 3_665 3_665 3_665 no C2 O1 H6 103.1(6) 3_665 3_665 3_665 no C2 O1 H6 83.2(5) 3_665 3_665 3_665 no C2 O1 H7 151.7(5) 3_665 3_665 3_665 no C2 O1 H7 77.1(5) 3_665 3_665 3_665 no C2 O1 C3 73.48(5) 3_765 3_765 3_765 ? C2 O1 C4 103.64(5) 3_765 3_765 3_765 ? C2 O1 C4 81.11(5) 3_765 3_765 3_765 ? C2 O1 C5 90.10(6) 3_765 3_765 3_765 ? C2 O1 C6 152.09(9) 3_765 3_765 3_765 ? C2 O1 C6 23.50(5) 3_765 3_765 3_765 ? C2 O1 C7 114.22(5) 3_765 3_765 3_765 ? C2 O1 C8 93.31(6) 3_765 3_765 3_765 ? C2 O1 C8 136.23(7) 3_765 3_765 3_765 ? C2 O1 H1 75.0(4) 3_765 3_765 3_765 no C2 O1 H2 148.9(8) 3_765 3_765 3_765 no C2 O1 H2 33.8(5) 3_765 3_765 3_765 no C2 O1 H3 162.4(8) 3_765 3_765 3_765 no C2 O1 H3 33.6(11) 3_765 3_765 3_765 no C2 O1 H4 71.0(2) 3_765 3_765 3_765 no C2 O1 H5 91.4(5) 3_765 3_765 3_765 no C2 O1 H6 83.2(5) 3_765 3_765 3_765 no C2 O1 H6 103.1(6) 3_765 3_765 3_765 no C2 O1 H7 77.1(5) 3_765 3_765 3_765 no C2 O1 H7 151.7(5) 3_765 3_765 3_765 no C3 O1 C4 171.51(9) 1_556 1_556 1_556 ? C3 O1 C4 21.11(4) 1_556 1_556 1_556 ? C3 O1 C5 42.98(7) 1_556 1_556 1_556 ? C3 O1 C6 83.25(7) 1_556 1_556 1_556 ? C3 O1 C6 83.26(7) 1_556 1_556 1_556 ? C3 O1 C7 144.44(9) 1_556 1_556 1_556 ? C3 O1 C8 129.80(8) 1_556 1_556 1_556 ? C3 O1 C8 129.79(8) 1_556 1_556 1_556 ? C3 O1 H1 99.0(13) 1_556 1_556 1_556 no C3 O1 H2 75.5(8) 1_556 1_556 1_556 no C3 O1 H2 75.5(8) 1_556 1_556 1_556 no C3 O1 H3 100.2(14) 1_556 1_556 1_556 no C3 O1 H3 100.2(14) 1_556 1_556 1_556 no C3 O1 H4 8.1(8) 1_556 1_556 1_556 no C3 O1 H5 46.2(13) 1_556 1_556 1_556 no C3 O1 H6 51.2(6) 1_556 1_556 1_556 no C3 O1 H6 51.2(6) 1_556 1_556 1_556 no C3 O1 H7 128.6(6) 1_556 1_556 1_556 no C3 O1 H7 128.6(6) 1_556 1_556 1_556 no C4 O1 C4 167.38(9) . . . ? C4 O1 C5 145.51(9) . . . ? C4 O1 C6 97.13(7) . . . ? C4 O1 C6 97.12(7) . . . ? C4 O1 C7 44.05(7) . . . ? C4 O1 C8 57.77(6) . . . ? C4 O1 C8 57.78(6) . . . ? C4 O1 H1 72.5(13) . . . no C4 O1 H2 106.8(9) . . . no C4 O1 H2 106.8(9) . . . no C4 O1 H3 80.1(14) . . . no C4 O1 H3 80.1(14) . . . no C4 O1 H4 163.4(7) . . . no C4 O1 H5 142.3(13) . . . no C4 O1 H6 137.0(6) . . . no C4 O1 H6 137.0(6) . . . no C4 O1 H7 57.0(6) . . . no C4 O1 H7 57.0(6) . . . no C4 O1 C5 21.87(5) 1_556 1_556 1_556 ? C4 O1 C6 82.58(7) 1_556 1_556 1_556 ? C4 O1 C6 82.59(7) 1_556 1_556 1_556 ? C4 O1 C7 123.33(9) 1_556 1_556 1_556 ? C4 O1 C8 110.72(8) 1_556 1_556 1_556 ? C4 O1 C8 110.71(8) 1_556 1_556 1_556 ? C4 O1 H1 120.1(13) 1_556 1_556 1_556 no C4 O1 H2 70.6(8) 1_556 1_556 1_556 no C4 O1 H2 70.6(8) 1_556 1_556 1_556 no C4 O1 H3 98.9(14) 1_556 1_556 1_556 no C4 O1 H3 98.9(14) 1_556 1_556 1_556 no C4 O1 H4 29.2(7) 1_556 1_556 1_556 no C4 O1 H5 25.1(13) 1_556 1_556 1_556 no C4 O1 H6 31.0(6) 1_556 1_556 1_556 no C4 O1 H6 31.0(6) 1_556 1_556 1_556 no C4 O1 H7 113.9(6) 1_556 1_556 1_556 no C4 O1 H7 113.9(6) 1_556 1_556 1_556 no C5 O1 C6 82.94(7) 1_556 1_556 1_556 ? C5 O1 C6 82.95(7) 1_556 1_556 1_556 ? C5 O1 C7 101.46(9) 1_556 1_556 1_556 ? C5 O1 C8 90.44(8) 1_556 1_556 1_556 ? C5 O1 C8 90.44(8) 1_556 1_556 1_556 ? C5 O1 H1 142.0(13) 1_556 1_556 1_556 no C5 O1 H2 68.3(8) 1_556 1_556 1_556 no C5 O1 H2 68.3(8) 1_556 1_556 1_556 no C5 O1 H3 96.2(13) 1_556 1_556 1_556 no C5 O1 H3 96.2(13) 1_556 1_556 1_556 no C5 O1 H4 51.1(7) 1_556 1_556 1_556 no C5 O1 H5 3.2(13) 1_556 1_556 1_556 no C5 O1 H6 13.2(6) 1_556 1_556 1_556 no C5 O1 H6 13.2(6) 1_556 1_556 1_556 no C5 O1 H7 97.0(5) 1_556 1_556 1_556 no C5 O1 H7 96.9(5) 1_556 1_556 1_556 no C6 O1 C6 165.1(1) 3_665 3_665 3_665 ? C6 O1 C7 93.67(6) 3_665 3_665 3_665 ? C6 O1 C8 113.66(8) 3_665 3_665 3_665 ? C6 O1 C8 71.08(7) 3_665 3_665 3_665 ? C6 O1 H1 94.1(2) 3_665 3_665 3_665 no C6 O1 H2 15.1(7) 3_665 3_665 3_665 no C6 O1 H2 151.3(8) 3_665 3_665 3_665 no C6 O1 H3 17.0(14) 3_665 3_665 3_665 no C6 O1 H3 174.0(9) 3_665 3_665 3_665 no C6 O1 H4 83.76(8) 3_665 3_665 3_665 no C6 O1 H5 83.08(9) 3_665 3_665 3_665 no C6 O1 H6 94.2(5) 3_665 3_665 3_665 no C6 O1 H6 72.4(5) 3_665 3_665 3_665 no C6 O1 H7 130.5(5) 3_665 3_665 3_665 no C6 O1 H7 56.2(5) 3_665 3_665 3_665 no C6 O1 C7 93.66(6) 3_765 3_765 3_765 ? C6 O1 C8 71.08(7) 3_765 3_765 3_765 ? C6 O1 C8 113.65(8) 3_765 3_765 3_765 ? C6 O1 H1 94.1(2) 3_765 3_765 3_765 no C6 O1 H2 151.3(8) 3_765 3_765 3_765 no C6 O1 H2 15.1(7) 3_765 3_765 3_765 no C6 O1 H3 174.0(9) 3_765 3_765 3_765 no C6 O1 H3 17.0(14) 3_765 3_765 3_765 no C6 O1 H4 83.77(8) 3_765 3_765 3_765 no C6 O1 H5 83.09(9) 3_765 3_765 3_765 no C6 O1 H6 72.4(5) 3_765 3_765 3_765 no C6 O1 H6 94.2(5) 3_765 3_765 3_765 no C6 O1 H7 56.2(5) 3_765 3_765 3_765 no C6 O1 H7 130.5(5) 3_765 3_765 3_765 no C7 O1 C8 23.99(5) . . . ? C7 O1 C8 23.99(5) . . . ? C7 O1 H1 116.6(13) . . . no C7 O1 H2 92.6(7) . . . no C7 O1 H2 92.6(7) . . . no C7 O1 H3 80.6(11) . . . no C7 O1 H3 80.6(11) . . . no C7 O1 H4 152.5(7) . . . no C7 O1 H5 98.3(13) . . . no C7 O1 H6 94.0(6) . . . no C7 O1 H6 94.0(6) . . . no C7 O1 H7 37.5(5) . . . no C7 O1 H7 37.5(5) . . . no C8 O1 C8 42.92(9) . . . ? C8 O1 H1 124.6(12) . . . no C8 O1 H2 108.4(6) . . . no C8 O1 H2 68.7(7) . . . no C8 O1 H3 103.0(10) . . . no C8 O1 H3 60.3(10) . . . no C8 O1 H4 136.8(6) . . . no C8 O1 H5 87.5(12) . . . no C8 O1 H6 79.7(6) . . . no C8 O1 H6 87.7(6) . . . no C8 O1 H7 17.5(4) . . . no C8 O1 H7 59.4(5) . . . no C8 O1 H1 124.6(12) 2_755 2_755 2_755 no C8 O1 H2 68.7(7) 2_755 2_755 2_755 no C8 O1 H2 108.4(6) 2_755 2_755 2_755 no C8 O1 H3 60.3(10) 2_755 2_755 2_755 no C8 O1 H3 103.0(10) 2_755 2_755 2_755 no C8 O1 H4 136.8(6) 2_755 2_755 2_755 no C8 O1 H5 87.5(12) 2_755 2_755 2_755 no C8 O1 H6 87.7(6) 2_755 2_755 2_755 no C8 O1 H6 79.7(6) 2_755 2_755 2_755 no C8 O1 H7 59.4(5) 2_755 2_755 2_755 no C8 O1 H7 17.5(4) 2_755 2_755 2_755 no H1 O1 H2 108.0(6) . . . no H1 O1 H2 108.0(6) . . . no H1 O1 H3 90.2(10) . . . no H1 O1 H3 90.2(10) . . . no H1 O1 H4 90.9(16) . . . no H1 O1 H5 145.2(18) . . . no H1 O1 H6 147.6(14) . . . no H1 O1 H6 147.6(14) . . . no H1 O1 H7 112.8(11) . . . no H1 O1 H7 112.8(11) . . . no H2 O1 H2 136.5(15) 4_465 4_465 4_465 no H2 O1 H3 28.6(16) 4_465 4_465 4_465 no H2 O1 H3 161.7(11) 4_465 4_465 4_465 no H2 O1 H4 77.9(8) 4_465 4_465 4_465 no H2 O1 H5 68.3(8) 4_465 4_465 4_465 no H2 O1 H6 79.2(8) 4_465 4_465 4_465 no H2 O1 H6 57.3(10) 4_465 4_465 4_465 no H2 O1 H7 126.0(8) 4_465 4_465 4_465 no H2 O1 H7 57.2(10) 4_465 4_465 4_465 no H2 O1 H3 161.7(11) 3_765 3_765 3_765 no H2 O1 H3 28.7(16) 3_765 3_765 3_765 no H2 O1 H4 77.9(8) 3_765 3_765 3_765 no H2 O1 H5 68.3(8) 3_765 3_765 3_765 no H2 O1 H6 57.3(10) 3_765 3_765 3_765 no H2 O1 H6 79.2(8) 3_765 3_765 3_765 no H2 O1 H7 57.2(10) 3_765 3_765 3_765 no H2 O1 H7 125.9(8) 3_765 3_765 3_765 no H3 O1 H3 159.2(27) 3_665 3_665 3_665 no H3 O1 H4 100.4(14) 3_665 3_665 3_665 no H3 O1 H5 95.8(13) 3_665 3_665 3_665 no H3 O1 H6 105.9(13) 3_665 3_665 3_665 no H3 O1 H6 84.3(13) 3_665 3_665 3_665 no H3 O1 H7 118.1(12) 3_665 3_665 3_665 no H3 O1 H7 43.6(11) 3_665 3_665 3_665 no H3 O1 H4 100.4(14) 3_765 3_765 3_765 no H3 O1 H5 95.8(13) 3_765 3_765 3_765 no H3 O1 H6 84.3(13) 3_765 3_765 3_765 no H3 O1 H6 105.9(13) 3_765 3_765 3_765 no H3 O1 H7 43.6(11) 3_765 3_765 3_765 no H3 O1 H7 118.1(12) 3_765 3_765 3_765 no H4 O1 H5 54.3(14) 1_556 1_556 1_556 no H4 O1 H6 59.1(10) 1_556 1_556 1_556 no H4 O1 H6 59.1(10) 1_556 1_556 1_556 no H4 O1 H7 133.4(7) 1_556 1_556 1_556 no H4 O1 H7 133.4(7) 1_556 1_556 1_556 no H5 O1 H6 11.7(7) 1_556 1_556 1_556 no H5 O1 H6 11.7(7) 1_556 1_556 1_556 no H5 O1 H7 94.4(12) 1_556 1_556 1_556 no H5 O1 H7 94.4(12) 1_556 1_556 1_556 no H6 O1 H6 21.9(11) 1_556 1_556 1_556 no H6 O1 H7 84.5(7) 1_556 1_556 1_556 no H6 O1 H7 97.7(7) 1_556 1_556 1_556 no H6 O1 H7 97.7(7) 2_756 2_756 2_756 no H6 O1 H7 84.5(7) 2_756 2_756 2_756 no H7 O1 H7 74.9(10) . . . no CL1 N1 CL1 145.26(6) . . . ? CL1 N1 O1 104.79(4) . . . ? CL1 N1 N2 89.99(4) . . . ? CL1 N1 C1 99.15(4) . . . ? CL1 N1 C2 81.58(4) . . . ? CL1 N1 C3 75.05(3) . . . ? CL1 N1 C4 72.62(3) . . . ? CL1 N1 C5 75.41(4) . . . ? CL1 N1 C7 99.22(4) . . . ? CL1 N1 C8 70.82(6) . . . ? CL1 N1 C8 127.94(7) . . . ? CL1 N1 C9 81.53(6) . . . ? CL1 N1 C9 117.41(6) . . . ? CL1 N1 H1 91.5(3) . . . no CL1 N1 H3 166.4(9) . . . no CL1 N1 H3 42.3(12) . . . no CL1 N1 H4 73.84(9) . . . no CL1 N1 H5 73.94(11) . . . no CL1 N1 H6 63.3(7) . . . no CL1 N1 H6 92.4(8) . . . no CL1 N1 H7 48.5(6) . . . no CL1 N1 H7 149.2(5) . . . no CL1 N1 O1 104.78(4) 1_455 1_455 1_455 ? CL1 N1 N2 89.99(4) 1_455 1_455 1_455 ? CL1 N1 C1 99.15(4) 1_455 1_455 1_455 ? CL1 N1 C2 81.58(4) 1_455 1_455 1_455 ? CL1 N1 C3 75.06(3) 1_455 1_455 1_455 ? CL1 N1 C4 72.63(3) 1_455 1_455 1_455 ? CL1 N1 C5 75.42(4) 1_455 1_455 1_455 ? CL1 N1 C7 99.21(4) 1_455 1_455 1_455 ? CL1 N1 C8 127.94(7) 1_455 1_455 1_455 ? CL1 N1 C8 70.82(6) 1_455 1_455 1_455 ? CL1 N1 C9 117.41(6) 1_455 1_455 1_455 ? CL1 N1 C9 81.53(6) 1_455 1_455 1_455 ? CL1 N1 H1 91.5(3) 1_455 1_455 1_455 no CL1 N1 H3 42.3(12) 1_455 1_455 1_455 no CL1 N1 H3 166.4(9) 1_455 1_455 1_455 no CL1 N1 H4 73.85(9) 1_455 1_455 1_455 no CL1 N1 H5 73.95(11) 1_455 1_455 1_455 no CL1 N1 H6 92.4(8) 1_455 1_455 1_455 no CL1 N1 H6 63.3(7) 1_455 1_455 1_455 no CL1 N1 H7 149.2(5) 1_455 1_455 1_455 no CL1 N1 H7 48.5(6) 1_455 1_455 1_455 no O1 N1 N2 58.75(9) . . . ? O1 N1 C1 26.54(11) . . . ? O1 N1 C2 88.10(9) . . . ? O1 N1 C3 118.45(10) . . . ? O1 N1 C4 149.2(1) . . . ? O1 N1 C5 178.80(11) . . . ? O1 N1 C7 88.8(2) . . . ? O1 N1 C8 88.10(10) . . . ? O1 N1 C8 88.10(10) . . . ? O1 N1 C9 87.83(9) . . . ? O1 N1 C9 87.83(9) . . . ? O1 N1 H1 53.7(11) . . . no O1 N1 H3 63.8(12) . . . no O1 N1 H3 63.8(12) . . . no O1 N1 H4 127.4(7) . . . no O1 N1 H5 170.9(9) . . . no O1 N1 H6 159.9(8) . . . no O1 N1 H6 159.9(8) . . . no O1 N1 H7 88.9(7) . . . no O1 N1 H7 88.9(7) . . . no N2 N1 C1 32.21(11) . . . ? N2 N1 C2 29.35(7) . . . ? N2 N1 C3 59.70(9) . . . ? N2 N1 C4 90.43(13) . . . ? N2 N1 C5 122.45(11) . . . ? N2 N1 C7 147.6(2) . . . ? N2 N1 C8 136.51(10) . . . ? N2 N1 C8 136.50(10) . . . ? N2 N1 C9 142.20(10) . . . ? N2 N1 C9 142.19(10) . . . ? N2 N1 H1 5.0(10) . . . no N2 N1 H3 77.8(7) . . . no N2 N1 H3 77.8(7) . . . no N2 N1 H4 68.7(7) . . . no N2 N1 H5 112.1(9) . . . no N2 N1 H6 133.0(7) . . . no N2 N1 H6 133.0(7) . . . no N2 N1 H7 120.4(6) . . . no N2 N1 H7 120.4(6) . . . no C1 N1 C2 61.56(12) . . . ? C1 N1 C3 91.9(1) . . . ? C1 N1 C4 122.6(2) . . . ? C1 N1 C5 154.7(2) . . . ? C1 N1 C7 115.4(2) . . . ? C1 N1 C8 111.0(1) . . . ? C1 N1 C8 111.0(1) . . . ? C1 N1 C9 112.9(1) . . . ? C1 N1 C9 112.9(1) . . . ? C1 N1 H1 27.2(11) . . . no C1 N1 H3 67.3(10) . . . no C1 N1 H3 67.3(10) . . . no C1 N1 H4 100.9(7) . . . no C1 N1 H5 144.3(9) . . . no C1 N1 H6 160.4(7) . . . no C1 N1 H6 160.4(7) . . . no C1 N1 H7 104.6(7) . . . no C1 N1 H7 104.6(7) . . . no C2 N1 C3 30.35(8) . . . ? C2 N1 C4 61.08(11) . . . ? C2 N1 C5 93.10(9) . . . ? C2 N1 C7 176.9(2) . . . ? C2 N1 C8 150.12(6) . . . ? C2 N1 C8 150.12(6) . . . ? C2 N1 C9 160.99(5) . . . ? C2 N1 C9 160.99(5) . . . ? C2 N1 H1 34.4(11) . . . no C2 N1 H3 90.3(8) . . . no C2 N1 H3 90.3(8) . . . no C2 N1 H4 39.3(7) . . . no C2 N1 H5 82.8(9) . . . no C2 N1 H6 105.0(8) . . . no C2 N1 H6 105.0(8) . . . no C2 N1 H7 127.0(5) . . . no C2 N1 H7 127.0(5) . . . no C3 N1 C4 30.72(10) . . . ? C3 N1 C5 62.75(10) . . . ? C3 N1 C7 152.7(2) . . . ? C3 N1 C8 141.22(9) . . . ? C3 N1 C8 141.22(9) . . . ? C3 N1 C9 148.31(9) . . . ? C3 N1 C9 148.31(9) . . . ? C3 N1 H1 64.8(11) . . . no C3 N1 H3 103.2(10) . . . no C3 N1 H3 103.2(10) . . . no C3 N1 H4 9.0(7) . . . no C3 N1 H5 52.4(9) . . . no C3 N1 H6 75.7(8) . . . no C3 N1 H6 75.7(8) . . . no C3 N1 H7 122.7(6) . . . no C3 N1 H7 122.7(6) . . . no C4 N1 C5 32.02(11) . . . ? C4 N1 C7 122.0(2) . . . ? C4 N1 C8 118.27(13) . . . ? C4 N1 C8 118.27(13) . . . ? C4 N1 C9 121.19(13) . . . ? C4 N1 C9 121.19(13) . . . ? C4 N1 H1 95.5(11) . . . no C4 N1 H3 113.0(12) . . . no C4 N1 H3 112.9(12) . . . no C4 N1 H4 21.7(7) . . . no C4 N1 H5 21.7(9) . . . no C4 N1 H6 46.4(8) . . . no C4 N1 H6 46.4(8) . . . no C4 N1 H7 109.0(7) . . . no C4 N1 H7 109.0(7) . . . no C5 N1 C7 90.0(2) . . . ? C5 N1 C8 90.86(11) . . . ? C5 N1 C8 90.86(11) . . . ? C5 N1 C9 91.04(10) . . . ? C5 N1 C9 91.04(10) . . . ? C5 N1 H1 127.5(11) . . . no C5 N1 H3 116.2(12) . . . no C5 N1 H3 116.2(12) . . . no C5 N1 H4 53.8(7) . . . no C5 N1 H5 10.3(9) . . . no C5 N1 H6 19.3(8) . . . no C5 N1 H6 19.4(8) . . . no C5 N1 H7 90.4(7) . . . no C5 N1 H7 90.4(7) . . . no C7 N1 C8 29.64(6) . . . ? C7 N1 C8 29.64(6) . . . ? C7 N1 C9 18.60(5) . . . ? C7 N1 C9 18.60(5) . . . ? C7 N1 H1 142.5(11) . . . no C7 N1 H3 88.3(8) . . . no C7 N1 H3 88.3(8) . . . no C7 N1 H4 143.7(7) . . . no C7 N1 H5 100.3(9) . . . no C7 N1 H6 77.9(8) . . . no C7 N1 H6 77.9(8) . . . no C7 N1 H7 52.9(5) . . . no C7 N1 H7 52.9(5) . . . no C8 N1 C8 59.24(11) . . . ? C8 N1 C9 11.06(7) . . . ? C8 N1 C9 48.18(8) . . . ? C8 N1 H1 132.9(8) . . . no C8 N1 H3 114.2(9) . . . no C8 N1 H3 61.6(7) . . . no C8 N1 H4 135.2(5) . . . no C8 N1 H5 99.8(8) . . . no C8 N1 H6 72.9(8) . . . no C8 N1 H6 87.7(7) . . . no C8 N1 H7 23.2(5) . . . no C8 N1 H7 82.5(5) . . . no C8 N1 C9 48.18(8) 2_755 2_755 2_755 ? C8 N1 C9 11.06(7) 2_755 2_755 2_755 ? C8 N1 H1 132.9(8) 2_755 2_755 2_755 no C8 N1 H3 61.6(7) 2_755 2_755 2_755 no C8 N1 H3 114.2(9) 2_755 2_755 2_755 no C8 N1 H4 135.2(5) 2_755 2_755 2_755 no C8 N1 H5 99.8(8) 2_755 2_755 2_755 no C8 N1 H6 87.7(7) 2_755 2_755 2_755 no C8 N1 H6 72.9(8) 2_755 2_755 2_755 no C8 N1 H7 82.5(5) 2_755 2_755 2_755 no C8 N1 H7 23.2(5) 2_755 2_755 2_755 no C9 N1 C9 37.12(10) . . . ? C9 N1 H1 137.8(9) . . . no C9 N1 H3 104.4(9) . . . no C9 N1 H3 71.2(7) . . . no C9 N1 H4 140.8(6) . . . no C9 N1 H5 100.8(8) . . . no C9 N1 H6 74.8(8) . . . no C9 N1 H6 84.3(7) . . . no C9 N1 H7 34.3(5) . . . no C9 N1 H7 71.4(5) . . . no C9 N1 H1 137.8(9) 2_755 2_755 2_755 no C9 N1 H3 71.2(7) 2_755 2_755 2_755 no C9 N1 H3 104.4(9) 2_755 2_755 2_755 no C9 N1 H4 140.8(6) 2_755 2_755 2_755 no C9 N1 H5 100.8(8) 2_755 2_755 2_755 no C9 N1 H6 84.3(7) 2_755 2_755 2_755 no C9 N1 H6 74.8(8) 2_755 2_755 2_755 no C9 N1 H7 71.4(5) 2_755 2_755 2_755 no C9 N1 H7 34.3(5) 2_755 2_755 2_755 no H1 N1 H3 75.8(9) . . . no H1 N1 H3 75.8(9) . . . no H1 N1 H4 73.7(14) . . . no H1 N1 H5 117.2(13) . . . no H1 N1 H6 137.7(13) . . . no H1 N1 H6 137.7(13) . . . no H1 N1 H7 118.4(7) . . . no H1 N1 H7 118.4(7) . . . no H3 N1 H3 127.5(23) 3_665 3_665 3_665 no H3 N1 H4 106.6(11) 3_665 3_665 3_665 no H3 N1 H5 116.1(12) 3_665 3_665 3_665 no H3 N1 H6 129.9(13) 3_665 3_665 3_665 no H3 N1 H6 100.3(13) 3_665 3_665 3_665 no H3 N1 H7 134.0(11) 3_665 3_665 3_665 no H3 N1 H7 42.6(9) 3_665 3_665 3_665 no H3 N1 H4 106.6(11) 3_765 3_765 3_765 no H3 N1 H5 116.1(12) 3_765 3_765 3_765 no H3 N1 H6 100.3(13) 3_765 3_765 3_765 no H3 N1 H6 129.9(13) 3_765 3_765 3_765 no H3 N1 H7 42.6(9) 3_765 3_765 3_765 no H3 N1 H7 134.0(11) 3_765 3_765 3_765 no H4 N1 H5 43.4(11) . . . no H4 N1 H6 67.1(10) . . . no H4 N1 H6 67.1(10) . . . no H4 N1 H7 119.4(8) . . . no H4 N1 H7 119.4(8) . . . no H5 N1 H6 27.0(10) . . . no H5 N1 H6 27.0(10) . . . no H5 N1 H7 96.6(9) . . . no H5 N1 H7 96.6(9) . . . no H6 N1 H6 29.9(15) . . . no H6 N1 H7 71.0(11) . . . no H6 N1 H7 94.9(10) . . . no H6 N1 H7 94.9(10) 2_755 2_755 2_755 no H6 N1 H7 71.0(11) 2_755 2_755 2_755 no H7 N1 H7 105.7(11) . . . no CL1 N2 O1 90.04(9) 3_765 3_765 3_765 ? CL1 N2 N1 149.71(10) 3_765 3_765 3_765 ? CL1 N2 C1 116.8(2) 3_765 3_765 3_765 ? CL1 N2 C2 118.8(1) 3_765 3_765 3_765 ? CL1 N2 C3 149.58(10) 3_765 3_765 3_765 ? CL1 N2 C3 65.57(4) 3_765 3_765 3_765 ? CL1 N2 C3 65.58(4) 3_765 3_765 3_765 ? CL1 N2 C4 179.66(9) 3_765 3_765 3_765 ? CL1 N2 C6 84.85(10) 3_765 3_765 3_765 ? CL1 N2 C7 137.37(8) 3_765 3_765 3_765 ? CL1 N2 H1 14.2(32) 3_765 3_765 3_765 no CL1 N2 H2 70.8(8) 3_765 3_765 3_765 no CL1 N2 H2 70.8(8) 3_765 3_765 3_765 no CL1 N2 H3 95.9(11) 3_765 3_765 3_765 no CL1 N2 H4 142.3(6) 3_765 3_765 3_765 no CL1 N2 H4 76.3(6) 3_765 3_765 3_765 no CL1 N2 H4 76.3(6) 3_765 3_765 3_765 no O1 N2 N1 59.67(9) . . . ? O1 N2 C1 26.79(13) . . . ? O1 N2 C2 151.2(2) . . . ? O1 N2 C3 120.38(11) . . . ? O1 N2 C3 82.91(6) . . . ? O1 N2 C3 82.91(6) . . . ? O1 N2 C4 89.62(9) . . . ? O1 N2 C6 174.9(2) . . . ? O1 N2 C7 47.34(8) . . . ? O1 N2 H1 104.2(32) . . . no O1 N2 H2 154.1(8) . . . no O1 N2 H2 154.1(8) . . . no O1 N2 H3 174.0(11) . . . no O1 N2 H4 127.7(6) . . . no O1 N2 H4 91.0(7) . . . no O1 N2 H4 91.1(7) . . . no N1 N2 C1 32.88(12) . . . ? N1 N2 C2 91.5(2) . . . ? N1 N2 C3 60.71(9) . . . ? N1 N2 C3 107.14(5) . . . ? N1 N2 C3 107.13(5) . . . ? N1 N2 C4 29.95(7) . . . ? N1 N2 C6 125.45(13) . . . ? N1 N2 C7 12.33(7) . . . ? N1 N2 H1 163.9(32) . . . no N1 N2 H2 137.5(8) . . . no N1 N2 H2 137.5(8) . . . no N1 N2 H3 114.4(11) . . . no N1 N2 H4 68.0(6) . . . no N1 N2 H4 102.3(6) . . . no N1 N2 H4 102.3(6) . . . no C1 N2 C2 124.4(2) . . . ? C1 N2 C3 93.6(2) . . . ? C1 N2 C3 94.37(8) . . . ? C1 N2 C3 94.37(8) . . . ? C1 N2 C4 62.83(13) . . . ? C1 N2 C6 158.3(2) . . . ? C1 N2 C7 20.55(12) . . . ? C1 N2 H1 131.0(32) . . . no C1 N2 H2 162.0(7) . . . no C1 N2 H2 162.0(7) . . . no C1 N2 H3 147.2(11) . . . no C1 N2 H4 100.9(6) . . . no C1 N2 H4 97.1(6) . . . no C1 N2 H4 97.1(6) . . . no C2 N2 C3 30.81(12) . . . ? C2 N2 C3 107.91(6) . . . ? C2 N2 C3 107.90(6) . . . ? C2 N2 C4 61.56(13) . . . ? C2 N2 C6 33.9(1) . . . ? C2 N2 C7 103.9(1) . . . ? C2 N2 H1 104.6(32) . . . no C2 N2 H2 50.9(9) . . . no C2 N2 H2 51.0(9) . . . no C2 N2 H3 22.8(11) . . . no C2 N2 H4 23.5(6) . . . no C2 N2 H4 95.6(7) . . . no C2 N2 H4 95.6(7) . . . no C3 N2 C3 114.79(5) . . . ? C3 N2 C3 114.78(5) . . . ? C3 N2 C4 30.76(7) . . . ? C3 N2 C6 64.74(11) . . . ? C3 N2 C7 73.04(8) . . . ? C3 N2 H1 135.4(32) . . . no C3 N2 H2 80.1(8) . . . no C3 N2 H2 80.1(8) . . . no C3 N2 H3 53.6(11) . . . no C3 N2 H4 7.3(6) . . . no C3 N2 H4 101.2(7) . . . no C3 N2 H4 101.2(7) . . . no C3 N2 C3 128.87(8) 3_665 3_665 3_665 ? C3 N2 C4 114.38(4) 3_665 3_665 3_665 ? C3 N2 C6 94.94(6) 3_665 3_665 3_665 ? C3 N2 C7 102.74(5) 3_665 3_665 3_665 ? C3 N2 H1 68.2(8) 3_665 3_665 3_665 no C3 N2 H2 103.6(7) 3_665 3_665 3_665 no C3 N2 H2 73.5(8) 3_665 3_665 3_665 no C3 N2 H3 99.5(5) 3_665 3_665 3_665 no C3 N2 H4 113.76(12) 3_665 3_665 3_665 no C3 N2 H4 13.6(7) 3_665 3_665 3_665 no C3 N2 H4 141.3(7) 3_665 3_665 3_665 no C3 N2 C4 114.37(4) 3_765 3_765 3_765 ? C3 N2 C6 94.93(6) 3_765 3_765 3_765 ? C3 N2 C7 102.74(5) 3_765 3_765 3_765 ? C3 N2 H1 68.3(8) 3_765 3_765 3_765 no C3 N2 H2 73.5(8) 3_765 3_765 3_765 no C3 N2 H2 103.6(7) 3_765 3_765 3_765 no C3 N2 H3 99.5(5) 3_765 3_765 3_765 no C3 N2 H4 113.75(12) 3_765 3_765 3_765 no C3 N2 H4 141.3(7) 3_765 3_765 3_765 no C3 N2 H4 13.6(7) 3_765 3_765 3_765 no C4 N2 C6 95.49(12) . . . ? C4 N2 C7 42.29(6) . . . ? C4 N2 H1 166.2(32) . . . no C4 N2 H2 109.5(8) . . . no C4 N2 H2 109.5(8) . . . no C4 N2 H3 84.4(11) . . . no C4 N2 H4 38.0(6) . . . no C4 N2 H4 103.7(6) . . . no C4 N2 H4 103.7(6) . . . no C6 N2 C7 137.78(13) . . . ? C6 N2 H1 70.7(32) . . . no C6 N2 H2 22.3(8) . . . no C6 N2 H2 22.3(8) . . . no C6 N2 H3 11.1(11) . . . no C6 N2 H4 57.5(6) . . . no C6 N2 H4 87.8(7) . . . no C6 N2 H4 87.7(7) . . . no C7 N2 H1 151.5(32) . . . no C7 N2 H2 148.3(7) . . . no C7 N2 H2 148.3(7) . . . no C7 N2 H3 126.7(11) . . . no C7 N2 H4 80.3(6) . . . no C7 N2 H4 100.7(6) . . . no C7 N2 H4 100.7(6) . . . no H1 N2 H2 57.4(31) . . . no H1 N2 H2 57.4(31) . . . no H1 N2 H3 81.8(34) . . . no H1 N2 H4 128.1(33) . . . no H1 N2 H4 76.5(6) . . . no H1 N2 H4 76.5(6) . . . no H2 N2 H2 33.4(14) . . . no H2 N2 H3 30.6(12) . . . no H2 N2 H4 73.2(10) . . . no H2 N2 H4 100.7(9) . . . no H2 N2 H4 68.1(10) . . . no H2 N2 H3 30.6(12) 2_755 2_755 2_755 no H2 N2 H4 73.2(10) 2_755 2_755 2_755 no H2 N2 H4 68.1(10) 2_755 2_755 2_755 no H2 N2 H4 100.7(9) 2_755 2_755 2_755 no H3 N2 H4 46.4(12) . . . no H3 N2 H4 90.4(7) . . . no H3 N2 H4 90.4(7) . . . no H4 N2 H4 100.1(7) . . . no H4 N2 H4 100.1(7) . . . no H4 N2 H4 152.6(12) 3_665 3_665 3_665 no CL1 C1 O1 78.0(2) 3_765 3_765 3_765 ? CL1 C1 N1 159.5(1) 3_765 3_765 3_765 ? CL1 C1 N2 44.60(12) 3_765 3_765 3_765 ? CL1 C1 C2 71.96(7) 3_765 3_765 3_765 ? CL1 C1 C3 101.53(7) 3_765 3_765 3_765 ? CL1 C1 C4 131.35(8) 3_765 3_765 3_765 ? CL1 C1 C5 143.36(7) 3_765 3_765 3_765 ? CL1 C1 C6 58.42(7) 3_765 3_765 3_765 ? CL1 C1 C6 84.38(5) 3_765 3_765 3_765 ? CL1 C1 C6 84.39(5) 3_765 3_765 3_765 ? CL1 C1 C7 167.48(11) 3_765 3_765 3_765 ? CL1 C1 C8 150.72(7) 3_765 3_765 3_765 ? CL1 C1 C8 150.72(7) 3_765 3_765 3_765 ? CL1 C1 H1 23.3(16) 3_765 3_765 3_765 no CL1 C1 H2 49.9(6) 3_765 3_765 3_765 no CL1 C1 H2 88.0(5) 3_765 3_765 3_765 no CL1 C1 H2 49.9(6) 3_765 3_765 3_765 no CL1 C1 H2 88.0(5) 3_765 3_765 3_765 no CL1 C1 H3 93.7(10) 3_765 3_765 3_765 no CL1 C1 H3 93.7(10) 3_765 3_765 3_765 no CL1 C1 H4 102.3(6) 3_765 3_765 3_765 no CL1 C1 H4 52.6(5) 3_765 3_765 3_765 no CL1 C1 H4 62.9(5) 3_765 3_765 3_765 no CL1 C1 H4 62.9(5) 3_765 3_765 3_765 no CL1 C1 H5 89.9(8) 3_765 3_765 3_765 no CL1 C1 H7 138.0(5) 3_765 3_765 3_765 no CL1 C1 H7 138.0(5) 3_765 3_765 3_765 no O1 C1 N1 122.5(2) . . . ? O1 C1 N2 122.6(2) . . . ? O1 C1 C2 149.9(2) . . . ? O1 C1 C3 179.5(2) . . . ? O1 C1 C4 150.7(2) . . . ? O1 C1 C5 138.7(2) . . . ? O1 C1 C6 136.4(2) . . . ? O1 C1 C6 64.00(6) . . . ? O1 C1 C6 64.01(6) . . . ? O1 C1 C7 89.5(2) . . . ? O1 C1 C8 82.8(2) . . . ? O1 C1 C8 82.8(2) . . . ? O1 C1 H1 101.3(16) . . . no O1 C1 H2 126.2(6) . . . no O1 C1 H2 50.3(7) . . . no O1 C1 H2 126.2(6) . . . no O1 C1 H2 50.3(7) . . . no O1 C1 H3 78.0(14) . . . no O1 C1 H3 78.1(14) . . . no O1 C1 H4 179.7(6) . . . no O1 C1 H4 25.4(5) . . . no O1 C1 H4 95.5(6) . . . no O1 C1 H4 95.5(6) . . . no O1 C1 H5 11.9(8) . . . no O1 C1 H7 88.1(6) . . . no O1 C1 H7 88.1(6) . . . no N1 C1 N2 114.9(2) . . . ? N1 C1 C2 87.5(1) . . . ? N1 C1 C3 57.97(12) . . . ? N1 C1 C4 28.15(10) . . . ? N1 C1 C5 16.15(10) . . . ? N1 C1 C6 101.1(1) . . . ? N1 C1 C6 103.96(7) . . . ? N1 C1 C6 103.96(7) . . . ? N1 C1 C7 33.01(11) . . . ? N1 C1 C8 45.01(10) . . . ? N1 C1 C8 45.02(10) . . . ? N1 C1 H1 136.2(16) . . . no N1 C1 H2 110.1(6) . . . no N1 C1 H2 105.0(6) . . . no N1 C1 H2 110.1(6) . . . no N1 C1 H2 105.0(6) . . . no N1 C1 H3 91.1(12) . . . no N1 C1 H3 91.0(12) . . . no N1 C1 H4 57.2(6) . . . no N1 C1 H4 147.9(5) . . . no N1 C1 H4 111.0(6) . . . no N1 C1 H4 111.0(6) . . . no N1 C1 H5 110.6(8) . . . no N1 C1 H7 51.1(6) . . . no N1 C1 H7 51.1(6) . . . no N2 C1 C2 27.37(12) . . . ? N2 C1 C3 56.9(1) . . . ? N2 C1 C4 86.8(2) . . . ? N2 C1 C5 98.8(2) . . . ? N2 C1 C6 13.82(13) . . . ? N2 C1 C6 103.31(7) . . . ? N2 C1 C6 103.31(7) . . . ? N2 C1 C7 147.9(2) . . . ? N2 C1 C8 147.35(13) . . . ? N2 C1 C8 147.35(13) . . . ? N2 C1 H1 21.3(16) . . . no N2 C1 H2 11.9(4) . . . no N2 C1 H2 115.4(4) . . . no N2 C1 H2 11.9(4) . . . no N2 C1 H2 115.4(4) . . . no N2 C1 H3 101.8(8) . . . no N2 C1 H3 101.8(8) . . . no N2 C1 H4 57.7(6) . . . no N2 C1 H4 97.2(5) . . . no N2 C1 H4 62.6(5) . . . no N2 C1 H4 62.6(5) . . . no N2 C1 H5 134.5(8) . . . no N2 C1 H7 131.6(5) . . . no N2 C1 H7 131.6(5) . . . no C2 C1 C3 29.57(7) . . . ? C2 C1 C4 59.39(8) . . . ? C2 C1 C5 71.39(8) . . . ? C2 C1 C6 13.55(8) . . . ? C2 C1 C6 112.08(6) . . . ? C2 C1 C6 112.08(6) . . . ? C2 C1 C7 120.56(12) . . . ? C2 C1 C8 124.69(10) . . . ? C2 C1 C8 124.70(10) . . . ? C2 C1 H1 48.6(16) . . . no C2 C1 H2 25.4(6) . . . no C2 C1 H2 127.1(5) . . . no C2 C1 H2 25.4(6) . . . no C2 C1 H2 127.1(5) . . . no C2 C1 H3 103.6(11) . . . no C2 C1 H3 103.6(11) . . . no C2 C1 H4 30.3(6) . . . no C2 C1 H4 124.6(5) . . . no C2 C1 H4 71.0(6) . . . no C2 C1 H4 71.0(6) . . . no C2 C1 H5 161.8(8) . . . no C2 C1 H7 114.4(6) . . . no C2 C1 H7 114.4(6) . . . no C3 C1 C4 29.82(6) . . . ? C3 C1 C5 41.82(7) . . . ? C3 C1 C6 43.12(8) . . . ? C3 C1 C6 115.99(6) . . . ? C3 C1 C6 115.98(6) . . . ? C3 C1 C7 90.98(11) . . . ? C3 C1 C8 97.69(9) . . . ? C3 C1 C8 97.69(9) . . . ? C3 C1 H1 78.2(16) . . . no C3 C1 H2 53.4(6) . . . no C3 C1 H2 129.8(7) . . . no C3 C1 H2 53.4(6) . . . no C3 C1 H2 129.8(7) . . . no C3 C1 H3 102.0(14) . . . no C3 C1 H3 102.0(14) . . . no C3 C1 H4 0.7(6) . . . no C3 C1 H4 154.2(5) . . . no C3 C1 H4 84.3(6) . . . no C3 C1 H4 84.3(6) . . . no C3 C1 H5 168.6(8) . . . no C3 C1 H7 92.3(6) . . . no C3 C1 H7 92.3(6) . . . no C4 C1 C5 12.00(6) . . . ? C4 C1 C6 72.94(9) . . . ? C4 C1 C6 112.67(6) . . . ? C4 C1 C6 112.66(6) . . . ? C4 C1 C7 61.17(9) . . . ? C4 C1 C8 70.11(8) . . . ? C4 C1 C8 70.12(8) . . . ? C4 C1 H1 108.0(16) . . . no C4 C1 H2 82.5(6) . . . no C4 C1 H2 120.5(6) . . . no C4 C1 H2 82.5(6) . . . no C4 C1 H2 120.5(6) . . . no C4 C1 H3 97.3(14) . . . no C4 C1 H3 97.3(14) . . . no C4 C1 H4 29.1(6) . . . no C4 C1 H4 176.0(5) . . . no C4 C1 H4 98.9(6) . . . no C4 C1 H4 98.9(6) . . . no C4 C1 H5 138.8(8) . . . no C4 C1 H7 69.7(6) . . . no C4 C1 H7 69.8(6) . . . no C5 C1 C6 84.94(8) . . . ? C5 C1 C6 109.49(6) . . . ? C5 C1 C6 109.48(6) . . . ? C5 C1 C7 49.16(8) . . . ? C5 C1 C8 59.19(8) . . . ? C5 C1 C8 59.20(8) . . . ? C5 C1 H1 120.0(16) . . . no C5 C1 H2 94.3(6) . . . no C5 C1 H2 114.4(6) . . . no C5 C1 H2 94.3(6) . . . no C5 C1 H2 114.4(6) . . . no C5 C1 H3 94.7(13) . . . no C5 C1 H3 94.7(13) . . . no C5 C1 H4 41.1(6) . . . no C5 C1 H4 164.0(5) . . . no C5 C1 H4 104.4(6) . . . no C5 C1 H4 104.4(6) . . . no C5 C1 H5 126.8(8) . . . no C5 C1 H7 61.2(6) . . . no C5 C1 H7 61.2(6) . . . no C6 C1 C6 108.22(4) . . . ? C6 C1 C6 108.22(4) . . . ? C6 C1 C7 134.10(12) . . . ? C6 C1 C8 136.45(9) . . . ? C6 C1 C8 136.46(9) . . . ? C6 C1 H1 35.1(16) . . . no C6 C1 H2 14.5(5) . . . no C6 C1 H2 122.1(4) . . . no C6 C1 H2 14.5(5) . . . no C6 C1 H2 122.1(4) . . . no C6 C1 H3 103.1(10) . . . no C6 C1 H3 103.1(10) . . . no C6 C1 H4 43.9(5) . . . no C6 C1 H4 111.0(5) . . . no C6 C1 H4 66.2(5) . . . no C6 C1 H4 66.2(5) . . . no C6 C1 H5 148.3(8) . . . no C6 C1 H7 123.6(5) . . . no C6 C1 H7 123.6(5) . . . no C6 C1 C6 128.01(12) 3_665 3_665 3_665 ? C6 C1 C7 90.17(6) 3_665 3_665 3_665 ? C6 C1 C8 106.71(7) 3_665 3_665 3_665 ? C6 C1 C8 67.32(6) 3_665 3_665 3_665 ? C6 C1 H1 94.5(7) 3_665 3_665 3_665 no C6 C1 H2 115.2(5) 3_665 3_665 3_665 no C6 C1 H2 15.2(6) 3_665 3_665 3_665 no C6 C1 H2 94.6(5) 3_665 3_665 3_665 no C6 C1 H2 113.9(6) 3_665 3_665 3_665 no C6 C1 H3 15.5(14) 3_665 3_665 3_665 no C6 C1 H3 141.6(13) 3_665 3_665 3_665 no C6 C1 H4 116.00(6) 3_665 3_665 3_665 no C6 C1 H4 66.48(12) 3_665 3_665 3_665 no C6 C1 H4 42.1(5) 3_665 3_665 3_665 no C6 C1 H4 145.0(6) 3_665 3_665 3_665 no C6 C1 H5 64.69(11) 3_665 3_665 3_665 no C6 C1 H7 124.5(5) 3_665 3_665 3_665 no C6 C1 H7 54.1(6) 3_665 3_665 3_665 no C6 C1 C7 90.17(6) 3_765 3_765 3_765 ? C6 C1 C8 67.32(6) 3_765 3_765 3_765 ? C6 C1 C8 106.71(7) 3_765 3_765 3_765 ? C6 C1 H1 94.5(7) 3_765 3_765 3_765 no C6 C1 H2 94.6(5) 3_765 3_765 3_765 no C6 C1 H2 114.0(6) 3_765 3_765 3_765 no C6 C1 H2 115.2(5) 3_765 3_765 3_765 no C6 C1 H2 15.2(6) 3_765 3_765 3_765 no C6 C1 H3 141.6(13) 3_765 3_765 3_765 no C6 C1 H3 15.5(14) 3_765 3_765 3_765 no C6 C1 H4 115.99(6) 3_765 3_765 3_765 no C6 C1 H4 66.49(12) 3_765 3_765 3_765 no C6 C1 H4 145.0(6) 3_765 3_765 3_765 no C6 C1 H4 42.1(5) 3_765 3_765 3_765 no C6 C1 H5 64.70(11) 3_765 3_765 3_765 no C6 C1 H7 54.1(6) 3_765 3_765 3_765 no C6 C1 H7 124.5(5) 3_765 3_765 3_765 no C7 C1 C8 23.12(5) . . . ? C7 C1 C8 23.12(5) . . . ? C7 C1 H1 169.2(16) . . . no C7 C1 H2 142.1(5) . . . no C7 C1 H2 83.9(4) . . . no C7 C1 H2 142.1(5) . . . no C7 C1 H2 83.9(4) . . . no C7 C1 H3 83.6(9) . . . no C7 C1 H3 83.6(9) . . . no C7 C1 H4 90.2(6) . . . no C7 C1 H4 114.9(5) . . . no C7 C1 H4 119.1(5) . . . no C7 C1 H4 119.1(5) . . . no C7 C1 H5 77.6(8) . . . no C7 C1 H7 39.9(5) . . . no C7 C1 H7 39.9(5) . . . no C8 C1 C8 43.98(9) . . . ? C8 C1 H1 157.7(2) . . . no C8 C1 H2 136.3(5) . . . no C8 C1 H2 96.5(4) . . . no C8 C1 H2 150.1(6) . . . no C8 C1 H2 62.7(5) . . . no C8 C1 H3 103.7(8) . . . no C8 C1 H3 60.6(8) . . . no C8 C1 H4 97.0(5) . . . no C8 C1 H4 106.2(5) . . . no C8 C1 H4 141.6(4) . . . no C8 C1 H4 97.6(4) . . . no C8 C1 H5 71.8(8) . . . no C8 C1 H7 18.4(4) . . . no C8 C1 H7 62.0(5) . . . no C8 C1 H1 157.7(2) 2_755 2_755 2_755 no C8 C1 H2 150.1(6) 2_755 2_755 2_755 no C8 C1 H2 62.7(5) 2_755 2_755 2_755 no C8 C1 H2 136.3(5) 2_755 2_755 2_755 no C8 C1 H2 96.5(4) 2_755 2_755 2_755 no C8 C1 H3 60.6(8) 2_755 2_755 2_755 no C8 C1 H3 103.7(8) 2_755 2_755 2_755 no C8 C1 H4 97.0(5) 2_755 2_755 2_755 no C8 C1 H4 106.2(5) 2_755 2_755 2_755 no C8 C1 H4 97.7(4) 2_755 2_755 2_755 no C8 C1 H4 141.6(4) 2_755 2_755 2_755 no C8 C1 H5 71.8(8) 2_755 2_755 2_755 no C8 C1 H7 62.0(5) 2_755 2_755 2_755 no C8 C1 H7 18.4(4) 2_755 2_755 2_755 no H1 C1 H2 27.8(16) . . . no H1 C1 H2 102.9(11) . . . no H1 C1 H2 27.8(16) . . . no H1 C1 H2 102.9(11) . . . no H1 C1 H3 98.6(9) . . . no H1 C1 H3 98.6(9) . . . no H1 C1 H4 79.0(17) . . . no H1 C1 H4 76.0(17) . . . no H1 C1 H4 60.3(4) . . . no H1 C1 H4 60.3(4) . . . no H1 C1 H5 113.2(19) . . . no H1 C1 H7 139.3(5) . . . no H1 C1 H7 139.3(5) . . . no H2 C1 H2 127.0(6) . . . no H2 C1 H2 22.1(9) . . . no H2 C1 H2 108.0(4) . . . no H2 C1 H3 113.3(11) . . . no H2 C1 H3 91.3(9) . . . no H2 C1 H4 54.1(8) . . . no H2 C1 H4 101.4(8) . . . no H2 C1 H4 74.3(7) . . . no H2 C1 H4 52.8(7) . . . no H2 C1 H5 137.6(10) . . . no H2 C1 H7 119.9(7) . . . no H2 C1 H7 138.1(7) . . . no H2 C1 H2 108.0(4) 4_465 4_465 4_465 no H2 C1 H2 99.4(13) 4_465 4_465 4_465 no H2 C1 H3 27.8(15) 4_465 4_465 4_465 no H2 C1 H3 126.7(14) 4_465 4_465 4_465 no H2 C1 H4 129.7(7) 4_465 4_465 4_465 no H2 C1 H4 57.7(7) 4_465 4_465 4_465 no H2 C1 H4 56.4(8) 4_465 4_465 4_465 no H2 C1 H4 140.6(8) 4_465 4_465 4_465 no H2 C1 H5 49.7(6) 4_465 4_465 4_465 no H2 C1 H7 113.0(7) 4_465 4_465 4_465 no H2 C1 H7 54.0(9) 4_465 4_465 4_465 no H2 C1 H2 127.0(6) 2_755 2_755 2_755 no H2 C1 H3 91.3(9) 2_755 2_755 2_755 no H2 C1 H3 113.3(11) 2_755 2_755 2_755 no H2 C1 H4 54.1(8) 2_755 2_755 2_755 no H2 C1 H4 101.4(8) 2_755 2_755 2_755 no H2 C1 H4 52.8(7) 2_755 2_755 2_755 no H2 C1 H4 74.3(7) 2_755 2_755 2_755 no H2 C1 H5 137.6(10) 2_755 2_755 2_755 no H2 C1 H7 138.1(7) 2_755 2_755 2_755 no H2 C1 H7 119.9(7) 2_755 2_755 2_755 no H2 C1 H3 126.7(14) 3_765 3_765 3_765 no H2 C1 H3 27.8(15) 3_765 3_765 3_765 no H2 C1 H4 129.7(7) 3_765 3_765 3_765 no H2 C1 H4 57.7(7) 3_765 3_765 3_765 no H2 C1 H4 140.6(8) 3_765 3_765 3_765 no H2 C1 H4 56.4(8) 3_765 3_765 3_765 no H2 C1 H5 49.8(6) 3_765 3_765 3_765 no H2 C1 H7 54.0(9) 3_765 3_765 3_765 no H2 C1 H7 113.0(7) 3_765 3_765 3_765 no H3 C1 H3 152.9(23) 3_665 3_665 3_665 no H3 C1 H4 101.9(14) 3_665 3_665 3_665 no H3 C1 H4 82.0(14) 3_665 3_665 3_665 no H3 C1 H4 39.5(9) 3_665 3_665 3_665 no H3 C1 H4 156.6(12) 3_665 3_665 3_665 no H3 C1 H5 77.0(13) 3_665 3_665 3_665 no H3 C1 H7 122.1(9) 3_665 3_665 3_665 no H3 C1 H7 44.4(11) 3_665 3_665 3_665 no H3 C1 H4 101.9(14) 3_765 3_765 3_765 no H3 C1 H4 82.0(14) 3_765 3_765 3_765 no H3 C1 H4 156.6(12) 3_765 3_765 3_765 no H3 C1 H4 39.5(9) 3_765 3_765 3_765 no H3 C1 H5 77.0(13) 3_765 3_765 3_765 no H3 C1 H7 44.4(11) 3_765 3_765 3_765 no H3 C1 H7 122.1(9) 3_765 3_765 3_765 no H4 C1 H4 154.9(10) . . . no H4 C1 H4 84.7(6) . . . no H4 C1 H4 84.6(6) . . . no H4 C1 H5 167.9(10) . . . no H4 C1 H7 91.7(8) . . . no H4 C1 H7 91.7(8) . . . no H4 C1 H4 83.0(6) 1_556 1_556 1_556 no H4 C1 H4 83.0(6) 1_556 1_556 1_556 no H4 C1 H5 37.2(9) 1_556 1_556 1_556 no H4 C1 H7 107.3(7) 1_556 1_556 1_556 no H4 C1 H7 107.3(7) 1_556 1_556 1_556 no H4 C1 H4 120.6(9) 3_665 3_665 3_665 no H4 C1 H5 101.1(8) 3_665 3_665 3_665 no H4 C1 H7 158.9(6) 3_665 3_665 3_665 no H4 C1 H7 79.6(7) 3_665 3_665 3_665 no H4 C1 H5 101.2(8) 3_765 3_765 3_765 no H4 C1 H7 79.6(7) 3_765 3_765 3_765 no H4 C1 H7 158.9(6) 3_765 3_765 3_765 no H5 C1 H7 79.0(9) 1_556 1_556 1_556 no H5 C1 H7 79.0(9) 1_556 1_556 1_556 no H7 C1 H7 79.7(9) . . . no CL1 C2 O1 61.77(6) 3_765 3_765 3_765 ? CL1 C2 O1 89.57(5) 3_765 3_765 3_765 ? CL1 C2 O1 89.58(5) 3_765 3_765 3_765 ? CL1 C2 N1 102.67(7) 3_765 3_765 3_765 ? CL1 C2 N2 43.54(11) 3_765 3_765 3_765 ? CL1 C2 C1 71.78(8) 3_765 3_765 3_765 ? CL1 C2 C3 162.9(1) 3_765 3_765 3_765 ? CL1 C2 C4 132.47(9) 3_765 3_765 3_765 ? CL1 C2 C5 143.12(8) 3_765 3_765 3_765 ? CL1 C2 C6 72.6(2) 3_765 3_765 3_765 ? CL1 C2 H1 10.7(15) 3_765 3_765 3_765 no CL1 C2 H2 59.2(11) 3_765 3_765 3_765 no CL1 C2 H2 59.2(11) 3_765 3_765 3_765 no CL1 C2 H3 99.3(20) 3_765 3_765 3_765 no CL1 C2 H4 175.3(10) 3_765 3_765 3_765 no CL1 C2 H4 63.3(6) 3_765 3_765 3_765 no CL1 C2 H4 63.3(6) 3_765 3_765 3_765 no CL1 C2 H5 156.5(8) 3_765 3_765 3_765 no O1 C2 O1 111.45(6) . . . ? O1 C2 O1 111.45(6) . . . ? O1 C2 N1 40.91(6) . . . ? O1 C2 N2 18.23(11) . . . ? O1 C2 C1 10.01(7) . . . ? O1 C2 C3 101.18(13) . . . ? O1 C2 C4 70.70(7) . . . ? O1 C2 C5 81.35(7) . . . ? O1 C2 C6 134.4(2) . . . ? O1 C2 H1 51.1(15) . . . no O1 C2 H2 116.3(11) . . . no O1 C2 H2 116.3(11) . . . no O1 C2 H3 161.1(20) . . . no O1 C2 H4 123.0(10) . . . no O1 C2 H4 69.5(6) . . . no O1 C2 H4 69.5(6) . . . no O1 C2 H5 94.7(8) . . . no O1 C2 O1 130.45(9) 3_664 3_664 3_664 ? O1 C2 N1 114.23(5) 3_664 3_664 3_664 ? O1 C2 N2 106.45(7) 3_664 3_664 3_664 ? O1 C2 C1 113.31(5) 3_664 3_664 3_664 ? O1 C2 C3 97.47(7) 3_664 3_664 3_664 ? O1 C2 C4 108.30(5) 3_664 3_664 3_664 ? O1 C2 C5 104.91(5) 3_664 3_664 3_664 ? O1 C2 C6 66.30(5) 3_664 3_664 3_664 ? O1 C2 H1 94.0(6) 3_664 3_664 3_664 no O1 C2 H2 90.1(9) 3_664 3_664 3_664 no O1 C2 H2 48.6(8) 3_664 3_664 3_664 no O1 C2 H3 65.7(2) 3_664 3_664 3_664 no O1 C2 H4 88.4(4) 3_664 3_664 3_664 no O1 C2 H4 42.6(6) 3_664 3_664 3_664 no O1 C2 H4 149.4(5) 3_664 3_664 3_664 no O1 C2 H5 100.0(3) 3_664 3_664 3_664 no O1 C2 N1 114.23(5) 3_764 3_764 3_764 ? O1 C2 N2 106.46(7) 3_764 3_764 3_764 ? O1 C2 C1 113.31(5) 3_764 3_764 3_764 ? O1 C2 C3 97.46(7) 3_764 3_764 3_764 ? O1 C2 C4 108.30(5) 3_764 3_764 3_764 ? O1 C2 C5 104.91(5) 3_764 3_764 3_764 ? O1 C2 C6 66.30(5) 3_764 3_764 3_764 ? O1 C2 H1 94.0(6) 3_764 3_764 3_764 no O1 C2 H2 48.6(8) 3_764 3_764 3_764 no O1 C2 H2 90.1(9) 3_764 3_764 3_764 no O1 C2 H3 65.7(2) 3_764 3_764 3_764 no O1 C2 H4 88.4(4) 3_764 3_764 3_764 no O1 C2 H4 149.4(5) 3_764 3_764 3_764 no O1 C2 H4 42.6(6) 3_764 3_764 3_764 no O1 C2 H5 100.0(3) 3_764 3_764 3_764 no N1 C2 N2 59.13(12) . . . ? N1 C2 C1 30.89(7) . . . ? N1 C2 C3 60.27(12) . . . ? N1 C2 C4 29.80(7) . . . ? N1 C2 C5 40.45(7) . . . ? N1 C2 C6 175.3(2) . . . ? N1 C2 H1 92.0(15) . . . no N1 C2 H2 150.6(10) . . . no N1 C2 H2 150.6(10) . . . no N1 C2 H3 158.0(20) . . . no N1 C2 H4 82.1(10) . . . no N1 C2 H4 86.9(5) . . . no N1 C2 H4 86.9(5) . . . no N1 C2 H5 53.8(8) . . . no N2 C2 C1 28.24(11) . . . ? N2 C2 C3 119.4(2) . . . ? N2 C2 C4 88.9(1) . . . ? N2 C2 C5 99.6(1) . . . ? N2 C2 C6 116.1(2) . . . ? N2 C2 H1 32.9(15) . . . no N2 C2 H2 99.5(12) . . . no N2 C2 H2 99.5(12) . . . no N2 C2 H3 142.9(20) . . . no N2 C2 H4 141.2(10) . . . no N2 C2 H4 64.3(6) . . . no N2 C2 H4 64.3(6) . . . no N2 C2 H5 113.0(9) . . . no C1 C2 C3 91.2(1) . . . ? C1 C2 C4 60.69(9) . . . ? C1 C2 C5 71.34(9) . . . ? C1 C2 C6 144.4(2) . . . ? C1 C2 H1 61.1(15) . . . no C1 C2 H2 125.4(11) . . . no C1 C2 H2 125.4(11) . . . no C1 C2 H3 171.1(20) . . . no C1 C2 H4 113.0(10) . . . no C1 C2 H4 73.2(6) . . . no C1 C2 H4 73.2(6) . . . no C1 C2 H5 84.7(8) . . . no C3 C2 C4 30.47(11) . . . ? C3 C2 C5 19.82(10) . . . ? C3 C2 C6 124.5(2) . . . ? C3 C2 H1 152.3(15) . . . no C3 C2 H2 135.8(11) . . . no C3 C2 H2 135.8(11) . . . no C3 C2 H3 97.7(20) . . . no C3 C2 H4 21.8(10) . . . no C3 C2 H4 112.5(5) . . . no C3 C2 H4 112.5(5) . . . no C3 C2 H5 6.4(8) . . . no C4 C2 C5 10.65(7) . . . ? C4 C2 C6 154.9(2) . . . ? C4 C2 H1 121.8(15) . . . no C4 C2 H2 156.8(9) . . . no C4 C2 H2 156.8(9) . . . no C4 C2 H3 128.2(20) . . . no C4 C2 H4 52.3(10) . . . no C4 C2 H4 100.8(5) . . . no C4 C2 H4 100.8(5) . . . no C4 C2 H5 24.0(8) . . . no C5 C2 C6 144.3(2) . . . ? C5 C2 H1 132.4(15) . . . no C5 C2 H2 151.1(10) . . . no C5 C2 H2 151.2(10) . . . no C5 C2 H3 117.5(20) . . . no C5 C2 H4 41.6(10) . . . no C5 C2 H4 105.4(5) . . . no C5 C2 H4 105.4(5) . . . no C5 C2 H5 13.4(8) . . . no C6 C2 H1 83.3(15) . . . no C6 C2 H2 26.5(10) . . . no C6 C2 H2 26.5(10) . . . no C6 C2 H3 26.7(20) . . . no C6 C2 H4 102.7(10) . . . no C6 C2 H4 90.9(5) . . . no C6 C2 H4 90.9(5) . . . no C6 C2 H5 130.9(9) . . . no H1 C2 H2 69.0(18) . . . no H1 C2 H2 69.0(18) . . . no H1 C2 H3 110.0(25) . . . no H1 C2 H4 174.1(20) . . . no H1 C2 H4 61.9(6) . . . no H1 C2 H4 61.9(6) . . . no H1 C2 H5 145.8(17) . . . no H2 C2 H2 42.9(17) . . . no H2 C2 H3 46.8(20) . . . no H2 C2 H4 116.5(15) . . . no H2 C2 H4 102.4(11) . . . no H2 C2 H4 64.6(11) . . . no H2 C2 H5 141.2(12) . . . no H2 C2 H3 46.8(20) 2_755 2_755 2_755 no H2 C2 H4 116.5(15) 2_755 2_755 2_755 no H2 C2 H4 64.6(11) 2_755 2_755 2_755 no H2 C2 H4 102.4(11) 2_755 2_755 2_755 no H2 C2 H5 141.2(12) 2_755 2_755 2_755 no H3 C2 H4 75.9(22) . . . no H3 C2 H4 103.2(10) . . . no H3 C2 H4 103.2(10) . . . no H3 C2 H5 104.1(20) . . . no H4 C2 H4 117.4(5) . . . no H4 C2 H4 117.4(5) . . . no H4 C2 H5 28.2(13) . . . no H4 C2 H4 123.2(11) 3_665 3_665 3_665 no H4 C2 H5 110.4(6) 3_665 3_665 3_665 no H4 C2 H5 110.4(6) 3_765 3_765 3_765 no CL1 C3 CL1 131.23(6) . . . ? CL1 C3 O1 94.49(5) . . . ? CL1 C3 N1 67.23(3) . . . ? CL1 C3 N2 85.87(5) . . . ? CL1 C3 N2 165.67(8) . . . ? CL1 C3 N2 47.60(3) . . . ? CL1 C3 C1 74.77(4) . . . ? CL1 C3 C2 98.02(6) . . . ? CL1 C3 C4 65.97(3) . . . ? CL1 C3 C5 71.47(4) . . . ? CL1 C3 C6 108.08(5) . . . ? CL1 C3 C7 66.01(3) . . . ? CL1 C3 H1 91.5(4) . . . no CL1 C3 H1 155.9(8) . . . no CL1 C3 H1 32.0(9) . . . no CL1 C3 H2 93.3(6) . . . no CL1 C3 H2 125.7(4) . . . no CL1 C3 H2 119.4(6) . . . no CL1 C3 H2 51.0(5) . . . no CL1 C3 H3 113.0(3) . . . no CL1 C3 H4 104.2(8) . . . no CL1 C3 H5 78.2(5) . . . no CL1 C3 H6 58.0(7) . . . no CL1 C3 H6 82.8(6) . . . no CL1 C3 O1 94.50(5) 1_455 1_455 1_455 ? CL1 C3 N1 67.22(3) 1_455 1_455 1_455 ? CL1 C3 N2 85.86(5) 1_455 1_455 1_455 ? CL1 C3 N2 47.60(3) 1_455 1_455 1_455 ? CL1 C3 N2 165.67(8) 1_455 1_455 1_455 ? CL1 C3 C1 74.76(4) 1_455 1_455 1_455 ? CL1 C3 C2 98.01(6) 1_455 1_455 1_455 ? CL1 C3 C4 65.97(3) 1_455 1_455 1_455 ? CL1 C3 C5 71.48(4) 1_455 1_455 1_455 ? CL1 C3 C6 108.08(5) 1_455 1_455 1_455 ? CL1 C3 C7 66.01(3) 1_455 1_455 1_455 ? CL1 C3 H1 91.5(4) 1_455 1_455 1_455 no CL1 C3 H1 32.0(9) 1_455 1_455 1_455 no CL1 C3 H1 155.9(8) 1_455 1_455 1_455 no CL1 C3 H2 119.4(6) 1_455 1_455 1_455 no CL1 C3 H2 51.0(5) 1_455 1_455 1_455 no CL1 C3 H2 93.3(6) 1_455 1_455 1_455 no CL1 C3 H2 125.7(4) 1_455 1_455 1_455 no CL1 C3 H3 113.0(3) 1_455 1_455 1_455 no CL1 C3 H4 104.2(8) 1_455 1_455 1_455 no CL1 C3 H5 78.2(5) 1_455 1_455 1_455 no CL1 C3 H6 82.8(6) 1_455 1_455 1_455 no CL1 C3 H6 58.0(7) 1_455 1_455 1_455 no O1 C3 N1 121.30(10) 1_554 1_554 1_554 ? O1 C3 N2 179.12(10) 1_554 1_554 1_554 ? O1 C3 N2 72.17(5) 1_554 1_554 1_554 ? O1 C3 N2 72.16(5) 1_554 1_554 1_554 ? O1 C3 C1 151.41(10) 1_554 1_554 1_554 ? O1 C3 C2 149.3(1) 1_554 1_554 1_554 ? O1 C3 C4 91.4(1) 1_554 1_554 1_554 ? O1 C3 C5 61.25(9) 1_554 1_554 1_554 ? O1 C3 C6 120.32(12) 1_554 1_554 1_554 ? O1 C3 C7 110.96(8) 1_554 1_554 1_554 ? O1 C3 H1 165.5(10) 1_554 1_554 1_554 no O1 C3 H1 75.4(10) 1_554 1_554 1_554 no O1 C3 H1 75.4(10) 1_554 1_554 1_554 no O1 C3 H2 124.7(7) 1_554 1_554 1_554 no O1 C3 H2 44.0(5) 1_554 1_554 1_554 no O1 C3 H2 124.7(7) 1_554 1_554 1_554 no O1 C3 H2 44.0(5) 1_554 1_554 1_554 no O1 C3 H3 97.8(19) 1_554 1_554 1_554 no O1 C3 H4 25.5(22) 1_554 1_554 1_554 no O1 C3 H5 40.5(13) 1_554 1_554 1_554 no O1 C3 H6 66.0(9) 1_554 1_554 1_554 no O1 C3 H6 66.0(9) 1_554 1_554 1_554 no N1 C3 N2 59.58(9) . . . ? N1 C3 N2 114.77(4) . . . ? N1 C3 N2 114.77(4) . . . ? N1 C3 C1 30.11(7) . . . ? N1 C3 C2 89.4(1) . . . ? N1 C3 C4 29.92(11) . . . ? N1 C3 C5 60.05(9) . . . ? N1 C3 C6 118.4(1) . . . ? N1 C3 C7 10.34(6) . . . ? N1 C3 H1 73.2(9) . . . no N1 C3 H1 99.1(9) . . . no N1 C3 H1 99.1(9) . . . no N1 C3 H2 112.1(7) . . . no N1 C3 H2 101.9(5) . . . no N1 C3 H2 112.1(7) . . . no N1 C3 H2 101.9(5) . . . no N1 C3 H3 140.9(19) . . . no N1 C3 H4 146.8(23) . . . no N1 C3 H5 80.8(13) . . . no N1 C3 H6 56.9(9) . . . no N1 C3 H6 56.9(9) . . . no N2 C3 N2 107.55(5) . . . ? N2 C3 N2 107.55(5) . . . ? N2 C3 C1 29.47(7) . . . ? N2 C3 C2 29.79(11) . . . ? N2 C3 C4 89.5(1) . . . ? N2 C3 C5 119.63(11) . . . ? N2 C3 C6 58.80(11) . . . ? N2 C3 C7 69.92(8) . . . ? N2 C3 H1 13.6(9) . . . no N2 C3 H1 104.6(10) . . . no N2 C3 H1 104.6(10) . . . no N2 C3 H2 54.4(7) . . . no N2 C3 H2 136.3(5) . . . no N2 C3 H2 54.4(7) . . . no N2 C3 H2 136.3(5) . . . no N2 C3 H3 81.3(19) . . . no N2 C3 H4 153.6(23) . . . no N2 C3 H5 140.3(13) . . . no N2 C3 H6 114.8(9) . . . no N2 C3 H6 114.8(9) . . . no N2 C3 N2 128.86(8) 3_664 3_664 3_664 ? N2 C3 C1 114.48(5) 3_664 3_664 3_664 ? N2 C3 C2 96.21(7) 3_664 3_664 3_664 ? N2 C3 C4 108.15(6) 3_664 3_664 3_664 ? N2 C3 C5 96.86(6) 3_664 3_664 3_664 ? N2 C3 C6 83.80(6) 3_664 3_664 3_664 ? N2 C3 C7 113.18(4) 3_664 3_664 3_664 ? N2 C3 H1 102.7(4) 3_664 3_664 3_664 no N2 C3 H1 16.4(9) 3_664 3_664 3_664 no N2 C3 H1 141.8(10) 3_664 3_664 3_664 no N2 C3 H2 98.6(6) 3_664 3_664 3_664 no N2 C3 H2 40.4(4) 3_664 3_664 3_664 no N2 C3 H2 73.8(6) 3_664 3_664 3_664 no N2 C3 H2 116.1(5) 3_664 3_664 3_664 no N2 C3 H3 75.0(7) 3_664 3_664 3_664 no N2 C3 H4 66.0(4) 3_664 3_664 3_664 no N2 C3 H5 88.0(6) 3_664 3_664 3_664 no N2 C3 H6 110.2(7) 3_664 3_664 3_664 no N2 C3 H6 86.8(7) 3_664 3_664 3_664 no N2 C3 C1 114.49(5) 3_764 3_764 3_764 ? N2 C3 C2 96.22(7) 3_764 3_764 3_764 ? N2 C3 C4 108.15(6) 3_764 3_764 3_764 ? N2 C3 C5 96.85(6) 3_764 3_764 3_764 ? N2 C3 C6 83.80(6) 3_764 3_764 3_764 ? N2 C3 C7 113.18(4) 3_764 3_764 3_764 ? N2 C3 H1 102.7(4) 3_764 3_764 3_764 no N2 C3 H1 141.8(10) 3_764 3_764 3_764 no N2 C3 H1 16.4(9) 3_764 3_764 3_764 no N2 C3 H2 73.8(6) 3_764 3_764 3_764 no N2 C3 H2 116.1(5) 3_764 3_764 3_764 no N2 C3 H2 98.6(6) 3_764 3_764 3_764 no N2 C3 H2 40.4(4) 3_764 3_764 3_764 no N2 C3 H3 75.0(7) 3_764 3_764 3_764 no N2 C3 H4 65.9(4) 3_764 3_764 3_764 no N2 C3 H5 88.0(6) 3_764 3_764 3_764 no N2 C3 H6 86.8(7) 3_764 3_764 3_764 no N2 C3 H6 110.2(7) 3_764 3_764 3_764 no C1 C3 C2 59.26(12) . . . ? C1 C3 C4 60.04(12) . . . ? C1 C3 C5 90.16(10) . . . ? C1 C3 C6 88.27(12) . . . ? C1 C3 C7 40.45(6) . . . ? C1 C3 H1 43.1(9) . . . no C1 C3 H1 103.7(10) . . . no C1 C3 H1 103.7(10) . . . no C1 C3 H2 82.9(7) . . . no C1 C3 H2 122.6(5) . . . no C1 C3 H2 82.9(7) . . . no C1 C3 H2 122.6(5) . . . no C1 C3 H3 110.7(19) . . . no C1 C3 H4 177.0(23) . . . no C1 C3 H5 110.9(13) . . . no C1 C3 H6 86.2(9) . . . no C1 C3 H6 86.2(9) . . . no C2 C3 C4 119.3(2) . . . ? C2 C3 C5 149.4(2) . . . ? C2 C3 C6 29.01(13) . . . ? C2 C3 C7 99.72(13) . . . ? C2 C3 H1 16.2(9) . . . no C2 C3 H1 101.6(9) . . . no C2 C3 H1 101.6(9) . . . no C2 C3 H2 26.9(7) . . . no C2 C3 H2 135.9(4) . . . no C2 C3 H2 26.9(7) . . . no C2 C3 H2 135.9(4) . . . no C2 C3 H3 51.5(19) . . . no C2 C3 H4 123.8(23) . . . no C2 C3 H5 170.1(13) . . . no C2 C3 H6 143.3(9) . . . no C2 C3 H6 143.3(9) . . . no C4 C3 C5 30.13(12) . . . ? C4 C3 C6 148.3(2) . . . ? C4 C3 C7 19.58(11) . . . ? C4 C3 H1 103.1(9) . . . no C4 C3 H1 92.1(8) . . . no C4 C3 H1 92.1(8) . . . no C4 C3 H2 140.6(7) . . . no C4 C3 H2 79.7(4) . . . no C4 C3 H2 140.6(7) . . . no C4 C3 H2 79.7(4) . . . no C4 C3 H3 170.8(19) . . . no C4 C3 H4 116.9(23) . . . no C4 C3 H5 50.8(13) . . . no C4 C3 H6 28.8(9) . . . no C4 C3 H6 28.8(9) . . . no C5 C3 C6 178.4(2) . . . ? C5 C3 C7 49.71(9) . . . ? C5 C3 H1 133.3(9) . . . no C5 C3 H1 84.6(8) . . . no C5 C3 H1 84.6(8) . . . no C5 C3 H2 164.5(6) . . . no C5 C3 H2 58.8(4) . . . no C5 C3 H2 164.5(6) . . . no C5 C3 H2 58.8(4) . . . no C5 C3 H3 159.1(19) . . . no C5 C3 H4 86.8(23) . . . no C5 C3 H5 20.7(13) . . . no C5 C3 H6 13.5(7) . . . no C5 C3 H6 13.5(7) . . . no C6 C3 C7 128.72(12) . . . ? C6 C3 H1 45.2(10) . . . no C6 C3 H1 95.8(8) . . . no C6 C3 H1 95.8(8) . . . no C6 C3 H2 14.8(6) . . . no C6 C3 H2 122.1(4) . . . no C6 C3 H2 14.8(6) . . . no C6 C3 H2 122.1(4) . . . no C6 C3 H3 22.5(18) . . . no C6 C3 H4 94.8(23) . . . no C6 C3 H5 160.9(13) . . . no C6 C3 H6 166.0(7) . . . no C6 C3 H6 166.0(7) . . . no C7 C3 H1 83.5(9) . . . no C7 C3 H1 96.8(9) . . . no C7 C3 H1 96.8(9) . . . no C7 C3 H2 122.1(7) . . . no C7 C3 H2 94.3(4) . . . no C7 C3 H2 122.1(7) . . . no C7 C3 H2 94.3(4) . . . no C7 C3 H3 151.2(19) . . . no C7 C3 H4 136.5(23) . . . no C7 C3 H5 70.4(13) . . . no C7 C3 H6 47.0(9) . . . no C7 C3 H6 47.0(9) . . . no H1 C3 H1 103.7(9) . . . no H1 C3 H1 103.7(9) . . . no H1 C3 H2 41.5(11) . . . no H1 C3 H2 138.2(5) . . . no H1 C3 H2 41.5(11) . . . no H1 C3 H2 138.2(5) . . . no H1 C3 H3 67.6(20) . . . no H1 C3 H4 139.9(27) . . . no H1 C3 H5 154.0(16) . . . no H1 C3 H6 128.0(13) . . . no H1 C3 H6 128.0(13) . . . no H1 C3 H1 150.5(20) 3_664 3_664 3_664 no H1 C3 H2 110.4(10) 3_664 3_664 3_664 no H1 C3 H2 34.9(10) 3_664 3_664 3_664 no H1 C3 H2 83.7(10) 3_664 3_664 3_664 no H1 C3 H2 117.9(11) 3_664 3_664 3_664 no H1 C3 H3 90.2(9) 3_664 3_664 3_664 no H1 C3 H4 76.0(10) 3_664 3_664 3_664 no H1 C3 H5 80.1(9) 3_664 3_664 3_664 no H1 C3 H6 98.0(11) 3_664 3_664 3_664 no H1 C3 H6 73.1(10) 3_664 3_664 3_664 no H1 C3 H2 83.7(10) 3_764 3_764 3_764 no H1 C3 H2 117.9(11) 3_764 3_764 3_764 no H1 C3 H2 110.4(10) 3_764 3_764 3_764 no H1 C3 H2 34.9(10) 3_764 3_764 3_764 no H1 C3 H3 90.2(9) 3_764 3_764 3_764 no H1 C3 H4 76.0(10) 3_764 3_764 3_764 no H1 C3 H5 80.1(9) 3_764 3_764 3_764 no H1 C3 H6 73.1(10) 3_764 3_764 3_764 no H1 C3 H6 98.0(11) 3_764 3_764 3_764 no H2 C3 H2 136.2(8) . . . no H2 C3 H2 27.5(11) . . . no H2 C3 H2 113.9(5) . . . no H2 C3 H3 31.0(18) . . . no H2 C3 H4 100.1(24) . . . no H2 C3 H5 160.8(11) . . . no H2 C3 H6 151.1(11) . . . no H2 C3 H6 169.0(11) . . . no H2 C3 H2 113.9(5) 4_464 4_464 4_464 no H2 C3 H2 83.6(9) 4_464 4_464 4_464 no H2 C3 H3 107.0(14) 4_464 4_464 4_464 no H2 C3 H4 55.6(14) 4_464 4_464 4_464 no H2 C3 H5 47.6(7) 4_464 4_464 4_464 no H2 C3 H6 71.5(8) 4_464 4_464 4_464 no H2 C3 H6 52.1(8) 4_464 4_464 4_464 no H2 C3 H2 136.2(8) 2_755 2_755 2_755 no H2 C3 H3 31.0(18) 2_755 2_755 2_755 no H2 C3 H4 100.1(24) 2_755 2_755 2_755 no H2 C3 H5 160.8(11) 2_755 2_755 2_755 no H2 C3 H6 169.0(11) 2_755 2_755 2_755 no H2 C3 H6 151.1(11) 2_755 2_755 2_755 no H2 C3 H3 107.0(14) 3_764 3_764 3_764 no H2 C3 H4 55.6(14) 3_764 3_764 3_764 no H2 C3 H5 47.6(7) 3_764 3_764 3_764 no H2 C3 H6 52.1(8) 3_764 3_764 3_764 no H2 C3 H6 71.5(8) 3_764 3_764 3_764 no H3 C3 H4 72.3(30) . . . no H3 C3 H5 138.4(20) . . . no H3 C3 H6 159.0(18) . . . no H3 C3 H6 159.0(18) . . . no H4 C3 H5 66.1(27) . . . no H4 C3 H6 90.9(24) . . . no H4 C3 H6 90.9(24) . . . no H5 C3 H6 27.8(14) . . . no H5 C3 H6 27.8(14) . . . no H6 C3 H6 25.7(12) . . . no CL1 C4 CL1 170.27(7) . . . ? CL1 C4 O1 85.38(4) . . . ? CL1 C4 O1 94.84(4) . . . ? CL1 C4 N1 85.14(4) . . . ? CL1 C4 N2 87.42(4) . . . ? CL1 C4 C1 85.69(4) . . . ? CL1 C4 C2 89.78(4) . . . ? CL1 C4 C3 92.26(4) . . . ? CL1 C4 C5 92.47(4) . . . ? CL1 C4 C6 90.60(4) . . . ? CL1 C4 C7 85.87(4) . . . ? CL1 C4 C8 64.75(5) . . . ? CL1 C4 C8 107.49(6) . . . ? CL1 C4 H1 87.71(8) . . . no CL1 C4 H1 156.7(8) . . . no CL1 C4 H1 31.5(8) . . . no CL1 C4 H2 136.5(5) . . . no CL1 C4 H2 52.9(5) . . . no CL1 C4 H4 93.82(7) . . . no CL1 C4 H5 94.00(8) . . . no CL1 C4 H6 71.4(10) . . . no CL1 C4 H6 111.5(10) . . . no CL1 C4 H7 46.8(5) . . . no CL1 C4 H7 125.0(5) . . . no CL1 C4 O1 85.36(4) 1_455 1_455 1_455 ? CL1 C4 O1 94.85(4) 1_455 1_455 1_455 ? CL1 C4 N1 85.13(4) 1_455 1_455 1_455 ? CL1 C4 N2 87.42(4) 1_455 1_455 1_455 ? CL1 C4 C1 85.68(4) 1_455 1_455 1_455 ? CL1 C4 C2 89.78(4) 1_455 1_455 1_455 ? CL1 C4 C3 92.26(4) 1_455 1_455 1_455 ? CL1 C4 C5 92.48(4) 1_455 1_455 1_455 ? CL1 C4 C6 90.59(4) 1_455 1_455 1_455 ? CL1 C4 C7 85.87(4) 1_455 1_455 1_455 ? CL1 C4 C8 107.49(6) 1_455 1_455 1_455 ? CL1 C4 C8 64.75(5) 1_455 1_455 1_455 ? CL1 C4 H1 87.70(8) 1_455 1_455 1_455 no CL1 C4 H1 31.5(8) 1_455 1_455 1_455 no CL1 C4 H1 156.7(8) 1_455 1_455 1_455 no CL1 C4 H2 52.9(5) 1_455 1_455 1_455 no CL1 C4 H2 136.5(5) 1_455 1_455 1_455 no CL1 C4 H4 93.82(7) 1_455 1_455 1_455 no CL1 C4 H5 94.01(8) 1_455 1_455 1_455 no CL1 C4 H6 111.5(10) 1_455 1_455 1_455 no CL1 C4 H6 71.4(10) 1_455 1_455 1_455 no CL1 C4 H7 125.0(5) 1_455 1_455 1_455 no CL1 C4 H7 46.8(5) 1_455 1_455 1_455 no O1 C4 O1 167.38(9) . . . ? O1 C4 N1 19.48(9) . . . ? O1 C4 N2 40.14(6) . . . ? O1 C4 C1 9.73(6) . . . ? O1 C4 C2 69.65(8) . . . ? O1 C4 C3 99.9(1) . . . ? O1 C4 C5 138.4(2) . . . ? O1 C4 C6 79.26(8) . . . ? O1 C4 C7 49.64(8) . . . ? O1 C4 C8 57.53(7) . . . ? O1 C4 C8 57.53(7) . . . ? O1 C4 H1 44.0(9) . . . no O1 C4 H1 107.2(9) . . . no O1 C4 H1 107.2(9) . . . no O1 C4 H2 138.0(5) . . . no O1 C4 H2 138.1(5) . . . no O1 C4 H4 124.0(12) . . . no O1 C4 H5 163.4(14) . . . no O1 C4 H6 122.5(13) . . . no O1 C4 H6 122.5(13) . . . no O1 C4 H7 60.6(5) . . . no O1 C4 H7 60.6(5) . . . no O1 C4 N1 173.14(13) 1_554 1_554 1_554 ? O1 C4 N2 127.24(8) 1_554 1_554 1_554 ? O1 C4 C1 157.65(9) 1_554 1_554 1_554 ? O1 C4 C2 97.73(9) 1_554 1_554 1_554 ? O1 C4 C3 67.51(13) 1_554 1_554 1_554 ? O1 C4 C5 54.25(13) 1_554 1_554 1_554 ? O1 C4 C6 88.12(8) 1_554 1_554 1_554 ? O1 C4 C7 142.97(10) 1_554 1_554 1_554 ? O1 C4 C8 133.63(8) 1_554 1_554 1_554 ? O1 C4 C8 133.64(8) 1_554 1_554 1_554 ? O1 C4 H1 123.3(9) 1_554 1_554 1_554 no O1 C4 H1 68.6(9) 1_554 1_554 1_554 no O1 C4 H1 68.6(9) 1_554 1_554 1_554 no O1 C4 H2 42.6(5) 1_554 1_554 1_554 no O1 C4 H2 42.6(5) 1_554 1_554 1_554 no O1 C4 H4 43.3(12) 1_554 1_554 1_554 no O1 C4 H5 29.3(14) 1_554 1_554 1_554 no O1 C4 H6 69.1(13) 1_554 1_554 1_554 no O1 C4 H6 69.1(13) 1_554 1_554 1_554 no O1 C4 H7 127.6(5) 1_554 1_554 1_554 no O1 C4 H7 127.6(5) 1_554 1_554 1_554 no N1 C4 N2 59.62(11) . . . ? N1 C4 C1 29.21(10) . . . ? N1 C4 C2 89.13(13) . . . ? N1 C4 C3 119.4(2) . . . ? N1 C4 C5 118.9(2) . . . ? N1 C4 C6 98.74(13) . . . ? N1 C4 C7 30.16(10) . . . ? N1 C4 C8 40.55(9) . . . ? N1 C4 C8 40.55(9) . . . ? N1 C4 H1 63.5(9) . . . no N1 C4 H1 113.3(9) . . . no N1 C4 H1 113.3(9) . . . no N1 C4 H2 135.8(5) . . . no N1 C4 H2 135.8(5) . . . no N1 C4 H4 143.5(12) . . . no N1 C4 H5 143.9(14) . . . no N1 C4 H6 104.5(13) . . . no N1 C4 H6 104.5(13) . . . no N1 C4 H7 48.5(5) . . . no N1 C4 H7 48.5(5) . . . no N2 C4 C1 30.41(7) . . . ? N2 C4 C2 29.51(7) . . . ? N2 C4 C3 59.74(13) . . . ? N2 C4 C5 178.5(2) . . . ? N2 C4 C6 39.12(8) . . . ? N2 C4 C7 89.78(9) . . . ? N2 C4 C8 94.59(8) . . . ? N2 C4 C8 94.58(8) . . . ? N2 C4 H1 3.9(9) . . . no N2 C4 H1 90.0(8) . . . no N2 C4 H1 90.0(8) . . . no N2 C4 H2 122.6(4) . . . no N2 C4 H2 122.6(4) . . . no N2 C4 H4 83.9(12) . . . no N2 C4 H5 156.5(14) . . . no N2 C4 H6 155.1(12) . . . no N2 C4 H6 155.1(12) . . . no N2 C4 H7 90.7(5) . . . no N2 C4 H7 90.7(5) . . . no C1 C4 C2 59.92(9) . . . ? C1 C4 C3 90.1(1) . . . ? C1 C4 C5 148.1(2) . . . ? C1 C4 C6 69.53(9) . . . ? C1 C4 C7 59.37(8) . . . ? C1 C4 C8 66.38(8) . . . ? C1 C4 C8 66.38(8) . . . ? C1 C4 H1 34.3(9) . . . no C1 C4 H1 103.4(9) . . . no C1 C4 H1 103.4(9) . . . no C1 C4 H2 136.5(5) . . . no C1 C4 H2 136.5(5) . . . no C1 C4 H4 114.3(12) . . . no C1 C4 H5 173.1(14) . . . no C1 C4 H6 131.3(13) . . . no C1 C4 H6 131.3(13) . . . no C1 C4 H7 67.5(5) . . . no C1 C4 H7 67.5(5) . . . no C2 C4 C3 30.23(12) . . . ? C2 C4 C5 152.0(2) . . . ? C2 C4 C6 9.61(8) . . . ? C2 C4 C7 119.29(11) . . . ? C2 C4 C8 121.77(10) . . . ? C2 C4 C8 121.77(10) . . . ? C2 C4 H1 25.6(9) . . . no C2 C4 H1 77.0(7) . . . no C2 C4 H1 77.0(7) . . . no C2 C4 H2 102.5(4) . . . no C2 C4 H2 102.5(4) . . . no C2 C4 H4 54.4(12) . . . no C2 C4 H5 127.0(14) . . . no C2 C4 H6 155.3(10) . . . no C2 C4 H6 155.3(10) . . . no C2 C4 H7 113.1(4) . . . no C2 C4 H7 113.1(4) . . . no C3 C4 C5 121.8(2) . . . ? C3 C4 C6 20.62(13) . . . ? C3 C4 C7 149.5(2) . . . ? C3 C4 C8 147.30(12) . . . ? C3 C4 C8 147.30(12) . . . ? C3 C4 H1 55.8(9) . . . no C3 C4 H1 66.7(7) . . . no C3 C4 H1 66.7(7) . . . no C3 C4 H2 80.0(4) . . . no C3 C4 H2 80.0(4) . . . no C3 C4 H4 24.2(12) . . . no C3 C4 H5 96.8(14) . . . no C3 C4 H6 131.8(12) . . . no C3 C4 H6 131.8(12) . . . no C3 C4 H7 132.5(4) . . . no C3 C4 H7 132.5(4) . . . no C5 C4 C6 142.4(2) . . . ? C5 C4 C7 88.7(2) . . . ? C5 C4 C8 84.0(1) . . . ? C5 C4 C8 84.0(1) . . . ? C5 C4 H1 177.6(9) . . . no C5 C4 H1 90.7(8) . . . no C5 C4 H1 90.7(8) . . . no C5 C4 H2 58.3(4) . . . no C5 C4 H2 58.3(4) . . . no C5 C4 H4 97.6(12) . . . no C5 C4 H5 25.0(14) . . . no C5 C4 H6 24.1(12) . . . no C5 C4 H6 24.1(12) . . . no C5 C4 H7 88.2(5) . . . no C5 C4 H7 88.2(5) . . . no C6 C4 C7 128.90(10) . . . ? C6 C4 C8 130.34(9) . . . ? C6 C4 C8 130.34(9) . . . ? C6 C4 H1 35.2(9) . . . no C6 C4 H1 73.2(7) . . . no C6 C4 H1 73.2(7) . . . no C6 C4 H2 95.4(4) . . . no C6 C4 H2 95.4(4) . . . no C6 C4 H4 44.8(12) . . . no C6 C4 H5 117.4(14) . . . no C6 C4 H6 148.9(11) . . . no C6 C4 H6 148.9(11) . . . no C6 C4 H7 119.9(4) . . . no C6 C4 H7 119.9(4) . . . no C7 C4 C8 21.98(4) . . . ? C7 C4 C8 21.98(4) . . . ? C7 C4 H1 93.7(9) . . . no C7 C4 H1 117.3(8) . . . no C7 C4 H1 117.3(8) . . . no C7 C4 H2 121.1(4) . . . no C7 C4 H2 121.1(4) . . . no C7 C4 H4 173.7(12) . . . no C7 C4 H5 113.7(14) . . . no C7 C4 H6 76.2(13) . . . no C7 C4 H6 76.2(13) . . . no C7 C4 H7 39.2(5) . . . no C7 C4 H7 39.2(5) . . . no C8 C4 C8 42.80(8) . . . ? C8 C4 H1 98.2(8) . . . no C8 C4 H1 138.6(8) . . . no C8 C4 H1 95.8(8) . . . no C8 C4 H2 132.7(4) . . . no C8 C4 H2 101.0(4) . . . no C8 C4 H4 158.57(8) . . . no C8 C4 H5 107.2(13) . . . no C8 C4 H6 65.0(13) . . . no C8 C4 H6 80.1(12) . . . no C8 C4 H7 18.1(4) . . . no C8 C4 H7 60.7(5) . . . no C8 C4 H1 98.2(8) 2_755 2_755 2_755 no C8 C4 H1 95.8(8) 2_755 2_755 2_755 no C8 C4 H1 138.6(8) 2_755 2_755 2_755 no C8 C4 H2 101.0(4) 2_755 2_755 2_755 no C8 C4 H2 132.7(4) 2_755 2_755 2_755 no C8 C4 H4 158.57(8) 2_755 2_755 2_755 no C8 C4 H5 107.2(13) 2_755 2_755 2_755 no C8 C4 H6 80.1(12) 2_755 2_755 2_755 no C8 C4 H6 65.0(13) 2_755 2_755 2_755 no C8 C4 H7 60.7(5) 2_755 2_755 2_755 no C8 C4 H7 18.1(4) 2_755 2_755 2_755 no H1 C4 H1 88.2(4) . . . no H1 C4 H1 88.2(4) . . . no H1 C4 H2 120.2(7) . . . no H1 C4 H2 120.2(7) . . . no H1 C4 H4 80.0(16) . . . no H1 C4 H5 152.6(16) . . . no H1 C4 H6 157.1(12) . . . no H1 C4 H6 157.1(12) . . . no H1 C4 H7 93.7(9) . . . no H1 C4 H7 93.7(9) . . . no H1 C4 H1 125.4(15) 3_664 3_664 3_664 no H1 C4 H2 34.0(10) 3_664 3_664 3_664 no H1 C4 H2 110.9(10) 3_664 3_664 3_664 no H1 C4 H4 62.9(8) 3_664 3_664 3_664 no H1 C4 H5 79.5(10) 3_664 3_664 3_664 no H1 C4 H6 114.6(15) 3_664 3_664 3_664 no H1 C4 H6 78.8(12) 3_664 3_664 3_664 no H1 C4 H7 156.4(9) 3_664 3_664 3_664 no H1 C4 H7 78.2(9) 3_664 3_664 3_664 no H1 C4 H2 110.9(10) 3_764 3_764 3_764 no H1 C4 H2 34.0(10) 3_764 3_764 3_764 no H1 C4 H4 62.9(8) 3_764 3_764 3_764 no H1 C4 H5 79.4(10) 3_764 3_764 3_764 no H1 C4 H6 78.8(12) 3_764 3_764 3_764 no H1 C4 H6 114.6(15) 3_764 3_764 3_764 no H1 C4 H7 78.2(9) 3_764 3_764 3_764 no H1 C4 H7 156.4(9) 3_764 3_764 3_764 no H2 C4 H2 83.7(10) 4_464 4_464 4_464 no H2 C4 H4 63.0(9) 4_464 4_464 4_464 no H2 C4 H5 45.6(7) 4_464 4_464 4_464 no H2 C4 H6 82.3(12) 4_464 4_464 4_464 no H2 C4 H6 53.6(11) 4_464 4_464 4_464 no H2 C4 H7 144.4(6) 4_464 4_464 4_464 no H2 C4 H7 88.4(7) 4_464 4_464 4_464 no H2 C4 H4 63.0(9) 3_764 3_764 3_764 no H2 C4 H5 45.6(7) 3_764 3_764 3_764 no H2 C4 H6 53.6(11) 3_764 3_764 3_764 no H2 C4 H6 82.3(12) 3_764 3_764 3_764 no H2 C4 H7 88.4(7) 3_764 3_764 3_764 no H2 C4 H7 144.5(6) 3_764 3_764 3_764 no H4 C4 H5 72.6(19) . . . no H4 C4 H6 109.7(17) . . . no H4 C4 H6 109.7(17) . . . no H4 C4 H7 140.6(5) . . . no H4 C4 H7 140.6(5) . . . no H5 C4 H6 42.7(17) . . . no H5 C4 H6 42.7(17) . . . no H5 C4 H7 107.3(12) . . . no H5 C4 H7 107.4(12) . . . no H6 C4 H6 40.3(19) . . . no H6 C4 H7 65.4(14) . . . no H6 C4 H7 91.1(11) . . . no H6 C4 H7 91.1(11) 2_755 2_755 2_755 no H6 C4 H7 65.4(14) 2_755 2_755 2_755 no H7 C4 H7 78.3(9) . . . no CL1 C5 CL1 128.45(8) . . . ? CL1 C5 O1 99.62(5) . . . ? CL1 C5 N1 65.95(4) . . . ? CL1 C5 C1 64.75(4) . . . ? CL1 C5 C2 67.02(4) . . . ? CL1 C5 C3 69.64(5) . . . ? CL1 C5 C4 64.55(4) . . . ? CL1 C5 C7 74.20(5) . . . ? CL1 C5 C8 59.31(5) . . . ? CL1 C5 C8 96.55(8) . . . ? CL1 C5 H2 144.2(5) . . . no CL1 C5 H2 54.6(6) . . . no CL1 C5 H4 76.3(4) . . . no CL1 C5 H5 102.8(12) . . . no CL1 C5 H6 56.4(22) . . . no CL1 C5 H6 146.8(27) . . . no CL1 C5 H7 42.6(4) . . . no CL1 C5 H7 108.4(5) . . . no CL1 C5 H8 128.9(8) . . . no CL1 C5 H8 81.7(8) . . . no CL1 C5 H9 155.0(7) . . . no CL1 C5 H9 46.7(5) . . . no CL1 C5 O1 99.63(5) 1_455 1_455 1_455 ? CL1 C5 N1 65.94(4) 1_455 1_455 1_455 ? CL1 C5 C1 64.75(4) 1_455 1_455 1_455 ? CL1 C5 C2 67.01(4) 1_455 1_455 1_455 ? CL1 C5 C3 69.64(5) 1_455 1_455 1_455 ? CL1 C5 C4 64.54(4) 1_455 1_455 1_455 ? CL1 C5 C7 74.19(5) 1_455 1_455 1_455 ? CL1 C5 C8 96.54(8) 1_455 1_455 1_455 ? CL1 C5 C8 59.30(5) 1_455 1_455 1_455 ? CL1 C5 H2 54.6(6) 1_455 1_455 1_455 no CL1 C5 H2 144.2(5) 1_455 1_455 1_455 no CL1 C5 H4 76.3(4) 1_455 1_455 1_455 no CL1 C5 H5 102.8(12) 1_455 1_455 1_455 no CL1 C5 H6 146.8(27) 1_455 1_455 1_455 no CL1 C5 H6 56.4(22) 1_455 1_455 1_455 no CL1 C5 H7 108.4(5) 1_455 1_455 1_455 no CL1 C5 H7 42.6(4) 1_455 1_455 1_455 no CL1 C5 H8 81.7(8) 1_455 1_455 1_455 no CL1 C5 H8 128.9(8) 1_455 1_455 1_455 no CL1 C5 H9 46.7(5) 1_455 1_455 1_455 no CL1 C5 H9 155.0(7) 1_455 1_455 1_455 no O1 C5 N1 132.97(11) 1_554 1_554 1_554 ? O1 C5 C1 123.78(9) 1_554 1_554 1_554 ? O1 C5 C2 86.52(8) 1_554 1_554 1_554 ? O1 C5 C3 75.76(9) 1_554 1_554 1_554 ? O1 C5 C4 103.9(1) 1_554 1_554 1_554 ? O1 C5 C7 163.82(11) 1_554 1_554 1_554 ? O1 C5 C8 158.74(5) 1_554 1_554 1_554 ? O1 C5 C8 158.74(5) 1_554 1_554 1_554 ? O1 C5 H2 50.5(6) 1_554 1_554 1_554 no O1 C5 H2 50.5(6) 1_554 1_554 1_554 no O1 C5 H4 55.6(10) 1_554 1_554 1_554 no O1 C5 H5 8.1(31) 1_554 1_554 1_554 no O1 C5 H6 112.3(30) 1_554 1_554 1_554 no O1 C5 H6 112.3(30) 1_554 1_554 1_554 no O1 C5 H7 141.9(4) 1_554 1_554 1_554 no O1 C5 H7 141.9(4) 1_554 1_554 1_554 no O1 C5 H8 116.4(10) 1_554 1_554 1_554 no O1 C5 H8 116.4(10) 1_554 1_554 1_554 no O1 C5 H9 105.4(7) 1_554 1_554 1_554 no O1 C5 H9 105.4(7) 1_554 1_554 1_554 no N1 C5 C1 9.19(6) . . . ? N1 C5 C2 46.45(7) . . . ? N1 C5 C3 57.21(9) . . . ? N1 C5 C4 29.09(11) . . . ? N1 C5 C7 30.85(7) . . . ? N1 C5 C8 44.55(7) . . . ? N1 C5 C8 44.55(7) . . . ? N1 C5 H2 116.8(6) . . . no N1 C5 H2 116.8(6) . . . no N1 C5 H4 77.4(10) . . . no N1 C5 H5 141.1(31) . . . no N1 C5 H6 96.6(31) . . . no N1 C5 H6 96.6(31) . . . no N1 C5 H7 47.1(4) . . . no N1 C5 H7 47.1(4) . . . no N1 C5 H8 105.8(10) . . . no N1 C5 H8 105.8(10) . . . no N1 C5 H9 95.8(8) . . . no N1 C5 H9 95.8(8) . . . no C1 C5 C2 37.26(5) . . . ? C1 C5 C3 48.02(8) . . . ? C1 C5 C4 19.90(11) . . . ? C1 C5 C7 40.04(6) . . . ? C1 C5 C8 52.69(6) . . . ? C1 C5 C8 52.69(6) . . . ? C1 C5 H2 111.9(6) . . . no C1 C5 H2 111.9(6) . . . no C1 C5 H4 68.2(10) . . . no C1 C5 H5 131.9(31) . . . no C1 C5 H6 102.3(30) . . . no C1 C5 H6 102.3(30) . . . no C1 C5 H7 53.1(4) . . . no C1 C5 H7 53.1(4) . . . no C1 C5 H8 114.0(10) . . . no C1 C5 H8 114.0(10) . . . no C1 C5 H9 100.0(7) . . . no C1 C5 H9 100.0(7) . . . no C2 C5 C3 10.75(6) . . . ? C2 C5 C4 17.37(10) . . . ? C2 C5 C7 77.30(8) . . . ? C2 C5 C8 87.19(8) . . . ? C2 C5 C8 87.19(8) . . . ? C2 C5 H2 89.1(5) . . . no C2 C5 H2 89.1(5) . . . no C2 C5 H4 31.0(10) . . . no C2 C5 H5 94.7(31) . . . no C2 C5 H6 122.2(24) . . . no C2 C5 H6 122.1(24) . . . no C2 C5 H7 81.5(4) . . . no C2 C5 H7 81.5(4) . . . no C2 C5 H8 144.3(9) . . . no C2 C5 H8 144.3(9) . . . no C2 C5 H9 113.6(6) . . . no C2 C5 H9 113.7(6) . . . no C3 C5 C4 28.12(10) . . . ? C3 C5 C7 88.06(10) . . . ? C3 C5 C8 97.28(10) . . . ? C3 C5 C8 97.28(10) . . . ? C3 C5 H2 82.3(5) . . . no C3 C5 H2 82.3(5) . . . no C3 C5 H4 20.2(10) . . . no C3 C5 H5 83.9(31) . . . no C3 C5 H6 126.0(22) . . . no C3 C5 H6 126.0(22) . . . no C3 C5 H7 90.2(4) . . . no C3 C5 H7 90.2(4) . . . no C3 C5 H8 150.7(8) . . . no C3 C5 H8 150.7(8) . . . no C3 C5 H9 116.0(5) . . . no C3 C5 H9 116.0(5) . . . no C4 C5 C7 59.94(13) . . . ? C4 C5 C8 70.95(13) . . . ? C4 C5 C8 70.95(13) . . . ? C4 C5 H2 100.1(5) . . . no C4 C5 H2 100.1(5) . . . no C4 C5 H4 48.3(10) . . . no C4 C5 H5 112.0(31) . . . no C4 C5 H6 113.8(28) . . . no C4 C5 H6 113.8(28) . . . no C4 C5 H7 67.7(4) . . . no C4 C5 H7 67.7(4) . . . no C4 C5 H8 131.1(9) . . . no C4 C5 H8 131.1(9) . . . no C4 C5 H9 108.1(6) . . . no C4 C5 H9 108.1(6) . . . no C7 C5 C8 22.40(5) . . . ? C7 C5 C8 22.40(5) . . . ? C7 C5 H2 128.1(6) . . . no C7 C5 H2 128.1(6) . . . no C7 C5 H4 108.3(10) . . . no C7 C5 H5 172.0(31) . . . no C7 C5 H6 77.2(31) . . . no C7 C5 H6 77.2(31) . . . no C7 C5 H7 35.8(5) . . . no C7 C5 H7 35.8(5) . . . no C7 C5 H8 78.0(10) . . . no C7 C5 H8 78.0(10) . . . no C7 C5 H9 81.5(8) . . . no C7 C5 H9 81.5(8) . . . no C8 C5 C8 40.58(8) . . . ? C8 C5 H2 149.6(6) . . . no C8 C5 H2 109.1(6) . . . no C8 C5 H4 116.1(9) . . . no C8 C5 H5 159.6(2) . . . no C8 C5 H6 55.5(32) . . . no C8 C5 H6 88.2(29) . . . no C8 C5 H7 16.8(4) . . . no C8 C5 H7 56.5(5) . . . no C8 C5 H8 79.5(9) . . . no C8 C5 H8 61.4(10) . . . no C8 C5 H9 95.7(7) . . . no C8 C5 H9 59.2(8) . . . no C8 C5 H2 109.1(6) 2_755 2_755 2_755 no C8 C5 H2 149.6(6) 2_755 2_755 2_755 no C8 C5 H4 116.1(9) 2_755 2_755 2_755 no C8 C5 H5 159.6(2) 2_755 2_755 2_755 no C8 C5 H6 88.2(29) 2_755 2_755 2_755 no C8 C5 H6 55.5(32) 2_755 2_755 2_755 no C8 C5 H7 56.5(5) 2_755 2_755 2_755 no C8 C5 H7 16.8(4) 2_755 2_755 2_755 no C8 C5 H8 61.4(10) 2_755 2_755 2_755 no C8 C5 H8 79.5(9) 2_755 2_755 2_755 no C8 C5 H9 59.2(8) 2_755 2_755 2_755 no C8 C5 H9 95.8(7) 2_755 2_755 2_755 no H2 C5 H2 101.0(12) 4_464 4_464 4_464 no H2 C5 H4 70.1(7) 4_464 4_464 4_464 no H2 C5 H5 50.8(6) 4_464 4_464 4_464 no H2 C5 H6 145.6(30) 4_464 4_464 4_464 no H2 C5 H6 68.5(25) 4_464 4_464 4_464 no H2 C5 H7 162.9(8) 4_464 4_464 4_464 no H2 C5 H7 93.1(8) 4_464 4_464 4_464 no H2 C5 H8 86.2(9) 4_464 4_464 4_464 no H2 C5 H8 126.5(9) 4_464 4_464 4_464 no H2 C5 H9 58.5(8) 4_464 4_464 4_464 no H2 C5 H9 147.3(10) 4_464 4_464 4_464 no H2 C5 H4 70.1(7) 3_764 3_764 3_764 no H2 C5 H5 50.8(6) 3_764 3_764 3_764 no H2 C5 H6 68.5(25) 3_764 3_764 3_764 no H2 C5 H6 145.6(30) 3_764 3_764 3_764 no H2 C5 H7 93.1(8) 3_764 3_764 3_764 no H2 C5 H7 162.9(8) 3_764 3_764 3_764 no H2 C5 H8 126.5(9) 3_764 3_764 3_764 no H2 C5 H8 86.2(9) 3_764 3_764 3_764 no H2 C5 H9 147.3(10) 3_764 3_764 3_764 no H2 C5 H9 58.5(8) 3_764 3_764 3_764 no H4 C5 H5 63.7(32) . . . no H4 C5 H6 129.4(20) . . . no H4 C5 H6 129.4(20) . . . no H4 C5 H7 106.5(8) . . . no H4 C5 H7 106.5(8) . . . no H4 C5 H8 154.2(8) . . . no H4 C5 H8 154.2(8) . . . no H4 C5 H9 117.9(5) . . . no H4 C5 H9 117.9(5) . . . no H5 C5 H6 107.6(34) . . . no H5 C5 H6 107.6(34) . . . no H5 C5 H7 143.8(6) . . . no H5 C5 H7 143.8(6) . . . no H5 C5 H8 109.2(30) . . . no H5 C5 H8 109.2(30) . . . no H5 C5 H9 102.0(15) . . . no H5 C5 H9 102.0(15) . . . no H6 C5 H6 101.1(40) . . . no H6 C5 H7 49.5(31) . . . no H6 C5 H7 104.7(29) . . . no H6 C5 H8 76.2(21) . . . no H6 C5 H8 25.8(22) . . . no H6 C5 H9 112.7(20) . . . no H6 C5 H9 11.6(21) . . . no H6 C5 H7 104.6(29) 2_755 2_755 2_755 no H6 C5 H7 49.5(31) 2_755 2_755 2_755 no H6 C5 H8 25.8(22) 2_755 2_755 2_755 no H6 C5 H8 76.2(21) 2_755 2_755 2_755 no H6 C5 H9 11.6(21) 2_755 2_755 2_755 no H6 C5 H9 112.7(20) 2_755 2_755 2_755 no H7 C5 H7 71.5(9) . . . no H7 C5 H8 93.2(9) . . . no H7 C5 H8 63.5(10) . . . no H7 C5 H9 112.5(8) . . . no H7 C5 H9 49.5(9) . . . no H7 C5 H8 63.5(10) 2_755 2_755 2_755 no H7 C5 H8 93.2(9) 2_755 2_755 2_755 no H7 C5 H9 49.5(9) 2_755 2_755 2_755 no H7 C5 H9 112.5(8) 2_755 2_755 2_755 no H8 C5 H8 50.8(14) 4_454 4_454 4_454 no H8 C5 H9 36.9(9) 4_454 4_454 4_454 no H8 C5 H9 87.6(8) 4_454 4_454 4_454 no H8 C5 H9 87.6(8) 3_754 3_754 3_754 no H8 C5 H9 36.9(9) 3_754 3_754 3_754 no H9 C5 H9 124.2(10) 3_654 3_654 3_654 no CL1 C6 CL1 167.98(7) 3_764 3_764 3_764 ? CL1 C6 O1 82.86(7) 3_764 3_764 3_764 ? CL1 C6 O1 82.85(7) 3_764 3_764 3_764 ? CL1 C6 N2 137.25(12) 3_764 3_764 3_764 ? CL1 C6 C1 129.40(9) 3_764 3_764 3_764 ? CL1 C6 C1 65.39(6) 3_764 3_764 3_764 ? CL1 C6 C1 65.39(6) 3_764 3_764 3_764 ? CL1 C6 C2 107.3(2) 3_764 3_764 3_764 ? CL1 C6 C3 80.79(11) 3_764 3_764 3_764 ? CL1 C6 C4 91.87(8) 3_764 3_764 3_764 ? CL1 C6 C8 56.49(6) 3_764 3_764 3_764 ? CL1 C6 C8 56.49(6) 3_764 3_764 3_764 ? CL1 C6 H1 163.5(13) 3_764 3_764 3_764 no CL1 C6 H2 113.0(22) 3_764 3_764 3_764 no CL1 C6 H2 113.0(22) 3_764 3_764 3_764 no CL1 C6 H3 4.7(28) 3_764 3_764 3_764 no CL1 C6 H4 61.8(9) 3_764 3_764 3_764 no CL1 C6 H5 111.3(8) 3_764 3_764 3_764 no CL1 C6 H5 111.3(8) 3_764 3_764 3_764 no CL1 C6 H7 45.1(5) 3_764 3_764 3_764 no CL1 C6 H7 45.1(5) 3_764 3_764 3_764 no CL1 C6 O1 97.41(7) 3_765 3_765 3_765 ? CL1 C6 O1 97.42(7) 3_765 3_765 3_765 ? CL1 C6 N2 54.77(10) 3_765 3_765 3_765 ? CL1 C6 C1 62.62(7) 3_765 3_765 3_765 ? CL1 C6 C1 115.83(6) 3_765 3_765 3_765 ? CL1 C6 C1 115.84(6) 3_765 3_765 3_765 ? CL1 C6 C2 84.7(2) 3_765 3_765 3_765 ? CL1 C6 C3 111.23(11) 3_765 3_765 3_765 ? CL1 C6 C4 100.15(7) 3_765 3_765 3_765 ? CL1 C6 C8 114.31(8) 3_765 3_765 3_765 ? CL1 C6 C8 114.31(8) 3_765 3_765 3_765 ? CL1 C6 H1 28.5(13) 3_765 3_765 3_765 no CL1 C6 H2 60.6(22) 3_765 3_765 3_765 no CL1 C6 H2 60.5(22) 3_765 3_765 3_765 no CL1 C6 H3 163.2(28) 3_765 3_765 3_765 no CL1 C6 H4 130.2(9) 3_765 3_765 3_765 no CL1 C6 H5 64.9(8) 3_765 3_765 3_765 no CL1 C6 H5 64.9(8) 3_765 3_765 3_765 no CL1 C6 H7 124.6(5) 3_765 3_765 3_765 no CL1 C6 H7 124.7(5) 3_765 3_765 3_765 no O1 C6 O1 165.1(1) 3_664 3_664 3_664 ? O1 C6 N2 93.87(6) 3_664 3_664 3_664 ? O1 C6 C1 92.97(6) 3_664 3_664 3_664 ? O1 C6 C1 18.58(5) 3_664 3_664 3_664 ? O1 C6 C1 146.59(13) 3_664 3_664 3_664 ? O1 C6 C2 90.21(6) 3_664 3_664 3_664 ? O1 C6 C3 86.88(6) 3_664 3_664 3_664 ? O1 C6 C4 88.23(6) 3_664 3_664 3_664 ? O1 C6 C8 52.80(6) 3_664 3_664 3_664 ? O1 C6 C8 120.69(9) 3_664 3_664 3_664 ? O1 C6 H1 96.28(11) 3_664 3_664 3_664 no O1 C6 H2 144.9(17) 3_664 3_664 3_664 no O1 C6 H2 46.9(18) 3_664 3_664 3_664 no O1 C6 H3 83.0(1) 3_664 3_664 3_664 no O1 C6 H4 84.86(11) 3_664 3_664 3_664 no O1 C6 H5 36.1(8) 3_664 3_664 3_664 no O1 C6 H5 157.1(7) 3_664 3_664 3_664 no O1 C6 H7 62.5(5) 3_664 3_664 3_664 no O1 C6 H7 109.1(5) 3_664 3_664 3_664 no O1 C6 N2 93.88(6) 3_764 3_764 3_764 ? O1 C6 C1 92.98(6) 3_764 3_764 3_764 ? O1 C6 C1 146.58(13) 3_764 3_764 3_764 ? O1 C6 C1 18.58(5) 3_764 3_764 3_764 ? O1 C6 C2 90.21(6) 3_764 3_764 3_764 ? O1 C6 C3 86.87(6) 3_764 3_764 3_764 ? O1 C6 C4 88.22(6) 3_764 3_764 3_764 ? O1 C6 C8 120.69(9) 3_764 3_764 3_764 ? O1 C6 C8 52.79(6) 3_764 3_764 3_764 ? O1 C6 H1 96.28(11) 3_764 3_764 3_764 no O1 C6 H2 46.9(18) 3_764 3_764 3_764 no O1 C6 H2 144.9(17) 3_764 3_764 3_764 no O1 C6 H3 83.0(1) 3_764 3_764 3_764 no O1 C6 H4 84.85(11) 3_764 3_764 3_764 no O1 C6 H5 157.1(7) 3_764 3_764 3_764 no O1 C6 H5 36.1(8) 3_764 3_764 3_764 no O1 C6 H7 109.1(5) 3_764 3_764 3_764 no O1 C6 H7 62.5(5) 3_764 3_764 3_764 no N2 C6 C1 7.85(7) . . . ? N2 C6 C1 102.30(6) . . . ? N2 C6 C1 102.31(6) . . . ? N2 C6 C2 29.93(13) . . . ? N2 C6 C3 56.46(9) . . . ? N2 C6 C4 45.39(7) . . . ? N2 C6 C8 145.42(5) . . . ? N2 C6 C8 145.42(5) . . . ? N2 C6 H1 26.3(13) . . . no N2 C6 H2 93.9(20) . . . no N2 C6 H2 93.9(20) . . . no N2 C6 H3 142.0(28) . . . no N2 C6 H4 75.5(9) . . . no N2 C6 H5 87.4(8) . . . no N2 C6 H5 87.4(8) . . . no N2 C6 H7 156.4(5) . . . no N2 C6 H7 156.4(5) . . . no C1 C6 C1 99.13(4) . . . ? C1 C6 C1 99.14(4) . . . ? C1 C6 C2 22.1(1) . . . ? C1 C6 C3 48.61(8) . . . ? C1 C6 C4 37.53(5) . . . ? C1 C6 C8 145.71(4) . . . ? C1 C6 C8 145.71(4) . . . ? C1 C6 H1 34.1(13) . . . no C1 C6 H2 99.0(19) . . . no C1 C6 H2 99.0(19) . . . no C1 C6 H3 134.1(28) . . . no C1 C6 H4 67.6(9) . . . no C1 C6 H5 91.3(8) . . . no C1 C6 H5 91.3(8) . . . no C1 C6 H7 154.3(5) . . . no C1 C6 H7 154.3(5) . . . no C1 C6 C1 128.01(12) 3_664 3_664 3_664 ? C1 C6 C2 89.63(9) 3_664 3_664 3_664 ? C1 C6 C3 78.38(7) 3_664 3_664 3_664 ? C1 C6 C4 82.94(6) 3_664 3_664 3_664 ? C1 C6 C8 49.37(5) 3_664 3_664 3_664 ? C1 C6 C8 111.08(9) 3_664 3_664 3_664 ? C1 C6 H1 111.1(4) 3_664 3_664 3_664 no C1 C6 H2 156.2(16) 3_664 3_664 3_664 no C1 C6 H2 63.5(20) 3_664 3_664 3_664 no C1 C6 H3 66.2(5) 3_664 3_664 3_664 no C1 C6 H4 71.5(3) 3_664 3_664 3_664 no C1 C6 H5 54.0(8) 3_664 3_664 3_664 no C1 C6 H5 168.5(7) 3_664 3_664 3_664 no C1 C6 H7 55.1(5) 3_664 3_664 3_664 no C1 C6 H7 98.3(5) 3_664 3_664 3_664 no C1 C6 C2 89.63(9) 3_764 3_764 3_764 ? C1 C6 C3 78.37(7) 3_764 3_764 3_764 ? C1 C6 C4 82.94(6) 3_764 3_764 3_764 ? C1 C6 C8 111.07(9) 3_764 3_764 3_764 ? C1 C6 C8 49.37(5) 3_764 3_764 3_764 ? C1 C6 H1 111.1(4) 3_764 3_764 3_764 no C1 C6 H2 63.5(20) 3_764 3_764 3_764 no C1 C6 H2 156.2(16) 3_764 3_764 3_764 no C1 C6 H3 66.2(5) 3_764 3_764 3_764 no C1 C6 H4 71.5(3) 3_764 3_764 3_764 no C1 C6 H5 168.5(7) 3_764 3_764 3_764 no C1 C6 H5 54.0(8) 3_764 3_764 3_764 no C1 C6 H7 98.3(5) 3_764 3_764 3_764 no C1 C6 H7 55.1(5) 3_764 3_764 3_764 no C2 C6 C3 26.53(13) . . . ? C2 C6 C4 15.5(1) . . . ? C2 C6 C8 138.78(12) . . . ? C2 C6 C8 138.78(12) . . . ? C2 C6 H1 56.2(13) . . . no C2 C6 H2 112.5(17) . . . no C2 C6 H2 112.5(17) . . . no C2 C6 H3 112.1(28) . . . no C2 C6 H4 45.5(9) . . . no C2 C6 H5 101.8(7) . . . no C2 C6 H5 101.8(7) . . . no C2 C6 H7 140.3(5) . . . no C2 C6 H7 140.3(5) . . . no C3 C6 C4 11.08(7) . . . ? C3 C6 C8 121.29(11) . . . ? C3 C6 C8 121.29(11) . . . ? C3 C6 H1 82.7(13) . . . no C3 C6 H2 125.4(15) . . . no C3 C6 H2 125.4(15) . . . no C3 C6 H3 85.5(28) . . . no C3 C6 H4 19.0(8) . . . no C3 C6 H5 112.4(7) . . . no C3 C6 H5 112.4(7) . . . no C3 C6 H7 117.7(5) . . . no C3 C6 H7 117.7(5) . . . no C4 C6 C8 129.30(8) . . . ? C4 C6 C8 129.30(8) . . . ? C4 C6 H1 71.7(13) . . . no C4 C6 H2 120.7(16) . . . no C4 C6 H2 120.7(16) . . . no C4 C6 H3 96.6(28) . . . no C4 C6 H4 30.1(9) . . . no C4 C6 H5 108.4(7) . . . no C4 C6 H5 108.4(7) . . . no C4 C6 H7 127.5(5) . . . no C4 C6 H7 127.5(5) . . . no C8 C6 C8 68.43(8) 4_464 4_464 4_464 ? C8 C6 H1 134.7(8) 4_464 4_464 4_464 no C8 C6 H2 108.6(17) 4_464 4_464 4_464 no C8 C6 H2 57.9(21) 4_464 4_464 4_464 no C8 C6 H3 53.1(20) 4_464 4_464 4_464 no C8 C6 H4 106.4(7) 4_464 4_464 4_464 no C8 C6 H5 60.6(8) 4_464 4_464 4_464 no C8 C6 H5 119.3(7) 4_464 4_464 4_464 no C8 C6 H7 13.0(5) 4_464 4_464 4_464 no C8 C6 H7 58.2(5) 4_464 4_464 4_464 no C8 C6 H1 134.7(8) 3_764 3_764 3_764 no C8 C6 H2 57.9(21) 3_764 3_764 3_764 no C8 C6 H2 108.6(17) 3_764 3_764 3_764 no C8 C6 H3 53.1(20) 3_764 3_764 3_764 no C8 C6 H4 106.4(7) 3_764 3_764 3_764 no C8 C6 H5 119.3(7) 3_764 3_764 3_764 no C8 C6 H5 60.6(8) 3_764 3_764 3_764 no C8 C6 H7 58.2(5) 3_764 3_764 3_764 no C8 C6 H7 13.0(5) 3_764 3_764 3_764 no H1 C6 H2 76.9(23) . . . no H1 C6 H2 76.9(23) . . . no H1 C6 H3 168.3(33) . . . no H1 C6 H4 101.7(17) . . . no H1 C6 H5 75.2(10) . . . no H1 C6 H5 75.2(10) . . . no H1 C6 H7 147.5(11) . . . no H1 C6 H7 147.5(11) . . . no H2 C6 H2 98.4(35) . . . no H2 C6 H3 110.3(26) . . . no H2 C6 H4 130.2(17) . . . no H2 C6 H5 110.3(20) . . . no H2 C6 H5 13.1(17) . . . no H2 C6 H7 105.7(19) . . . no H2 C6 H7 70.6(22) . . . no H2 C6 H3 110.3(26) 2_755 2_755 2_755 no H2 C6 H4 130.2(17) 2_755 2_755 2_755 no H2 C6 H5 13.1(17) 2_755 2_755 2_755 no H2 C6 H5 110.3(20) 2_755 2_755 2_755 no H2 C6 H7 70.6(22) 2_755 2_755 2_755 no H2 C6 H7 105.7(19) 2_755 2_755 2_755 no H3 C6 H4 66.5(28) . . . no H3 C6 H5 109.6(14) . . . no H3 C6 H5 109.6(14) . . . no H3 C6 H7 41.2(23) . . . no H3 C6 H7 41.2(23) . . . no H4 C6 H5 117.4(7) . . . no H4 C6 H5 117.4(7) . . . no H4 C6 H7 100.5(10) . . . no H4 C6 H7 100.5(10) . . . no H5 C6 H5 121.4(15) 3_665 3_665 3_665 no H5 C6 H7 73.6(10) 3_665 3_665 3_665 no H5 C6 H7 114.3(9) 3_665 3_665 3_665 no H5 C6 H7 114.3(9) 3_765 3_765 3_765 no H5 C6 H7 73.6(10) 3_765 3_765 3_765 no H7 C6 H7 46.9(10) 4_464 4_464 4_464 no O1 C7 N1 58.44(12) . . . ? O1 C7 N2 38.37(6) . . . ? O1 C7 C1 26.84(8) . . . ? O1 C7 C3 75.40(7) . . . ? O1 C7 C4 86.31(9) . . . ? O1 C7 C5 117.64(9) . . . ? O1 C7 C8 103.2(2) . . . ? O1 C7 C8 103.2(2) . . . ? O1 C7 C9 115.38(13) . . . ? O1 C7 C9 115.38(13) . . . ? O1 C7 C10 120.4(2) . . . ? O1 C7 H2 45.1(4) . . . no O1 C7 H2 45.1(4) . . . no O1 C7 H5 115.7(7) . . . no O1 C7 H5 37.1(7) . . . no O1 C7 H6 127.6(6) . . . no O1 C7 H6 127.6(6) . . . no O1 C7 H7 91.6(7) . . . no O1 C7 H7 91.6(7) . . . no O1 C7 H8 112.0(9) . . . no O1 C7 H8 156.9(6) . . . no O1 C7 H8 156.9(6) . . . no O1 C7 H8 112.0(9) . . . no O1 C7 H9 123.4(8) . . . no N1 C7 N2 20.07(10) . . . ? N1 C7 C1 31.60(11) . . . ? N1 C7 C3 16.96(11) . . . ? N1 C7 C4 27.86(10) . . . ? N1 C7 C5 59.20(13) . . . ? N1 C7 C8 118.79(11) . . . ? N1 C7 C8 118.79(11) . . . ? N1 C7 C9 150.12(8) . . . ? N1 C7 C9 150.12(8) . . . ? N1 C7 C10 178.8(2) . . . ? N1 C7 H2 81.5(4) . . . no N1 C7 H2 81.5(4) . . . no N1 C7 H5 57.2(7) . . . no N1 C7 H5 95.6(7) . . . no N1 C7 H6 71.3(6) . . . no N1 C7 H6 71.3(6) . . . no N1 C7 H7 93.8(6) . . . no N1 C7 H7 93.8(6) . . . no N1 C7 H8 141.8(7) . . . no N1 C7 H8 110.7(7) . . . no N1 C7 H8 110.7(7) . . . no N1 C7 H8 141.8(7) . . . no N1 C7 H9 178.1(8) . . . no N2 C7 C1 11.53(7) . . . ? N2 C7 C3 37.03(6) . . . ? N2 C7 C4 47.93(7) . . . ? N2 C7 C5 79.27(7) . . . ? N2 C7 C8 116.28(12) . . . ? N2 C7 C8 116.28(12) . . . ? N2 C7 C9 143.54(11) . . . ? N2 C7 C9 143.54(11) . . . ? N2 C7 C10 158.7(2) . . . ? N2 C7 H2 67.0(4) . . . no N2 C7 H2 67.0(4) . . . no N2 C7 H5 77.3(7) . . . no N2 C7 H5 75.5(7) . . . no N2 C7 H6 90.7(6) . . . no N2 C7 H6 90.7(6) . . . no N2 C7 H7 93.4(6) . . . no N2 C7 H7 93.4(6) . . . no N2 C7 H8 136.3(8) . . . no N2 C7 H8 128.9(7) . . . no N2 C7 H8 128.9(7) . . . no N2 C7 H8 136.3(8) . . . no N2 C7 H9 161.8(8) . . . no C1 C7 C3 48.56(8) . . . ? C1 C7 C4 59.46(9) . . . ? C1 C7 C5 90.80(10) . . . ? C1 C7 C8 113.30(13) . . . ? C1 C7 C8 113.30(13) . . . ? C1 C7 C9 136.31(13) . . . ? C1 C7 C9 136.30(13) . . . ? C1 C7 C10 147.2(2) . . . ? C1 C7 H2 59.2(4) . . . no C1 C7 H2 59.2(4) . . . no C1 C7 H5 88.8(7) . . . no C1 C7 H5 64.0(7) . . . no C1 C7 H6 101.9(6) . . . no C1 C7 H6 101.9(6) . . . no C1 C7 H7 93.0(6) . . . no C1 C7 H7 93.0(6) . . . no C1 C7 H8 130.3(8) . . . no C1 C7 H8 138.9(7) . . . no C1 C7 H8 138.9(7) . . . no C1 C7 H8 130.3(8) . . . no C1 C7 H9 150.3(8) . . . no C3 C7 C4 10.90(6) . . . ? C3 C7 C5 42.24(7) . . . ? C3 C7 C8 117.95(12) . . . ? C3 C7 C8 117.96(12) . . . ? C3 C7 C9 146.92(9) . . . ? C3 C7 C9 146.92(9) . . . ? C3 C7 C10 164.2(2) . . . ? C3 C7 H2 94.3(4) . . . no C3 C7 H2 94.3(4) . . . no C3 C7 H5 40.3(7) . . . no C3 C7 H5 112.5(7) . . . no C3 C7 H6 55.0(6) . . . no C3 C7 H6 55.0(6) . . . no C3 C7 H7 93.8(7) . . . no C3 C7 H7 93.8(7) . . . no C3 C7 H8 139.8(8) . . . no C3 C7 H8 95.0(7) . . . no C3 C7 H8 95.0(7) . . . no C3 C7 H8 139.8(8) . . . no C3 C7 H9 161.2(8) . . . no C4 C7 C5 31.34(7) . . . ? C4 C7 C8 116.02(13) . . . ? C4 C7 C8 116.03(13) . . . ? C4 C7 C9 141.29(12) . . . ? C4 C7 C9 141.29(12) . . . ? C4 C7 C10 153.3(2) . . . ? C4 C7 H2 102.4(5) . . . no C4 C7 H2 102.4(5) . . . no C4 C7 H5 29.4(7) . . . no C4 C7 H5 123.4(7) . . . no C4 C7 H6 44.7(6) . . . no C4 C7 H6 44.7(6) . . . no C4 C7 H7 93.6(8) . . . no C4 C7 H7 93.6(8) . . . no C4 C7 H8 135.6(9) . . . no C4 C7 H8 84.8(8) . . . no C4 C7 H8 84.8(8) . . . no C4 C7 H8 135.7(9) . . . no C4 C7 H9 150.3(8) . . . no C5 C7 C8 105.7(2) . . . ? C5 C7 C8 105.7(2) . . . ? C5 C7 C9 117.99(13) . . . ? C5 C7 C9 117.99(13) . . . ? C5 C7 C10 122.0(2) . . . ? C5 C7 H2 123.9(5) . . . no C5 C7 H2 123.9(5) . . . no C5 C7 H5 2.0(7) . . . no C5 C7 H5 154.8(7) . . . no C5 C7 H6 18.4(7) . . . no C5 C7 H6 18.4(7) . . . no C5 C7 H7 92.4(9) . . . no C5 C7 H7 92.4(9) . . . no C5 C7 H8 116.1(10) . . . no C5 C7 H8 56.0(8) . . . no C5 C7 H8 56.0(8) . . . no C5 C7 H8 116.1(10) . . . no C5 C7 H9 119.0(8) . . . no C8 C7 C8 122.3(2) . . . ? C8 C7 C9 31.35(12) . . . ? C8 C7 C9 91.0(2) . . . ? C8 C7 C10 61.18(11) . . . ? C8 C7 H2 128.9(6) . . . no C8 C7 H2 58.2(5) . . . no C8 C7 H5 106.5(3) . . . no C8 C7 H5 85.7(4) . . . no C8 C7 H6 87.8(7) . . . no C8 C7 H6 113.5(7) . . . no C8 C7 H7 25.0(6) . . . no C8 C7 H7 147.3(7) . . . no C8 C7 H8 23.1(8) . . . no C8 C7 H8 99.9(6) . . . no C8 C7 H8 62.3(7) . . . no C8 C7 H8 99.3(7) . . . no C8 C7 H9 61.29(11) . . . no C8 C7 C9 91.0(2) 2_755 2_755 2_755 ? C8 C7 C9 31.35(12) 2_755 2_755 2_755 ? C8 C7 C10 61.18(11) 2_755 2_755 2_755 ? C8 C7 H2 58.2(5) 2_755 2_755 2_755 no C8 C7 H2 128.9(6) 2_755 2_755 2_755 no C8 C7 H5 106.5(3) 2_755 2_755 2_755 no C8 C7 H5 85.7(4) 2_755 2_755 2_755 no C8 C7 H6 113.5(7) 2_755 2_755 2_755 no C8 C7 H6 87.8(7) 2_755 2_755 2_755 no C8 C7 H7 147.3(7) 2_755 2_755 2_755 no C8 C7 H7 25.0(6) 2_755 2_755 2_755 no C8 C7 H8 99.3(7) 2_755 2_755 2_755 no C8 C7 H8 62.3(7) 2_755 2_755 2_755 no C8 C7 H8 99.9(6) 2_755 2_755 2_755 no C8 C7 H8 23.1(8) 2_755 2_755 2_755 no C8 C7 H9 61.29(11) 2_755 2_755 2_755 no C9 C7 C9 59.6(2) . . . ? C9 C7 C10 29.83(8) . . . ? C9 C7 H2 115.7(5) . . . no C9 C7 H2 77.2(4) . . . no C9 C7 H5 119.6(6) . . . no C9 C7 H5 83.5(6) . . . no C9 C7 H6 100.4(7) . . . no C9 C7 H6 115.4(6) . . . no C9 C7 H7 56.3(6) . . . no C9 C7 H7 116.0(6) . . . no C9 C7 H8 8.3(7) . . . no C9 C7 H8 84.2(7) . . . no C9 C7 H8 62.5(8) . . . no C9 C7 H8 67.9(8) . . . no C9 C7 H9 30.04(12) . . . no C9 C7 C10 29.83(8) 2_755 2_755 2_755 ? C9 C7 H2 77.2(4) 2_755 2_755 2_755 no C9 C7 H2 115.7(5) 2_755 2_755 2_755 no C9 C7 H5 119.6(6) 2_755 2_755 2_755 no C9 C7 H5 83.5(6) 2_755 2_755 2_755 no C9 C7 H6 115.4(6) 2_755 2_755 2_755 no C9 C7 H6 100.4(7) 2_755 2_755 2_755 no C9 C7 H7 116.0(6) 2_755 2_755 2_755 no C9 C7 H7 56.3(6) 2_755 2_755 2_755 no C9 C7 H8 67.9(8) 2_755 2_755 2_755 no C9 C7 H8 62.5(8) 2_755 2_755 2_755 no C9 C7 H8 84.2(7) 2_755 2_755 2_755 no C9 C7 H8 8.3(7) 2_755 2_755 2_755 no C9 C7 H9 30.04(12) 2_755 2_755 2_755 no C10 C7 H2 97.6(4) . . . no C10 C7 H2 97.6(4) . . . no C10 C7 H5 124.0(8) . . . no C10 C7 H5 83.2(7) . . . no C10 C7 H6 109.9(6) . . . no C10 C7 H6 109.9(6) . . . no C10 C7 H7 86.2(6) . . . no C10 C7 H7 86.2(6) . . . no C10 C7 H8 38.1(7) . . . no C10 C7 H8 70.4(7) . . . no C10 C7 H8 70.4(7) . . . no C10 C7 H8 38.1(7) . . . no C10 C7 H9 3.1(8) . . . no H2 C7 H2 82.4(11) 4_465 4_465 4_465 no H2 C7 H5 122.7(7) 4_465 4_465 4_465 no H2 C7 H5 43.9(6) 4_465 4_465 4_465 no H2 C7 H6 142.3(10) 4_465 4_465 4_465 no H2 C7 H6 117.6(8) 4_465 4_465 4_465 no H2 C7 H7 131.3(10) 4_465 4_465 4_465 no H2 C7 H7 49.2(10) 4_465 4_465 4_465 no H2 C7 H8 119.3(10) 4_465 4_465 4_465 no H2 C7 H8 116.7(9) 4_465 4_465 4_465 no H2 C7 H8 158.0(7) 4_465 4_465 4_465 no H2 C7 H8 71.2(9) 4_465 4_465 4_465 no H2 C7 H9 99.8(7) 4_465 4_465 4_465 no H2 C7 H5 122.7(7) 3_765 3_765 3_765 no H2 C7 H5 43.9(6) 3_765 3_765 3_765 no H2 C7 H6 117.6(8) 3_765 3_765 3_765 no H2 C7 H6 142.3(10) 3_765 3_765 3_765 no H2 C7 H7 49.2(10) 3_765 3_765 3_765 no H2 C7 H7 131.3(10) 3_765 3_765 3_765 no H2 C7 H8 71.2(9) 3_765 3_765 3_765 no H2 C7 H8 158.0(7) 3_765 3_765 3_765 no H2 C7 H8 116.7(9) 3_765 3_765 3_765 no H2 C7 H8 119.3(10) 3_765 3_765 3_765 no H2 C7 H9 99.8(7) 3_765 3_765 3_765 no H5 C7 H5 152.8(14) . . . no H5 C7 H6 19.6(7) . . . no H5 C7 H6 19.6(7) . . . no H5 C7 H7 92.5(9) . . . no H5 C7 H7 92.5(9) . . . no H5 C7 H8 117.5(11) . . . no H5 C7 H8 57.8(10) . . . no H5 C7 H8 57.8(10) . . . no H5 C7 H8 117.5(11) . . . no H5 C7 H9 120.9(11) . . . no H5 C7 H6 160.1(9) 1_556 1_556 1_556 no H5 C7 H6 160.1(9) 1_556 1_556 1_556 no H5 C7 H7 89.1(9) 1_556 1_556 1_556 no H5 C7 H7 89.1(9) 1_556 1_556 1_556 no H5 C7 H8 83.1(12) 1_556 1_556 1_556 no H5 C7 H8 145.4(10) 1_556 1_556 1_556 no H5 C7 H8 145.4(10) 1_556 1_556 1_556 no H5 C7 H8 83.1(12) 1_556 1_556 1_556 no H5 C7 H9 86.3(11) 1_556 1_556 1_556 no H6 C7 H6 28.9(15) . . . no H6 C7 H7 77.3(12) . . . no H6 C7 H7 106.2(12) . . . no H6 C7 H8 97.9(11) . . . no H6 C7 H8 54.3(10) . . . no H6 C7 H8 40.1(9) . . . no H6 C7 H8 116.5(12) . . . no H6 C7 H9 106.9(10) . . . no H6 C7 H7 106.2(12) 2_755 2_755 2_755 no H6 C7 H7 77.3(12) 2_755 2_755 2_755 no H6 C7 H8 116.5(12) 2_755 2_755 2_755 no H6 C7 H8 40.1(9) 2_755 2_755 2_755 no H6 C7 H8 54.3(10) 2_755 2_755 2_755 no H6 C7 H8 97.9(11) 2_755 2_755 2_755 no H6 C7 H9 106.9(10) 2_755 2_755 2_755 no H7 C7 H7 172.3(13) . . . no H7 C7 H8 48.1(10) . . . no H7 C7 H8 110.3(9) . . . no H7 C7 H8 67.7(11) . . . no H7 C7 H8 124.3(10) . . . no H7 C7 H9 86.2(6) . . . no H7 C7 H8 124.3(10) 2_755 2_755 2_755 no H7 C7 H8 67.8(11) 2_755 2_755 2_755 no H7 C7 H8 110.3(9) 2_755 2_755 2_755 no H7 C7 H8 48.1(10) 2_755 2_755 2_755 no H7 C7 H9 86.2(6) 2_755 2_755 2_755 no H8 C7 H8 89.1(5) . . . no H8 C7 H8 62.3(5) . . . no H8 C7 H8 76.2(15) . . . no H8 C7 H9 38.4(7) . . . no H8 C7 H8 42.6(13) 4_454 4_454 4_454 no H8 C7 H8 62.3(5) 4_454 4_454 4_454 no H8 C7 H9 67.6(11) 4_454 4_454 4_454 no H8 C7 H8 89.1(5) 3_754 3_754 3_754 no H8 C7 H9 67.6(11) 3_754 3_754 3_754 no H8 C7 H9 38.4(7) 2_755 2_755 2_755 no CL1 C8 O1 86.09(5) . . . ? CL1 C8 N1 69.41(5) . . . ? CL1 C8 C1 72.33(5) . . . ? CL1 C8 C4 59.16(4) . . . ? CL1 C8 C5 64.58(5) . . . ? CL1 C8 C6 58.49(7) . . . ? CL1 C8 C7 99.68(12) . . . ? CL1 C8 C8 127.68(4) . . . ? CL1 C8 C9 139.8(2) . . . ? CL1 C8 C9 78.29(7) . . . ? CL1 C8 C9 155.21(11) . . . ? CL1 C8 C10 162.7(2) . . . ? CL1 C8 C10 62.63(6) . . . ? CL1 C8 H2 72.4(6) . . . no CL1 C8 H3 44.6(14) . . . no CL1 C8 H5 112.2(6) . . . no CL1 C8 H6 60.1(6) . . . no CL1 C8 H6 79.1(6) . . . no CL1 C8 H7 24.8(18) . . . no CL1 C8 H7 119.1(5) . . . no CL1 C8 H7 44.3(4) . . . no CL1 C8 H8 117.6(12) . . . no CL1 C8 H8 82.1(7) . . . no CL1 C8 H8 155.9(8) . . . no CL1 C8 H9 155.1(6) . . . no CL1 C8 H9 49.5(6) . . . no O1 C8 N1 44.19(7) . . . ? O1 C8 C1 21.50(6) . . . ? O1 C8 C4 64.69(6) . . . ? O1 C8 C5 88.78(7) . . . ? O1 C8 C6 56.13(5) . . . ? O1 C8 C7 52.81(13) . . . ? O1 C8 C8 68.54(5) . . . ? O1 C8 C9 127.4(2) . . . ? O1 C8 C9 153.63(9) . . . ? O1 C8 C9 89.66(9) . . . ? O1 C8 C10 110.9(1) . . . ? O1 C8 C10 147.64(9) . . . ? O1 C8 H2 49.4(5) . . . no O1 C8 H3 62.3(7) . . . no O1 C8 H5 36.0(7) . . . no O1 C8 H6 101.4(6) . . . no O1 C8 H6 91.5(6) . . . no O1 C8 H7 90.9(13) . . . no O1 C8 H7 62.9(4) . . . no O1 C8 H7 105.8(4) . . . no O1 C8 H8 133.4(16) . . . no O1 C8 H8 145.1(8) . . . no O1 C8 H8 89.1(7) . . . no O1 C8 H9 118.8(7) . . . no O1 C8 H9 134.5(6) . . . no N1 C8 C1 23.98(6) . . . ? N1 C8 C4 21.18(6) . . . ? N1 C8 C5 44.59(8) . . . ? N1 C8 C6 82.85(8) . . . ? N1 C8 C7 31.58(9) . . . ? N1 C8 C8 60.38(6) . . . ? N1 C8 C9 149.4(2) . . . ? N1 C8 C9 109.77(11) . . . ? N1 C8 C9 90.72(9) . . . ? N1 C8 C10 120.45(10) . . . ? N1 C8 C10 111.41(12) . . . ? N1 C8 H2 84.5(5) . . . no N1 C8 H3 79.3(7) . . . no N1 C8 H5 78.4(7) . . . no N1 C8 H6 57.4(6) . . . no N1 C8 H6 49.1(5) . . . no N1 C8 H7 89.7(14) . . . no N1 C8 H7 51.4(4) . . . no N1 C8 H7 111.1(4) . . . no N1 C8 H8 173.0(12) . . . no N1 C8 H8 101.0(8) . . . no N1 C8 H8 90.9(7) . . . no N1 C8 H9 128.6(3) . . . no N1 C8 H9 101.6(6) . . . no C1 C8 C4 43.50(6) . . . ? C1 C8 C5 68.12(7) . . . ? C1 C8 C6 63.31(5) . . . ? C1 C8 C7 43.58(10) . . . ? C1 C8 C8 68.01(4) . . . ? C1 C8 C9 146.1(2) . . . ? C1 C8 C9 132.16(10) . . . ? C1 C8 C9 95.69(9) . . . ? C1 C8 C10 122.86(11) . . . ? C1 C8 C10 128.64(11) . . . ? C1 C8 H2 62.0(5) . . . no C1 C8 H3 63.9(6) . . . no C1 C8 H5 57.4(7) . . . no C1 C8 H6 80.2(6) . . . no C1 C8 H6 73.0(5) . . . no C1 C8 H7 84.8(13) . . . no C1 C8 H7 60.1(4) . . . no C1 C8 H7 104.3(3) . . . no C1 C8 H8 154.7(16) . . . no C1 C8 H8 124.6(8) . . . no C1 C8 H8 95.4(7) . . . no C1 C8 H9 131.7(4) . . . no C1 C8 H9 116.4(6) . . . no C4 C8 C5 25.02(6) . . . ? C4 C8 C6 92.31(7) . . . ? C4 C8 C7 42.00(11) . . . ? C4 C8 C8 68.60(4) . . . ? C4 C8 C9 149.3(2) . . . ? C4 C8 C9 88.99(9) . . . ? C4 C8 C9 97.06(9) . . . ? C4 C8 C10 124.41(11) . . . ? C4 C8 C10 90.49(10) . . . ? C4 C8 H2 98.2(5) . . . no C4 C8 H3 84.4(11) . . . no C4 C8 H5 99.6(7) . . . no C4 C8 H6 36.7(6) . . . no C4 C8 H6 33.9(5) . . . no C4 C8 H7 83.1(16) . . . no C4 C8 H7 60.3(5) . . . no C4 C8 H7 103.4(4) . . . no C4 C8 H8 161.8(16) . . . no C4 C8 H8 81.1(8) . . . no C4 C8 H8 97.5(7) . . . no C4 C8 H9 130.2(6) . . . no C4 C8 H9 81.5(6) . . . no C5 C8 C6 112.83(8) . . . ? C5 C8 C7 51.9(1) . . . ? C5 C8 C8 69.71(4) . . . ? C5 C8 C9 128.2(2) . . . ? C5 C8 C9 65.38(7) . . . ? C5 C8 C9 90.95(10) . . . ? C5 C8 C10 111.1(1) . . . ? C5 C8 C10 71.08(9) . . . ? C5 C8 H2 121.4(5) . . . no C5 C8 H3 102.0(13) . . . no C5 C8 H5 121.7(6) . . . no C5 C8 H6 14.0(6) . . . no C5 C8 H6 14.6(5) . . . no C5 C8 H7 89.0(18) . . . no C5 C8 H7 63.8(6) . . . no C5 C8 H7 104.4(5) . . . no C5 C8 H8 137.0(15) . . . no C5 C8 H8 56.5(8) . . . no C5 C8 H8 91.7(8) . . . no C5 C8 H9 113.8(8) . . . no C5 C8 H9 65.6(6) . . . no C6 C8 C7 106.4(1) 3_765 3_765 3_765 ? C6 C8 C8 124.22(4) 3_765 3_765 3_765 ? C6 C8 C9 118.0(2) 3_765 3_765 3_765 ? C6 C8 C9 127.66(8) 3_765 3_765 3_765 ? C6 C8 C9 135.85(13) 3_765 3_765 3_765 ? C6 C8 C10 133.4(2) 3_765 3_765 3_765 ? C6 C8 C10 107.95(7) 3_765 3_765 3_765 ? C6 C8 H2 14.3(6) 3_765 3_765 3_765 no C6 C8 H3 13.9(14) 3_765 3_765 3_765 no C6 C8 H5 59.6(4) 3_765 3_765 3_765 no C6 C8 H6 115.1(6) 3_765 3_765 3_765 no C6 C8 H6 125.6(5) 3_765 3_765 3_765 no C6 C8 H7 44.6(17) 3_765 3_765 3_765 no C6 C8 H7 119.1(4) 3_765 3_765 3_765 no C6 C8 H7 51.5(5) 3_765 3_765 3_765 no C6 C8 H8 100.7(13) 3_765 3_765 3_765 no C6 C8 H8 136.5(7) 3_765 3_765 3_765 no C6 C8 H8 135.0(8) 3_765 3_765 3_765 no C6 C8 H9 132.9(8) 3_765 3_765 3_765 no C6 C8 H9 98.5(5) 3_765 3_765 3_765 no C7 C8 C8 28.84(11) . . . ? C7 C8 C9 117.8(2) . . . ? C7 C8 C9 108.8(2) . . . ? C7 C8 C9 59.17(12) . . . ? C7 C8 C10 88.88(13) . . . ? C7 C8 C10 121.2(2) . . . ? C7 C8 H2 102.1(5) . . . no C7 C8 H3 107.2(6) . . . no C7 C8 H5 73.9(5) . . . no C7 C8 H6 65.5(6) . . . no C7 C8 H6 45.8(7) . . . no C7 C8 H7 121.2(14) . . . no C7 C8 H7 19.9(4) . . . no C7 C8 H7 142.7(4) . . . no C7 C8 H8 141.7(12) . . . no C7 C8 H8 97.0(8) . . . no C7 C8 H8 59.3(7) . . . no C7 C8 H9 97.0(3) . . . no C7 C8 H9 117.5(6) . . . no C8 C8 C9 89.0(2) 2_755 2_755 2_755 ? C8 C8 C9 104.75(6) 2_755 2_755 2_755 ? C8 C8 C9 30.33(6) 2_755 2_755 2_755 ? C8 C8 C10 60.07(6) 2_755 2_755 2_755 ? C8 C8 C10 123.35(5) 2_755 2_755 2_755 ? C8 C8 H2 114.3(6) 2_755 2_755 2_755 no C8 C8 H3 130.3(6) 2_755 2_755 2_755 no C8 C8 H5 72.2(3) 2_755 2_755 2_755 no C8 C8 H6 80.4(6) 2_755 2_755 2_755 no C8 C8 H6 57.8(6) 2_755 2_755 2_755 no C8 C8 H7 150.0(14) 2_755 2_755 2_755 no C8 C8 H7 8.9(4) 2_755 2_755 2_755 no C8 C8 H7 171.5(4) 2_755 2_755 2_755 no C8 C8 H8 112.8(12) 2_755 2_755 2_755 no C8 C8 H8 93.3(7) 2_755 2_755 2_755 no C8 C8 H8 30.5(7) 2_755 2_755 2_755 no C8 C8 H9 68.3(2) 2_755 2_755 2_755 no C8 C8 H9 127.3(5) 2_755 2_755 2_755 no C9 C8 C9 76.4(2) . . . ? C9 C8 C9 58.7(2) . . . ? C9 C8 C10 28.9(1) . . . ? C9 C8 C10 84.6(2) . . . ? C9 C8 H2 110.4(6) . . . no C9 C8 H3 126.2(10) . . . no C9 C8 H5 92.7(8) . . . no C9 C8 H6 121.7(6) . . . no C9 C8 H6 116.3(5) . . . no C9 C8 H7 121.0(14) . . . no C9 C8 H7 97.9(4) . . . no C9 C8 H7 99.5(4) . . . no C9 C8 H8 23.9(11) . . . no C9 C8 H8 79.5(8) . . . no C9 C8 H8 58.5(7) . . . no C9 C8 H9 21.1(4) . . . no C9 C8 H9 97.3(6) . . . no C9 C8 C9 95.66(9) 3_754 3_754 3_754 ? C9 C8 C10 84.7(2) 3_754 3_754 3_754 ? C9 C8 C10 19.72(5) 3_754 3_754 3_754 ? C9 C8 H2 140.3(6) 3_754 3_754 3_754 no C9 C8 H3 116.0(11) 3_754 3_754 3_754 no C9 C8 H5 168.8(7) 3_754 3_754 3_754 no C9 C8 H6 52.3(6) 3_754 3_754 3_754 no C9 C8 H6 64.9(6) 3_754 3_754 3_754 no C9 C8 H7 83.8(16) 3_754 3_754 3_754 no C9 C8 H7 106.7(5) 3_754 3_754 3_754 no C9 C8 H7 77.4(5) 3_754 3_754 3_754 no C9 C8 H8 73.0(15) 3_754 3_754 3_754 no C9 C8 H8 12.0(7) 3_754 3_754 3_754 no C9 C8 H8 96.5(8) 3_754 3_754 3_754 no C9 C8 H9 78.8(8) 3_754 3_754 3_754 no C9 C8 H9 30.3(5) 3_754 3_754 3_754 no C9 C8 C10 29.74(6) 2_755 2_755 2_755 ? C9 C8 C10 114.97(11) 2_755 2_755 2_755 ? C9 C8 H2 121.8(6) 2_755 2_755 2_755 no C9 C8 H3 148.4(12) 2_755 2_755 2_755 no C9 C8 H5 76.3(4) 2_755 2_755 2_755 no C9 C8 H6 97.0(6) 2_755 2_755 2_755 no C9 C8 H6 76.6(6) 2_755 2_755 2_755 no C9 C8 H7 179.4(14) 2_755 2_755 2_755 no C9 C8 H7 39.3(4) 2_755 2_755 2_755 no C9 C8 H7 158.2(4) 2_755 2_755 2_755 no C9 C8 H8 82.5(12) 2_755 2_755 2_755 no C9 C8 H8 87.6(7) 2_755 2_755 2_755 no C9 C8 H8 0.9(9) 2_755 2_755 2_755 no C9 C8 H9 38.1(2) 2_755 2_755 2_755 no C9 C8 H9 125.5(5) 2_755 2_755 2_755 no C10 C8 C10 100.07(11) . . . ? C10 C8 H2 120.7(6) . . . no C10 C8 H3 146.2(14) . . . no C10 C8 H5 84.5(6) . . . no C10 C8 H6 111.4(6) . . . no C10 C8 H6 96.8(5) . . . no C10 C8 H7 149.9(14) . . . no C10 C8 H7 69.0(4) . . . no C10 C8 H7 128.4(4) . . . no C10 C8 H8 52.8(12) . . . no C10 C8 H8 81.9(8) . . . no C10 C8 H8 29.6(7) . . . no C10 C8 H9 8.8(4) . . . no C10 C8 H9 113.2(6) . . . no C10 C8 H2 120.7(6) 3_754 3_754 3_754 no C10 C8 H3 96.6(11) 3_754 3_754 3_754 no C10 C8 H5 164.1(3) 3_754 3_754 3_754 no C10 C8 H6 57.1(6) 3_754 3_754 3_754 no C10 C8 H6 75.4(6) 3_754 3_754 3_754 no C10 C8 H7 64.5(16) 3_754 3_754 3_754 no C10 C8 H7 123.9(6) 3_754 3_754 3_754 no C10 C8 H7 58.0(5) 3_754 3_754 3_754 no C10 C8 H8 73.5(15) 3_754 3_754 3_754 no C10 C8 H8 30.2(7) 3_754 3_754 3_754 no C10 C8 H8 115.8(8) 3_754 3_754 3_754 no C10 C8 H9 92.8(7) 3_754 3_754 3_754 no C10 C8 H9 13.2(6) 3_754 3_754 3_754 no H2 C8 H3 28.1(15) 3_765 3_765 3_765 no H2 C8 H5 45.9(7) 3_765 3_765 3_765 no H2 C8 H6 126.4(8) 3_765 3_765 3_765 no H2 C8 H6 132.0(7) 3_765 3_765 3_765 no H2 C8 H7 58.7(19) 3_765 3_765 3_765 no H2 C8 H7 110.8(7) 3_765 3_765 3_765 no H2 C8 H7 62.9(8) 3_765 3_765 3_765 no H2 C8 H8 97.4(15) 3_765 3_765 3_765 no H2 C8 H8 150.2(10) 3_765 3_765 3_765 no H2 C8 H8 120.9(10) 3_765 3_765 3_765 no H2 C8 H9 121.7(11) 3_765 3_765 3_765 no H2 C8 H9 112.1(8) 3_765 3_765 3_765 no H3 C8 H5 72.4(13) 3_765 3_765 3_765 no H3 C8 H6 102.4(15) 3_765 3_765 3_765 no H3 C8 H6 115.9(13) 3_765 3_765 3_765 no H3 C8 H7 32.2(22) 3_765 3_765 3_765 no H3 C8 H7 123.4(7) 3_765 3_765 3_765 no H3 C8 H7 43.5(8) 3_765 3_765 3_765 no H3 C8 H8 105.5(15) 3_765 3_765 3_765 no H3 C8 H8 123.6(14) 3_765 3_765 3_765 no H3 C8 H8 147.5(14) 3_765 3_765 3_765 no H3 C8 H9 144.1(16) 3_765 3_765 3_765 no H3 C8 H9 86.0(12) 3_765 3_765 3_765 no H5 C8 H6 135.5(9) 1_556 1_556 1_556 no H5 C8 H6 119.5(8) 1_556 1_556 1_556 no H5 C8 H7 104.2(17) 1_556 1_556 1_556 no H5 C8 H7 72.1(7) 1_556 1_556 1_556 no H5 C8 H7 107.3(6) 1_556 1_556 1_556 no H5 C8 H8 98.0(18) 1_556 1_556 1_556 no H5 C8 H8 163.8(8) 1_556 1_556 1_556 no H5 C8 H8 75.4(9) 1_556 1_556 1_556 no H5 C8 H9 90.1(11) 1_556 1_556 1_556 no H5 C8 H9 158.0(6) 1_556 1_556 1_556 no H6 C8 H6 22.6(11) . . . no H6 C8 H7 82.8(20) . . . no H6 C8 H7 75.6(9) . . . no H6 C8 H7 94.9(9) . . . no H6 C8 H8 125.2(17) . . . no H6 C8 H8 44.7(10) . . . no H6 C8 H8 97.9(11) . . . no H6 C8 H9 111.7(10) . . . no H6 C8 H9 52.0(9) . . . no H6 C8 H7 103.3(20) 2_755 2_755 2_755 no H6 C8 H7 53.2(9) 2_755 2_755 2_755 no H6 C8 H7 117.3(8) 2_755 2_755 2_755 no H6 C8 H8 130.2(16) 2_755 2_755 2_755 no H6 C8 H8 54.0(10) 2_755 2_755 2_755 no H6 C8 H8 77.4(10) 2_755 2_755 2_755 no H6 C8 H9 100.0(9) 2_755 2_755 2_755 no H6 C8 H9 73.0(8) 2_755 2_755 2_755 no H7 C8 H7 141.1(18) . . . no H7 C8 H7 21.5(12) . . . no H7 C8 H8 97.1(19) . . . no H7 C8 H8 91.9(19) . . . no H7 C8 H8 179.3(20) . . . no H7 C8 H9 141.5(14) . . . no H7 C8 H9 53.9(17) . . . no H7 C8 H7 162.6(8) 2_755 2_755 2_755 no H7 C8 H8 121.8(13) 2_755 2_755 2_755 no H7 C8 H8 94.8(8) 2_755 2_755 2_755 no H7 C8 H8 39.4(8) 2_755 2_755 2_755 no H7 C8 H9 77.3(5) 2_755 2_755 2_755 no H7 C8 H9 125.3(8) 2_755 2_755 2_755 no H7 C8 H8 75.6(12) 2_855 2_855 2_855 no H7 C8 H8 88.1(9) 2_855 2_855 2_855 no H7 C8 H8 158.0(8) 2_855 2_855 2_855 no H7 C8 H9 120.1(4) 2_855 2_855 2_855 no H7 C8 H9 51.8(7) 2_855 2_855 2_855 no H8 C8 H8 80.7(11) . . . no H8 C8 H8 82.4(17) . . . no H8 C8 H9 44.9(12) . . . no H8 C8 H9 84.0(16) . . . no H8 C8 H8 88.5(8) 3_754 3_754 3_754 no H8 C8 H9 77.5(12) 3_754 3_754 3_754 no H8 C8 H9 38.1(9) 3_754 3_754 3_754 no H8 C8 H9 38.1(7) 2_755 2_755 2_755 no H8 C8 H9 126.4(9) 2_755 2_755 2_755 no H9 C8 H9 106.1(7) . . . no N1 C9 C7 11.29(4) . . . ? N1 C9 C8 19.57(12) . . . ? N1 C9 C8 41.10(5) . . . ? N1 C9 C9 88.98(7) . . . ? N1 C9 C9 71.44(5) . . . ? N1 C9 C9 126.55(11) . . . ? N1 C9 C10 102.0(2) . . . ? N1 C9 H6 40.9(5) . . . no N1 C9 H6 162.8(8) . . . no N1 C9 H7 44.4(8) . . . no N1 C9 H7 41.2(4) . . . no N1 C9 H8 139.3(26) . . . no N1 C9 H8 79.3(8) . . . no N1 C9 H8 80.2(8) . . . no N1 C9 H8 116.6(7) . . . no N1 C9 H8 116.2(8) . . . no N1 C9 H9 125.3(7) . . . no C7 C9 C8 30.84(12) . . . ? C7 C9 C8 29.84(6) . . . ? C7 C9 C9 91.54(11) . . . ? C7 C9 C9 60.18(8) . . . ? C7 C9 C9 127.6(2) . . . ? C7 C9 C10 90.7(2) . . . ? C7 C9 H6 43.6(5) . . . no C7 C9 H6 165.7(9) . . . no C7 C9 H7 55.7(8) . . . no C7 C9 H7 29.9(4) . . . no C7 C9 H8 150.6(26) . . . no C7 C9 H8 80.3(8) . . . no C7 C9 H8 69.0(8) . . . no C7 C9 H8 115.6(7) . . . no C7 C9 H8 127.5(8) . . . no C7 C9 H9 114.0(7) . . . no C8 C9 C8 60.7(2) . . . ? C8 C9 C9 83.4(2) . . . ? C8 C9 C9 91.0(2) . . . ? C8 C9 C9 122.4(2) . . . ? C8 C9 C10 121.6(2) . . . ? C8 C9 H6 40.9(5) . . . no C8 C9 H6 147.1(7) . . . no C8 C9 H7 24.9(8) . . . no C8 C9 H7 60.8(4) . . . no C8 C9 H8 119.8(26) . . . no C8 C9 H8 77.2(8) . . . no C8 C9 H8 99.8(8) . . . no C8 C9 H8 117.0(7) . . . no C8 C9 H8 96.7(8) . . . no C8 C9 H9 144.6(8) . . . no C8 C9 C9 100.02(12) 2_755 2_755 2_755 ? C8 C9 C9 30.34(6) 2_755 2_755 2_755 ? C8 C9 C9 120.21(13) 2_755 2_755 2_755 ? C8 C9 C10 60.9(2) 2_755 2_755 2_755 ? C8 C9 H6 60.8(5) 2_755 2_755 2_755 no C8 C9 H6 146.9(6) 2_755 2_755 2_755 no C8 C9 H7 85.5(8) 2_755 2_755 2_755 no C8 C9 H7 0.2(4) 2_755 2_755 2_755 no C8 C9 H8 176.3(33) 2_755 2_755 2_755 no C8 C9 H8 86.8(8) 2_755 2_755 2_755 no C8 C9 H8 39.1(8) 2_755 2_755 2_755 no C8 C9 H8 106.2(7) 2_755 2_755 2_755 no C8 C9 H8 157.3(7) 2_755 2_755 2_755 no C8 C9 H9 84.5(6) 2_755 2_755 2_755 no C9 C9 C9 105.46(9) 3_754 3_754 3_754 ? C9 C9 C9 138.83(13) 3_754 3_754 3_754 ? C9 C9 C10 105.4(3) 3_754 3_754 3_754 ? C9 C9 H6 48.3(5) 3_754 3_754 3_754 no C9 C9 H6 75.0(9) 3_754 3_754 3_754 no C9 C9 H7 77.3(9) 3_754 3_754 3_754 no C9 C9 H7 99.9(5) 3_754 3_754 3_754 no C9 C9 H8 83.6(33) 3_754 3_754 3_754 no C9 C9 H8 13.2(7) 3_754 3_754 3_754 no C9 C9 H8 107.4(10) 3_754 3_754 3_754 no C9 C9 H8 152.4(7) 3_754 3_754 3_754 no C9 C9 H8 76.5(9) 3_754 3_754 3_754 no C9 C9 H9 97.9(14) 3_754 3_754 3_754 no C9 C9 C9 105.45(9) 2_755 2_755 2_755 ? C9 C9 C10 30.58(13) 2_755 2_755 2_755 ? C9 C9 H6 83.0(5) 2_755 2_755 2_755 no C9 C9 H6 118.3(6) 2_755 2_755 2_755 no C9 C9 H7 115.9(8) 2_755 2_755 2_755 no C9 C9 H7 30.2(4) 2_755 2_755 2_755 no C9 C9 H8 148.9(27) 2_755 2_755 2_755 no C9 C9 H8 93.7(7) 2_755 2_755 2_755 no C9 C9 H8 8.8(8) 2_755 2_755 2_755 no C9 C9 H8 93.3(6) 2_755 2_755 2_755 no C9 C9 H8 172.3(8) 2_755 2_755 2_755 no C9 C9 H9 54.3(6) 2_755 2_755 2_755 no C9 C9 C10 88.3(3) 3_755 3_755 3_755 ? C9 C9 H6 162.5(5) 3_755 3_755 3_755 no C9 C9 H6 66.7(9) 3_755 3_755 3_755 no C9 C9 H7 111.9(9) 3_755 3_755 3_755 no C9 C9 H7 120.3(5) 3_755 3_755 3_755 no C9 C9 H8 56.2(33) 3_755 3_755 3_755 no C9 C9 H8 151.4(8) 3_755 3_755 3_755 no C9 C9 H8 99.5(10) 3_755 3_755 3_755 no C9 C9 H8 14.0(7) 3_755 3_755 3_755 no C9 C9 H8 69.5(9) 3_755 3_755 3_755 no C9 C9 H9 79.0(14) 3_755 3_755 3_755 no C10 C9 H6 105.5(5) . . . no C10 C9 H6 88.4(6) . . . no C10 C9 H7 146.4(8) . . . no C10 C9 H7 60.8(4) . . . no C10 C9 H8 118.6(26) . . . no C10 C9 H8 98.5(8) . . . no C10 C9 H8 21.9(8) . . . no C10 C9 H8 80.6(7) . . . no C10 C9 H8 141.8(7) . . . no C10 C9 H9 24.0(6) . . . no H6 C9 H6 123.3(12) . . . no H6 C9 H7 50.9(10) . . . no H6 C9 H7 60.7(7) . . . no H6 C9 H8 122.3(32) . . . no H6 C9 H8 38.5(9) . . . no H6 C9 H8 90.4(11) . . . no H6 C9 H8 157.1(8) . . . no H6 C9 H8 103.5(10) . . . no H6 C9 H9 117.8(13) . . . no H6 C9 H7 123.7(9) 3_755 3_755 3_755 no H6 C9 H7 146.7(7) 3_755 3_755 3_755 no H6 C9 H8 34.4(27) 3_755 3_755 3_755 no H6 C9 H8 85.7(11) 3_755 3_755 3_755 no H6 C9 H8 110.1(9) 3_755 3_755 3_755 no H6 C9 H8 78.3(12) 3_755 3_755 3_755 no H6 C9 H8 54.6(10) 3_755 3_755 3_755 no H6 C9 H9 64.4(8) 3_755 3_755 3_755 no H7 C9 H7 85.6(11) . . . no H7 C9 H8 95.0(28) . . . no H7 C9 H8 76.7(11) . . . no H7 C9 H8 124.6(11) . . . no H7 C9 H8 112.8(11) . . . no H7 C9 H8 71.8(11) . . . no H7 C9 H9 168.0(14) . . . no H7 C9 H8 176.4(33) 2_755 2_755 2_755 no H7 C9 H8 86.7(9) 2_755 2_755 2_755 no H7 C9 H8 39.0(9) 2_755 2_755 2_755 no H7 C9 H8 106.3(9) 2_755 2_755 2_755 no H7 C9 H8 157.4(8) 2_755 2_755 2_755 no H7 C9 H9 84.3(7) 2_755 2_755 2_755 no H8 C9 H8 96.8(32) . . . no H8 C9 H8 140.1(35) . . . no H8 C9 H8 70.2(34) . . . no H8 C9 H8 23.3(21) . . . no H8 C9 H9 95.4(26) . . . no H8 C9 H8 96.7(13) 3_754 3_754 3_754 no H8 C9 H8 164.0(14) 3_754 3_754 3_754 no H8 C9 H8 88.9(11) 3_754 3_754 3_754 no H8 C9 H9 96.1(17) 3_754 3_754 3_754 no H8 C9 H8 88.3(12) 2_755 2_755 2_755 no H8 C9 H8 163.4(16) 2_755 2_755 2_755 no H8 C9 H9 45.9(10) 2_755 2_755 2_755 no H8 C9 H8 82.4(10) 3_755 3_755 3_755 no H8 C9 H9 76.5(16) 3_755 3_755 3_755 no H8 C9 H9 118.2(10) 2_855 2_855 2_855 no CL1 C10 C7 177.4(2) 3_755 3_755 3_755 ? CL1 C10 C8 150.01(6) 3_755 3_755 3_755 ? CL1 C10 C8 53.69(5) 3_755 3_755 3_755 ? CL1 C10 C8 150.01(6) 3_755 3_755 3_755 ? CL1 C10 C8 53.69(5) 3_755 3_755 3_755 ? CL1 C10 C9 120.58(13) 3_755 3_755 3_755 ? CL1 C10 C9 120.58(13) 3_755 3_755 3_755 ? CL1 C10 H6 53.3(6) 3_755 3_755 3_755 no CL1 C10 H6 53.3(6) 3_755 3_755 3_755 no CL1 C10 H7 141.0(5) 3_755 3_755 3_755 no CL1 C10 H7 41.0(4) 3_755 3_755 3_755 no CL1 C10 H7 141.0(5) 3_755 3_755 3_755 no CL1 C10 H7 40.9(4) 3_755 3_755 3_755 no CL1 C10 H8 96.0(13) 3_755 3_755 3_755 no CL1 C10 H8 109.4(7) 3_755 3_755 3_755 no CL1 C10 H8 76.5(7) 3_755 3_755 3_755 no CL1 C10 H8 109.4(7) 3_755 3_755 3_755 no CL1 C10 H8 96.0(13) 3_755 3_755 3_755 no CL1 C10 H8 76.5(7) 3_755 3_755 3_755 no CL1 C10 H9 9.3(31) 3_755 3_755 3_755 no C7 C10 C8 29.93(6) . . . ? C7 C10 C8 128.22(13) . . . ? C7 C10 C8 29.93(6) . . . ? C7 C10 C8 128.22(13) . . . ? C7 C10 C9 59.44(13) . . . ? C7 C10 C9 59.44(13) . . . ? C7 C10 H6 126.0(6) . . . no C7 C10 H6 126.0(6) . . . no C7 C10 H7 38.9(5) . . . no C7 C10 H7 141.3(4) . . . no C7 C10 H7 38.9(5) . . . no C7 C10 H7 141.3(4) . . . no C7 C10 H8 84.1(13) . . . no C7 C10 H8 68.2(7) . . . no C7 C10 H8 106.0(7) . . . no C7 C10 H8 68.2(7) . . . no C7 C10 H8 84.1(13) . . . no C7 C10 H8 106.0(7) . . . no C7 C10 H9 168.1(32) . . . no C8 C10 C8 143.6(2) . . . ? C8 C10 C8 59.86(12) . . . ? C8 C10 C8 104.85(10) . . . ? C8 C10 C9 29.51(12) . . . ? C8 C10 C9 89.4(2) . . . ? C8 C10 H6 154.3(7) . . . no C8 C10 H6 97.0(5) . . . no C8 C10 H7 9.0(5) . . . no C8 C10 H7 147.8(5) . . . no C8 C10 H7 68.8(5) . . . no C8 C10 H7 119.7(4) . . . no C8 C10 H8 54.2(13) . . . no C8 C10 H8 82.3(7) . . . no C8 C10 H8 114.0(7) . . . no C8 C10 H8 60.5(7) . . . no C8 C10 H8 114.0(13) . . . no C8 C10 H8 93.0(7) . . . no C8 C10 H9 148.2(10) . . . no C8 C10 C8 104.85(10) 4_455 4_455 4_455 ? C8 C10 C8 66.68(10) 4_455 4_455 4_455 ? C8 C10 C9 141.0(3) 4_455 4_455 4_455 ? C8 C10 C9 80.2(2) 4_455 4_455 4_455 ? C8 C10 H6 47.6(8) 4_455 4_455 4_455 no C8 C10 H6 100.6(7) 4_455 4_455 4_455 no C8 C10 H7 145.5(6) 4_455 4_455 4_455 no C8 C10 H7 14.9(4) 4_455 4_455 4_455 no C8 C10 H7 97.7(6) 4_455 4_455 4_455 no C8 C10 H7 54.6(5) 4_455 4_455 4_455 no C8 C10 H8 125.8(16) 4_455 4_455 4_455 no C8 C10 H8 120.9(7) 4_455 4_455 4_455 no C8 C10 H8 29.8(7) 4_455 4_455 4_455 no C8 C10 H8 155.2(7) 4_455 4_455 4_455 no C8 C10 H8 59.5(15) 4_455 4_455 4_455 no C8 C10 H8 61.6(6) 4_455 4_455 4_455 no C8 C10 H9 60.7(24) 4_455 4_455 4_455 no C8 C10 C8 143.6(2) 2_755 2_755 2_755 ? C8 C10 C9 89.4(2) 2_755 2_755 2_755 ? C8 C10 C9 29.51(12) 2_755 2_755 2_755 ? C8 C10 H6 97.0(5) 2_755 2_755 2_755 no C8 C10 H6 154.3(7) 2_755 2_755 2_755 no C8 C10 H7 68.8(5) 2_755 2_755 2_755 no C8 C10 H7 119.7(4) 2_755 2_755 2_755 no C8 C10 H7 9.0(5) 2_755 2_755 2_755 no C8 C10 H7 147.8(5) 2_755 2_755 2_755 no C8 C10 H8 114.0(13) 2_755 2_755 2_755 no C8 C10 H8 60.5(7) 2_755 2_755 2_755 no C8 C10 H8 93.0(7) 2_755 2_755 2_755 no C8 C10 H8 82.3(7) 2_755 2_755 2_755 no C8 C10 H8 54.2(13) 2_755 2_755 2_755 no C8 C10 H8 114.0(7) 2_755 2_755 2_755 no C8 C10 H9 148.2(10) 2_755 2_755 2_755 no C8 C10 C9 80.2(2) 3_755 3_755 3_755 ? C8 C10 C9 141.0(3) 3_755 3_755 3_755 ? C8 C10 H6 100.6(7) 3_755 3_755 3_755 no C8 C10 H6 47.6(8) 3_755 3_755 3_755 no C8 C10 H7 97.7(6) 3_755 3_755 3_755 no C8 C10 H7 54.6(5) 3_755 3_755 3_755 no C8 C10 H7 145.5(6) 3_755 3_755 3_755 no C8 C10 H7 14.9(4) 3_755 3_755 3_755 no C8 C10 H8 59.5(15) 3_755 3_755 3_755 no C8 C10 H8 155.2(7) 3_755 3_755 3_755 no C8 C10 H8 61.6(6) 3_755 3_755 3_755 no C8 C10 H8 120.9(7) 3_755 3_755 3_755 no C8 C10 H8 125.8(16) 3_755 3_755 3_755 no C8 C10 H8 29.8(7) 3_755 3_755 3_755 no C8 C10 H9 60.7(24) 3_755 3_755 3_755 no C9 C10 C9 118.8(3) . . . ? C9 C10 H6 167.2(7) . . . no C9 C10 H6 68.4(5) . . . no C9 C10 H7 20.5(5) . . . no C9 C10 H7 133.6(6) . . . no C9 C10 H7 98.3(5) . . . no C9 C10 H7 94.8(5) . . . no C9 C10 H8 24.7(13) . . . no C9 C10 H8 97.8(7) . . . no C9 C10 H8 115.4(8) . . . no C9 C10 H8 61.3(7) . . . no C9 C10 H8 143.3(13) . . . no C9 C10 H8 79.4(7) . . . no C9 C10 H9 120.1(3) . . . no C9 C10 H6 68.4(5) 2_755 2_755 2_755 no C9 C10 H6 167.2(7) 2_755 2_755 2_755 no C9 C10 H7 98.3(5) 2_755 2_755 2_755 no C9 C10 H7 94.8(5) 2_755 2_755 2_755 no C9 C10 H7 20.5(5) 2_755 2_755 2_755 no C9 C10 H7 133.6(6) 2_755 2_755 2_755 no C9 C10 H8 143.3(13) 2_755 2_755 2_755 no C9 C10 H8 61.3(7) 2_755 2_755 2_755 no C9 C10 H8 79.4(7) 2_755 2_755 2_755 no C9 C10 H8 97.8(7) 2_755 2_755 2_755 no C9 C10 H8 24.7(13) 2_755 2_755 2_755 no C9 C10 H8 115.4(8) 2_755 2_755 2_755 no C9 C10 H9 120.1(3) 2_755 2_755 2_755 no H6 C10 H6 102.6(10) 4_455 4_455 4_455 no H6 C10 H7 161.6(10) 4_455 4_455 4_455 no H6 C10 H7 51.4(9) 4_455 4_455 4_455 no H6 C10 H7 88.2(6) 4_455 4_455 4_455 no H6 C10 H7 85.7(8) 4_455 4_455 4_455 no H6 C10 H8 147.7(14) 4_455 4_455 4_455 no H6 C10 H8 76.0(10) 4_455 4_455 4_455 no H6 C10 H8 75.5(11) 4_455 4_455 4_455 no H6 C10 H8 108.5(10) 4_455 4_455 4_455 no H6 C10 H8 45.1(14) 4_455 4_455 4_455 no H6 C10 H8 107.8(11) 4_455 4_455 4_455 no H6 C10 H9 51.8(7) 4_455 4_455 4_455 no H6 C10 H7 88.2(6) 3_755 3_755 3_755 no H6 C10 H7 85.7(8) 3_755 3_755 3_755 no H6 C10 H7 161.6(10) 3_755 3_755 3_755 no H6 C10 H7 51.4(9) 3_755 3_755 3_755 no H6 C10 H8 45.1(14) 3_755 3_755 3_755 no H6 C10 H8 108.5(10) 3_755 3_755 3_755 no H6 C10 H8 107.8(11) 3_755 3_755 3_755 no H6 C10 H8 76.0(10) 3_755 3_755 3_755 no H6 C10 H8 147.7(14) 3_755 3_755 3_755 no H6 C10 H8 75.5(11) 3_755 3_755 3_755 no H6 C10 H9 51.8(7) 3_755 3_755 3_755 no H7 C10 H7 145.7(11) . . . no H7 C10 H7 77.8(9) . . . no H7 C10 H7 112.5(5) . . . no H7 C10 H8 45.2(14) . . . no H7 C10 H8 86.5(9) . . . no H7 C10 H8 115.7(9) . . . no H7 C10 H8 59.3(9) . . . no H7 C10 H8 122.9(14) . . . no H7 C10 H8 89.2(9) . . . no H7 C10 H9 139.7(9) . . . no H7 C10 H7 112.5(5) 4_455 4_455 4_455 no H7 C10 H7 41.3(9) 4_455 4_455 4_455 no H7 C10 H8 114.1(16) 4_455 4_455 4_455 no H7 C10 H8 127.4(9) 4_455 4_455 4_455 no H7 C10 H8 36.7(8) 4_455 4_455 4_455 no H7 C10 H8 149.2(8) 4_455 4_455 4_455 no H7 C10 H8 73.0(16) 4_455 4_455 4_455 no H7 C10 H8 56.6(8) 4_455 4_455 4_455 no H7 C10 H9 49.0(28) 4_455 4_455 4_455 no H7 C10 H7 145.7(11) 2_755 2_755 2_755 no H7 C10 H8 122.9(14) 2_755 2_755 2_755 no H7 C10 H8 59.3(9) 2_755 2_755 2_755 no H7 C10 H8 89.2(9) 2_755 2_755 2_755 no H7 C10 H8 86.5(9) 2_755 2_755 2_755 no H7 C10 H8 45.2(14) 2_755 2_755 2_755 no H7 C10 H8 115.7(9) 2_755 2_755 2_755 no H7 C10 H9 139.7(9) 2_755 2_755 2_755 no H7 C10 H8 73.0(16) 3_755 3_755 3_755 no H7 C10 H8 149.2(8) 3_755 3_755 3_755 no H7 C10 H8 56.6(8) 3_755 3_755 3_755 no H7 C10 H8 127.3(9) 3_755 3_755 3_755 no H7 C10 H8 114.1(16) 3_755 3_755 3_755 no H7 C10 H8 36.7(8) 3_755 3_755 3_755 no H7 C10 H9 49.0(28) 3_755 3_755 3_755 no H8 C10 H8 110.8(20) . . . no H8 C10 H8 110.1(20) . . . no H8 C10 H8 69.1(14) . . . no H8 C10 H8 167.1(26) . . . no H8 C10 H8 68.6(14) . . . no H8 C10 H9 96.3(13) . . . no H8 C10 H8 137.7(11) 4_454 4_454 4_454 no H8 C10 H8 42.0(13) 4_454 4_454 4_454 no H8 C10 H8 69.1(14) 4_454 4_454 4_454 no H8 C10 H8 174.1(13) 4_454 4_454 4_454 no H8 C10 H9 100.8(30) 4_454 4_454 4_454 no H8 C10 H8 174.1(13) 4_455 4_455 4_455 no H8 C10 H8 68.6(14) 4_455 4_455 4_455 no H8 C10 H8 41.7(13) 4_455 4_455 4_455 no H8 C10 H9 85.1(30) 4_455 4_455 4_455 no H8 C10 H8 110.8(20) 3_754 3_754 3_754 no H8 C10 H8 137.7(11) 3_754 3_754 3_754 no H8 C10 H9 100.8(30) 3_754 3_754 3_754 no H8 C10 H8 110.1(20) 2_755 2_755 2_755 no H8 C10 H9 96.3(13) 2_755 2_755 2_755 no H8 C10 H9 85.1(30) 3_755 3_755 3_755 no CL1 H1 O1 104.8(24) 3_765 3_765 3_765 no CL1 H1 N1 147.2(25) 3_765 3_765 3_765 no CL1 H1 N2 158.3(47) 3_765 3_765 3_765 no CL1 H1 C1 130.6(30) 3_765 3_765 3_765 no CL1 H1 C2 159.2(30) 3_765 3_765 3_765 no CL1 H1 C3 170.7(25) 3_765 3_765 3_765 no CL1 H1 C3 80.0(10) 3_765 3_765 3_765 no CL1 H1 C3 80.0(10) 3_765 3_765 3_765 no CL1 H1 C4 168.2(24) 3_765 3_765 3_765 no CL1 H1 C4 62.8(8) 3_765 3_765 3_765 no CL1 H1 C4 62.8(8) 3_765 3_765 3_765 no CL1 H1 C6 118.6(23) 3_765 3_765 3_765 no CL1 H1 H2 101.1(21) 3_765 3_765 3_765 no CL1 H1 H2 101.1(21) 3_765 3_765 3_765 no CL1 H1 H3 122.3(21) 3_765 3_765 3_765 no CL1 H1 H4 162.2(22) 3_765 3_765 3_765 no CL1 H1 H4 60.0(17) 3_765 3_765 3_765 no CL1 H1 H4 93.1(13) 3_765 3_765 3_765 no CL1 H1 H4 93.1(13) 3_765 3_765 3_765 no CL1 H1 H5 78.2(13) 3_765 3_765 3_765 no CL1 H1 H5 78.3(13) 3_765 3_765 3_765 no CL1 H1 H6 58.1(11) 3_765 3_765 3_765 no CL1 H1 H6 58.1(11) 3_765 3_765 3_765 no O1 H1 N1 42.4(7) . . . no O1 H1 N2 53.5(24) . . . no O1 H1 C1 25.8(6) . . . no O1 H1 C2 96.0(19) . . . no O1 H1 C3 84.5(14) . . . no O1 H1 C3 82.2(9) . . . no O1 H1 C3 82.2(9) . . . no O1 H1 C4 63.4(10) . . . no O1 H1 C4 98.7(11) . . . no O1 H1 C4 98.7(11) . . . no O1 H1 C6 136.6(24) . . . no O1 H1 H2 147.3(21) . . . no O1 H1 H2 147.3(21) . . . no O1 H1 H3 132.9(21) . . . no O1 H1 H4 93.0(14) . . . no O1 H1 H4 44.8(10) . . . no O1 H1 H4 85.6(12) . . . no O1 H1 H4 85.6(12) . . . no O1 H1 H5 121.0(9) . . . no O1 H1 H5 121.0(9) . . . no O1 H1 H6 128.4(12) . . . no O1 H1 H6 128.4(12) . . . no N1 H1 N2 11.1(22) . . . no N1 H1 C1 16.7(7) . . . no N1 H1 C2 53.6(12) . . . no N1 H1 C3 42.0(7) . . . no N1 H1 C3 92.6(8) . . . no N1 H1 C3 92.6(8) . . . no N1 H1 C4 21.0(4) . . . no N1 H1 C4 113.8(7) . . . no N1 H1 C4 113.8(7) . . . no N1 H1 C6 94.1(19) . . . no N1 H1 H2 109.7(22) . . . no N1 H1 H2 109.7(22) . . . no N1 H1 H3 90.5(17) . . . no N1 H1 H4 50.5(9) . . . no N1 H1 H4 87.3(11) . . . no N1 H1 H4 85.4(12) . . . no N1 H1 H4 85.4(12) . . . no N1 H1 H5 115.5(12) . . . no N1 H1 H5 115.5(12) . . . no N1 H1 H6 135.8(8) . . . no N1 H1 H6 135.8(8) . . . no N2 H1 C1 27.7(18) . . . no N2 H1 C2 42.5(24) . . . no N2 H1 C3 31.0(24) . . . no N2 H1 C3 95.3(10) . . . no N2 H1 C3 95.3(10) . . . no N2 H1 C4 9.9(23) . . . no N2 H1 C4 116.0(8) . . . no N2 H1 C4 116.0(8) . . . no N2 H1 C6 83.0(36) . . . no N2 H1 H2 99.3(38) . . . no N2 H1 H2 99.3(38) . . . no N2 H1 H3 79.4(35) . . . no N2 H1 H4 39.5(27) . . . no N2 H1 H4 98.3(31) . . . no N2 H1 H4 85.7(12) . . . no N2 H1 H4 85.7(12) . . . no N2 H1 H5 111.5(19) . . . no N2 H1 H5 111.5(19) . . . no N2 H1 H6 132.6(17) . . . no N2 H1 H6 132.6(17) . . . no C1 H1 C2 70.3(17) . . . no C1 H1 C3 58.7(13) . . . no C1 H1 C3 88.4(9) . . . no C1 H1 C3 88.4(9) . . . no C1 H1 C4 37.7(10) . . . no C1 H1 C4 108.9(10) . . . no C1 H1 C4 108.9(10) . . . no C1 H1 C6 110.8(25) . . . no C1 H1 H2 125.1(26) . . . no C1 H1 H2 125.1(26) . . . no C1 H1 H3 107.2(23) . . . no C1 H1 H4 67.2(14) . . . no C1 H1 H4 70.6(14) . . . no C1 H1 H4 85.1(12) . . . no C1 H1 H4 85.1(12) . . . no C1 H1 H5 119.8(10) . . . no C1 H1 H5 119.8(10) . . . no C1 H1 H6 136.6(7) . . . no C1 H1 H6 136.6(7) . . . no C2 H1 C3 11.6(6) . . . no C2 H1 C3 103.2(10) . . . no C2 H1 C3 103.2(10) . . . no C2 H1 C4 32.6(9) . . . no C2 H1 C4 114.5(10) . . . no C2 H1 C4 114.5(10) . . . no C2 H1 C6 40.5(12) . . . no C2 H1 H2 59.5(19) . . . no C2 H1 H2 59.5(19) . . . no C2 H1 H3 36.9(15) . . . no C2 H1 H4 3.1(10) . . . no C2 H1 H4 140.9(20) . . . no C2 H1 H4 88.5(14) . . . no C2 H1 H4 88.5(14) . . . no C2 H1 H5 91.1(16) . . . no C2 H1 H5 91.1(16) . . . no C2 H1 H6 108.4(17) . . . no C2 H1 H6 108.4(17) . . . no C3 H1 C3 101.6(10) . . . no C3 H1 C3 101.6(10) . . . no C3 H1 C4 21.0(4) . . . no C3 H1 C4 116.5(9) . . . no C3 H1 C4 116.5(9) . . . no C3 H1 C6 52.1(12) . . . no C3 H1 H2 70.2(18) . . . no C3 H1 H2 70.2(18) . . . no C3 H1 H3 48.5(13) . . . no C3 H1 H4 8.5(6) . . . no C3 H1 H4 129.3(14) . . . no C3 H1 H4 87.6(13) . . . no C3 H1 H4 87.6(13) . . . no C3 H1 H5 97.1(15) . . . no C3 H1 H5 97.1(15) . . . no C3 H1 H6 116.2(14) . . . no C3 H1 H6 116.2(14) . . . no C3 H1 C3 150.5(20) 3_665 3_665 3_665 no C3 H1 C4 97.6(9) 3_665 3_665 3_665 no C3 H1 C4 21.2(2) 3_665 3_665 3_665 no C3 H1 C4 141.9(18) 3_665 3_665 3_665 no C3 H1 C6 104.3(10) 3_665 3_665 3_665 no C3 H1 H2 122.1(16) 3_665 3_665 3_665 no C3 H1 H2 83.1(9) 3_665 3_665 3_665 no C3 H1 H3 104.5(10) 3_665 3_665 3_665 no C3 H1 H4 102.8(10) 3_665 3_665 3_665 no C3 H1 H4 75.6(10) 3_665 3_665 3_665 no C3 H1 H4 14.9(7) 3_665 3_665 3_665 no C3 H1 H4 163.9(22) 3_665 3_665 3_665 no C3 H1 H5 39.5(7) 3_665 3_665 3_665 no C3 H1 H5 151.6(16) 3_665 3_665 3_665 no C3 H1 H6 48.8(6) 3_665 3_665 3_665 no C3 H1 H6 131.5(15) 3_665 3_665 3_665 no C3 H1 C4 97.6(9) 3_765 3_765 3_765 no C3 H1 C4 141.9(18) 3_765 3_765 3_765 no C3 H1 C4 21.2(2) 3_765 3_765 3_765 no C3 H1 C6 104.3(10) 3_765 3_765 3_765 no C3 H1 H2 83.0(9) 3_765 3_765 3_765 no C3 H1 H2 122.1(16) 3_765 3_765 3_765 no C3 H1 H3 104.5(10) 3_765 3_765 3_765 no C3 H1 H4 102.8(10) 3_765 3_765 3_765 no C3 H1 H4 75.6(10) 3_765 3_765 3_765 no C3 H1 H4 163.9(22) 3_765 3_765 3_765 no C3 H1 H4 14.9(7) 3_765 3_765 3_765 no C3 H1 H5 151.6(16) 3_765 3_765 3_765 no C3 H1 H5 39.5(7) 3_765 3_765 3_765 no C3 H1 H6 131.5(15) 3_765 3_765 3_765 no C3 H1 H6 48.8(6) 3_765 3_765 3_765 no C4 H1 C4 117.1(7) . . . no C4 H1 C4 117.1(7) . . . no C4 H1 C6 73.1(15) . . . no C4 H1 H2 90.0(20) . . . no C4 H1 H2 90.0(20) . . . no C4 H1 H3 69.5(14) . . . no C4 H1 H4 29.6(6) . . . no C4 H1 H4 108.3(12) . . . no C4 H1 H4 86.2(13) . . . no C4 H1 H4 86.2(13) . . . no C4 H1 H5 107.3(14) . . . no C4 H1 H5 107.3(14) . . . no C4 H1 H6 128.4(12) . . . no C4 H1 H6 128.3(12) . . . no C4 H1 C4 125.4(15) 3_665 3_665 3_665 no C4 H1 C6 100.9(10) 3_665 3_665 3_665 no C4 H1 H2 110.8(16) 3_665 3_665 3_665 no C4 H1 H2 75.9(11) 3_665 3_665 3_665 no C4 H1 H3 102.4(10) 3_665 3_665 3_665 no C4 H1 H4 115.1(9) 3_665 3_665 3_665 no C4 H1 H4 78.5(10) 3_665 3_665 3_665 no C4 H1 H4 30.9(7) 3_665 3_665 3_665 no C4 H1 H4 155.8(21) 3_665 3_665 3_665 no C4 H1 H5 29.7(9) 3_665 3_665 3_665 no C4 H1 H5 130.5(15) 3_665 3_665 3_665 no C4 H1 H6 29.9(6) 3_665 3_665 3_665 no C4 H1 H6 110.3(13) 3_665 3_665 3_665 no C4 H1 C6 100.9(10) 3_765 3_765 3_765 no C4 H1 H2 75.9(11) 3_765 3_765 3_765 no C4 H1 H2 110.8(16) 3_765 3_765 3_765 no C4 H1 H3 102.4(10) 3_765 3_765 3_765 no C4 H1 H4 115.1(9) 3_765 3_765 3_765 no C4 H1 H4 78.6(10) 3_765 3_765 3_765 no C4 H1 H4 155.8(21) 3_765 3_765 3_765 no C4 H1 H4 30.9(7) 3_765 3_765 3_765 no C4 H1 H5 130.5(15) 3_765 3_765 3_765 no C4 H1 H5 29.7(9) 3_765 3_765 3_765 no C4 H1 H6 110.3(13) 3_765 3_765 3_765 no C4 H1 H6 29.9(6) 3_765 3_765 3_765 no C6 H1 H2 25.7(11) . . . no C6 H1 H2 25.7(11) . . . no C6 H1 H3 3.6(11) . . . no C6 H1 H4 43.6(13) . . . no C6 H1 H4 178.6(20) . . . no C6 H1 H4 91.8(14) . . . no C6 H1 H4 91.8(14) . . . no C6 H1 H5 71.2(12) . . . no C6 H1 H5 71.2(12) . . . no C6 H1 H6 79.2(12) . . . no C6 H1 H6 79.2(12) . . . no H2 H1 H2 39.4(20) . . . no H2 H1 H3 28.1(14) . . . no H2 H1 H4 62.3(17) . . . no H2 H1 H4 153.4(18) . . . no H2 H1 H4 112.7(20) . . . no H2 H1 H4 73.4(13) . . . no H2 H1 H5 83.4(16) . . . no H2 H1 H5 46.4(13) . . . no H2 H1 H6 82.4(15) . . . no H2 H1 H6 53.7(14) . . . no H2 H1 H3 28.1(14) 2_755 2_755 2_755 no H2 H1 H4 62.3(17) 2_755 2_755 2_755 no H2 H1 H4 153.4(18) 2_755 2_755 2_755 no H2 H1 H4 73.4(13) 2_755 2_755 2_755 no H2 H1 H4 112.7(20) 2_755 2_755 2_755 no H2 H1 H5 46.4(13) 2_755 2_755 2_755 no H2 H1 H5 83.4(16) 2_755 2_755 2_755 no H2 H1 H6 53.7(14) 2_755 2_755 2_755 no H2 H1 H6 82.4(15) 2_755 2_755 2_755 no H3 H1 H4 40.0(12) . . . no H3 H1 H4 177.8(17) . . . no H3 H1 H4 91.5(14) . . . no H3 H1 H4 91.5(14) . . . no H3 H1 H5 72.8(13) . . . no H3 H1 H5 72.8(13) . . . no H3 H1 H6 81.8(12) . . . no H3 H1 H6 81.8(12) . . . no H4 H1 H4 137.8(13) . . . no H4 H1 H4 88.2(13) . . . no H4 H1 H4 88.2(13) . . . no H4 H1 H5 92.7(14) . . . no H4 H1 H5 92.7(14) . . . no H4 H1 H6 110.5(13) . . . no H4 H1 H6 110.5(13) . . . no H4 H1 H4 88.3(13) 1_556 1_556 1_556 no H4 H1 H4 88.3(13) 1_556 1_556 1_556 no H4 H1 H5 108.2(14) 1_556 1_556 1_556 no H4 H1 H5 108.2(14) 1_556 1_556 1_556 no H4 H1 H6 99.8(13) 1_556 1_556 1_556 no H4 H1 H6 99.8(13) 1_556 1_556 1_556 no H4 H1 H4 170.2(23) 3_665 3_665 3_665 no H4 H1 H5 36.1(9) 3_665 3_665 3_665 no H4 H1 H5 153.3(19) 3_665 3_665 3_665 no H4 H1 H6 51.7(9) 3_665 3_665 3_665 no H4 H1 H6 137.9(17) 3_665 3_665 3_665 no H4 H1 H5 153.3(19) 3_765 3_765 3_765 no H4 H1 H5 36.1(9) 3_765 3_765 3_765 no H4 H1 H6 137.9(17) 3_765 3_765 3_765 no H4 H1 H6 51.7(9) 3_765 3_765 3_765 no H5 H1 H5 117.3(17) 3_665 3_665 3_665 no H5 H1 H6 21.2(9) 3_665 3_665 3_665 no H5 H1 H6 103.6(14) 3_665 3_665 3_665 no H5 H1 H6 103.6(14) 3_765 3_765 3_765 no H5 H1 H6 21.2(9) 3_765 3_765 3_765 no H6 H1 H6 86.2(13) 4_465 4_465 4_465 no CL1 H2 O1 120.9(13) 3_765 3_765 3_765 no CL1 H2 N2 59.7(8) 3_765 3_765 3_765 no CL1 H2 C1 62.7(6) 3_765 3_765 3_765 no CL1 H2 C1 138.8(11) 3_765 3_765 3_765 no CL1 H2 C2 87.7(11) 3_765 3_765 3_765 no CL1 H2 C3 104.7(8) 3_765 3_765 3_765 no CL1 H2 C3 61.1(7) 3_765 3_765 3_765 no CL1 H2 C4 55.2(6) 3_765 3_765 3_765 no CL1 H2 C5 68.3(8) 3_765 3_765 3_765 no CL1 H2 C6 104.0(22) 3_765 3_765 3_765 no CL1 H2 C7 142.7(10) 3_765 3_765 3_765 no CL1 H2 C8 140.3(9) 3_765 3_765 3_765 no CL1 H2 H1 36.5(15) 3_765 3_765 3_765 no CL1 H2 H2 76.6(6) 3_765 3_765 3_765 no CL1 H2 H3 137.2(21) 3_765 3_765 3_765 no CL1 H2 H4 118.8(10) 3_765 3_765 3_765 no CL1 H2 H4 72.6(11) 3_765 3_765 3_765 no CL1 H2 H5 81.5(15) 3_765 3_765 3_765 no CL1 H2 H6 62.2(11) 3_765 3_765 3_765 no CL1 H2 H7 123.8(9) 3_765 3_765 3_765 no CL1 H2 H7 149.2(10) 3_765 3_765 3_765 no CL1 H2 H9 52.0(9) 3_765 3_765 3_765 no O1 H2 N2 103.3(9) 3_764 3_764 3_764 no O1 H2 C1 97.2(7) 3_764 3_764 3_764 no O1 H2 C1 19.3(3) 3_764 3_764 3_764 no O1 H2 C2 97.6(10) 3_764 3_764 3_764 no O1 H2 C3 86.1(8) 3_764 3_764 3_764 no O1 H2 C3 60.6(6) 3_764 3_764 3_764 no O1 H2 C4 66.8(7) 3_764 3_764 3_764 no O1 H2 C5 61.1(6) 3_764 3_764 3_764 no O1 H2 C6 118.0(23) 3_764 3_764 3_764 no O1 H2 C7 42.3(5) 3_764 3_764 3_764 no O1 H2 C8 61.9(6) 3_764 3_764 3_764 no O1 H2 H1 115.0(14) 3_764 3_764 3_764 no O1 H2 H2 158.3(8) 3_764 3_764 3_764 no O1 H2 H3 96.9(20) 3_764 3_764 3_764 no O1 H2 H4 82.4(8) 3_764 3_764 3_764 no O1 H2 H4 50.2(7) 3_764 3_764 3_764 no O1 H2 H5 47.4(12) 3_764 3_764 3_764 no O1 H2 H6 74.3(12) 3_764 3_764 3_764 no O1 H2 H7 113.3(13) 3_764 3_764 3_764 no O1 H2 H7 71.9(10) 3_764 3_764 3_764 no O1 H2 H9 122.8(10) 3_764 3_764 3_764 no N2 H2 C1 6.1(2) . . . no N2 H2 C1 105.4(8) . . . no N2 H2 C2 29.5(4) . . . no N2 H2 C3 45.5(4) . . . no N2 H2 C3 66.1(8) . . . no N2 H2 C4 80.9(9) . . . no N2 H2 C5 102.5(12) . . . no N2 H2 C6 63.8(15) . . . no N2 H2 C7 142.3(10) . . . no N2 H2 C8 158.6(12) . . . no N2 H2 H1 23.3(14) . . . no N2 H2 H2 73.3(7) . . . no N2 H2 H3 94.9(23) . . . no N2 H2 H4 60.1(8) . . . no N2 H2 H4 67.2(9) . . . no N2 H2 H5 106.7(17) . . . no N2 H2 H6 108.0(15) . . . no N2 H2 H7 121.2(11) . . . no N2 H2 H7 149.4(15) . . . no N2 H2 H9 109.8(14) . . . no C1 H2 C1 99.7(6) . . . no C1 H2 C2 29.2(6) . . . no C1 H2 C3 43.8(3) . . . no C1 H2 C3 62.2(5) . . . no C1 H2 C4 78.2(7) . . . no C1 H2 C5 99.7(9) . . . no C1 H2 C6 66.5(16) . . . no C1 H2 C7 136.6(8) . . . no C1 H2 C8 153.9(10) . . . no C1 H2 H1 27.1(14) . . . no C1 H2 H2 78.9(5) . . . no C1 H2 H3 95.7(23) . . . no C1 H2 H4 58.4(8) . . . no C1 H2 H4 62.3(7) . . . no C1 H2 H5 102.6(14) . . . no C1 H2 H6 106.6(13) . . . no C1 H2 H7 124.9(9) . . . no C1 H2 H7 147.5(12) . . . no C1 H2 H9 113.9(12) . . . no C1 H2 C2 90.5(10) 3_764 3_764 3_764 no C1 H2 C3 75.8(7) 3_764 3_764 3_764 no C1 H2 C3 77.7(6) 3_764 3_764 3_764 no C1 H2 C4 85.9(7) 3_764 3_764 3_764 no C1 H2 C5 79.7(7) 3_764 3_764 3_764 no C1 H2 C6 101.2(22) 3_764 3_764 3_764 no C1 H2 C7 36.9(3) 3_764 3_764 3_764 no C1 H2 C8 55.3(5) 3_764 3_764 3_764 no C1 H2 H1 123.4(14) 3_764 3_764 3_764 no C1 H2 H2 139.7(6) 3_764 3_764 3_764 no C1 H2 H3 77.6(19) 3_764 3_764 3_764 no C1 H2 H4 68.4(7) 3_764 3_764 3_764 no C1 H2 H4 66.4(8) 3_764 3_764 3_764 no C1 H2 H5 65.8(12) 3_764 3_764 3_764 no C1 H2 H6 92.0(12) 3_764 3_764 3_764 no C1 H2 H7 97.1(11) 3_764 3_764 3_764 no C1 H2 H7 60.2(8) 3_764 3_764 3_764 no C1 H2 H9 135.5(9) 3_764 3_764 3_764 no C2 H2 C3 17.2(4) . . . no C2 H2 C3 86.7(10) . . . no C2 H2 C4 105.2(12) . . . no C2 H2 C5 125.6(14) . . . no C2 H2 C6 41.0(10) . . . no C2 H2 C7 123.0(13) . . . no C2 H2 C8 132.0(16) . . . no C2 H2 H1 51.5(16) . . . no C2 H2 H2 68.6(8) . . . no C2 H2 H3 66.6(22) . . . no C2 H2 H4 31.1(8) . . . no C2 H2 H4 82.7(10) . . . no C2 H2 H5 124.0(17) . . . no C2 H2 H6 135.1(18) . . . no C2 H2 H7 99.2(13) . . . no C2 H2 H7 119.9(17) . . . no C2 H2 H9 132.7(15) . . . no C3 H2 C3 92.3(7) . . . no C3 H2 C4 112.3(8) . . . no C3 H2 C5 129.2(10) . . . no C3 H2 C6 39.8(11) . . . no C3 H2 C7 106.1(10) . . . no C3 H2 C8 114.9(12) . . . no C3 H2 H1 68.3(15) . . . no C3 H2 H2 76.3(6) . . . no C3 H2 H3 55.2(21) . . . no C3 H2 H4 14.7(7) . . . no C3 H2 H4 85.1(8) . . . no C3 H2 H5 122.7(13) . . . no C3 H2 H6 142.5(13) . . . no C3 H2 H7 92.1(10) . . . no C3 H2 H7 104.1(13) . . . no C3 H2 H9 148.6(11) . . . no C3 H2 C4 20.2(2) 3_765 3_765 3_765 no C3 H2 C5 38.8(4) 3_765 3_765 3_765 no C3 H2 C6 127.6(19) 3_765 3_765 3_765 no C3 H2 C7 97.0(7) 3_765 3_765 3_765 no C3 H2 C8 113.0(8) 3_765 3_765 3_765 no C3 H2 H1 62.0(10) 3_765 3_765 3_765 no C3 H2 H2 131.8(5) 3_765 3_765 3_765 no C3 H2 H3 143.2(23) 3_765 3_765 3_765 no C3 H2 H4 102.5(9) 3_765 3_765 3_765 no C3 H2 H4 12.2(7) 3_765 3_765 3_765 no C3 H2 H5 40.5(12) 3_765 3_765 3_765 no C3 H2 H6 50.3(9) 3_765 3_765 3_765 no C3 H2 H7 172.2(10) 3_765 3_765 3_765 no C3 H2 H7 128.3(11) 3_765 3_765 3_765 no C3 H2 H9 92.4(11) 3_765 3_765 3_765 no C4 H2 C5 21.6(3) 3_765 3_765 3_765 no C4 H2 C6 144.7(22) 3_765 3_765 3_765 no C4 H2 C7 93.4(6) 3_765 3_765 3_765 no C4 H2 C8 104.6(7) 3_765 3_765 3_765 no C4 H2 H1 70.1(13) 3_765 3_765 3_765 no C4 H2 H2 131.8(5) 3_765 3_765 3_765 no C4 H2 H3 161.3(22) 3_765 3_765 3_765 no C4 H2 H4 122.7(10) 3_765 3_765 3_765 no C4 H2 H4 29.8(7) 3_765 3_765 3_765 no C4 H2 H5 29.4(12) 3_765 3_765 3_765 no C4 H2 H6 30.5(7) 3_765 3_765 3_765 no C4 H2 H7 155.4(8) 3_765 3_765 3_765 no C4 H2 H7 121.4(10) 3_765 3_765 3_765 no C4 H2 H9 73.9(9) 3_765 3_765 3_765 no C5 H2 C6 166.2(23) 3_765 3_765 3_765 no C5 H2 C7 76.0(6) 3_765 3_765 3_765 no C5 H2 C8 84.2(6) 3_765 3_765 3_765 no C5 H2 H1 90.5(16) 3_765 3_765 3_765 no C5 H2 H2 140.5(6) 3_765 3_765 3_765 no C5 H2 H3 154.4(23) 3_765 3_765 3_765 no C5 H2 H4 135.7(10) 3_765 3_765 3_765 no C5 H2 H4 44.2(7) 3_765 3_765 3_765 no C5 H2 H5 14.0(11) 3_765 3_765 3_765 no C5 H2 H6 15.2(7) 3_765 3_765 3_765 no C5 H2 H7 135.0(8) 3_765 3_765 3_765 no C5 H2 H7 101.1(9) 3_765 3_765 3_765 no C5 H2 H9 66.9(7) 3_765 3_765 3_765 no C6 H2 C7 113.1(26) . . . no C6 H2 C8 107.8(26) . . . no C6 H2 H1 77.4(21) . . . no C6 H2 H2 40.8(18) . . . no C6 H2 H3 35.0(22) . . . no C6 H2 H4 37.0(13) . . . no C6 H2 H4 123.4(18) . . . no C6 H2 H5 162.3(23) . . . no C6 H2 H6 165.9(30) . . . no C6 H2 H7 58.8(19) . . . no C6 H2 H7 91.2(26) . . . no C6 H2 H9 118.2(20) . . . no C7 H2 C8 19.6(2) 3_764 3_764 3_764 no C7 H2 H1 157.2(14) 3_764 3_764 3_764 no C7 H2 H2 131.2(5) 3_764 3_764 3_764 no C7 H2 H3 78.8(21) 3_764 3_764 3_764 no C7 H2 H4 94.2(10) 3_764 3_764 3_764 no C7 H2 H4 89.5(8) 3_764 3_764 3_764 no C7 H2 H5 64.3(12) 3_764 3_764 3_764 no C7 H2 H6 80.5(11) 3_764 3_764 3_764 no C7 H2 H7 75.5(9) 3_764 3_764 3_764 no C7 H2 H7 31.4(6) 3_764 3_764 3_764 no C7 H2 H9 104.1(8) 3_764 3_764 3_764 no C8 H2 H1 174.7(18) 3_764 3_764 3_764 no C8 H2 H2 114.3(6) 3_764 3_764 3_764 no C8 H2 H3 73.2(23) 3_764 3_764 3_764 no C8 H2 H4 100.9(12) 3_764 3_764 3_764 no C8 H2 H4 107.3(9) 3_764 3_764 3_764 no C8 H2 H5 75.4(12) 3_764 3_764 3_764 no C8 H2 H6 83.8(10) 3_764 3_764 3_764 no C8 H2 H7 59.2(8) 3_764 3_764 3_764 no C8 H2 H7 16.9(5) 3_764 3_764 3_764 no C8 H2 H9 91.5(9) 3_764 3_764 3_764 no H1 H2 H2 70.3(10) . . . no H1 H2 H3 111.9(27) . . . no H1 H2 H4 82.6(18) . . . no H1 H2 H4 68.3(11) . . . no H1 H2 H5 99.3(20) . . . no H1 H2 H6 91.2(20) . . . no H1 H2 H7 125.7(13) . . . no H1 H2 H7 168.4(19) . . . no H1 H2 H9 86.8(18) . . . no H2 H2 H3 62.6(18) 2_755 2_755 2_755 no H2 H2 H4 77.4(5) 2_755 2_755 2_755 no H2 H2 H4 138.4(7) 2_755 2_755 2_755 no H2 H2 H5 154.3(13) 2_755 2_755 2_755 no H2 H2 H6 127.4(10) 2_755 2_755 2_755 no H2 H2 H7 55.7(7) 2_755 2_755 2_755 no H2 H2 H7 99.9(8) 2_755 2_755 2_755 no H2 H2 H9 77.6(5) 2_755 2_755 2_755 no H3 H2 H4 42.4(20) . . . no H3 H2 H4 132.1(22) . . . no H3 H2 H5 141.2(23) . . . no H3 H2 H6 156.8(28) . . . no H3 H2 H7 38.6(20) . . . no H3 H2 H7 57.0(23) . . . no H3 H2 H9 124.3(24) . . . no H4 H2 H4 93.6(6) . . . no H4 H2 H5 125.7(14) . . . no H4 H2 H6 150.7(14) . . . no H4 H2 H7 80.6(12) . . . no H4 H2 H7 89.4(14) . . . no H4 H2 H9 154.8(10) . . . no H4 H2 H5 41.6(12) 3_765 3_765 3_765 no H4 H2 H6 57.8(12) 3_765 3_765 3_765 no H4 H2 H7 163.4(14) 3_765 3_765 3_765 no H4 H2 H7 120.8(12) 3_765 3_765 3_765 no H4 H2 H9 103.6(14) 3_765 3_765 3_765 no H5 H2 H6 27.2(12) 3_765 3_765 3_765 no H5 H2 H7 132.0(14) 3_765 3_765 3_765 no H5 H2 H7 92.2(14) 3_765 3_765 3_765 no H5 H2 H9 78.5(12) 3_765 3_765 3_765 no H6 H2 H7 124.9(9) 3_765 3_765 3_765 no H6 H2 H7 99.8(12) 3_765 3_765 3_765 no H6 H2 H9 51.8(8) 3_765 3_765 3_765 no H7 H2 H7 44.2(11) 4_464 4_464 4_464 no H7 H2 H9 87.3(10) 4_464 4_464 4_464 no H7 H2 H9 97.2(11) 3_764 3_764 3_764 no CL1 H3 O1 99.7(14) 3_764 3_764 3_764 no CL1 H3 O1 99.7(14) 3_764 3_764 3_764 no CL1 H3 N1 64.3(12) 3_764 3_764 3_764 no CL1 H3 N1 64.3(12) 3_764 3_764 3_764 no CL1 H3 N2 146.5(20) 3_764 3_764 3_764 no CL1 H3 C1 80.5(14) 3_764 3_764 3_764 no CL1 H3 C1 80.5(14) 3_764 3_764 3_764 no CL1 H3 C2 132.2(26) 3_764 3_764 3_764 no CL1 H3 C3 101.4(23) 3_764 3_764 3_764 no CL1 H3 C6 173.4(38) 3_764 3_764 3_764 no CL1 H3 C8 71.7(15) 3_764 3_764 3_764 no CL1 H3 C8 71.7(15) 3_764 3_764 3_764 no CL1 H3 H1 165.3(19) 3_764 3_764 3_764 no CL1 H3 H2 148.7(22) 3_764 3_764 3_764 no CL1 H3 H2 148.7(22) 3_764 3_764 3_764 no CL1 H3 H4 81.6(25) 3_764 3_764 3_764 no CL1 H3 H7 61.7(20) 3_764 3_764 3_764 no CL1 H3 H7 61.7(20) 3_764 3_764 3_764 no O1 H3 O1 159.2(27) 3_664 3_664 3_664 no O1 H3 N1 36.5(2) 3_664 3_664 3_664 no O1 H3 N1 163.9(26) 3_664 3_664 3_664 no O1 H3 N2 79.8(13) 3_664 3_664 3_664 no O1 H3 C1 20.12(7) 3_664 3_664 3_664 no O1 H3 C1 166.7(16) 3_664 3_664 3_664 no O1 H3 C2 80.7(12) 3_664 3_664 3_664 no O1 H3 C3 84.5(9) 3_664 3_664 3_664 no O1 H3 C6 79.9(14) 3_664 3_664 3_664 no O1 H3 C8 57.4(3) 3_664 3_664 3_664 no O1 H3 C8 137.3(14) 3_664 3_664 3_664 no O1 H3 H1 79.7(14) 3_664 3_664 3_664 no O1 H3 H2 108.9(31) 3_664 3_664 3_664 no O1 H3 H2 54.5(11) 3_664 3_664 3_664 no O1 H3 H4 87.8(8) 3_664 3_664 3_664 no O1 H3 H7 68.4(7) 3_664 3_664 3_664 no O1 H3 H7 128.4(16) 3_664 3_664 3_664 no O1 H3 N1 163.9(26) 3_764 3_764 3_764 no O1 H3 N1 36.5(2) 3_764 3_764 3_764 no O1 H3 N2 79.8(13) 3_764 3_764 3_764 no O1 H3 C1 166.7(16) 3_764 3_764 3_764 no O1 H3 C1 20.11(7) 3_764 3_764 3_764 no O1 H3 C2 80.7(12) 3_764 3_764 3_764 no O1 H3 C3 84.4(9) 3_764 3_764 3_764 no O1 H3 C6 79.9(14) 3_764 3_764 3_764 no O1 H3 C8 137.3(14) 3_764 3_764 3_764 no O1 H3 C8 57.4(3) 3_764 3_764 3_764 no O1 H3 H1 79.7(14) 3_764 3_764 3_764 no O1 H3 H2 54.5(11) 3_764 3_764 3_764 no O1 H3 H2 108.9(31) 3_764 3_764 3_764 no O1 H3 H4 87.7(8) 3_764 3_764 3_764 no O1 H3 H7 128.4(16) 3_764 3_764 3_764 no O1 H3 H7 68.4(7) 3_764 3_764 3_764 no N1 H3 N1 127.5(23) 3_664 3_664 3_664 no N1 H3 N2 114.1(9) 3_664 3_664 3_664 no N1 H3 C1 21.7(2) 3_664 3_664 3_664 no N1 H3 C1 144.5(26) 3_664 3_664 3_664 no N1 H3 C2 110.8(8) 3_664 3_664 3_664 no N1 H3 C3 99.7(10) 3_664 3_664 3_664 no N1 H3 C6 116.2(12) 3_664 3_664 3_664 no N1 H3 C8 39.1(4) 3_664 3_664 3_664 no N1 H3 C8 112.7(18) 3_664 3_664 3_664 no N1 H3 H1 116.2(11) 3_664 3_664 3_664 no N1 H3 H2 139.7(27) 3_664 3_664 3_664 no N1 H3 H2 86.4(12) 3_664 3_664 3_664 no N1 H3 H4 91.2(14) 3_664 3_664 3_664 no N1 H3 H7 44.1(9) 3_664 3_664 3_664 no N1 H3 H7 100.6(21) 3_664 3_664 3_664 no N1 H3 N2 114.1(9) 3_764 3_764 3_764 no N1 H3 C1 144.5(26) 3_764 3_764 3_764 no N1 H3 C1 21.7(2) 3_764 3_764 3_764 no N1 H3 C2 110.8(8) 3_764 3_764 3_764 no N1 H3 C3 99.7(10) 3_764 3_764 3_764 no N1 H3 C6 116.2(12) 3_764 3_764 3_764 no N1 H3 C8 112.7(18) 3_764 3_764 3_764 no N1 H3 C8 39.1(4) 3_764 3_764 3_764 no N1 H3 H1 116.2(11) 3_764 3_764 3_764 no N1 H3 H2 86.5(12) 3_764 3_764 3_764 no N1 H3 H2 139.8(27) 3_764 3_764 3_764 no N1 H3 H4 91.2(14) 3_764 3_764 3_764 no N1 H3 H7 100.6(21) 3_764 3_764 3_764 no N1 H3 H7 44.1(9) 3_764 3_764 3_764 no N2 H3 C1 92.6(11) . . . no N2 H3 C1 92.6(11) . . . no N2 H3 C2 14.3(9) . . . no N2 H3 C3 45.1(11) . . . no N2 H3 C6 26.9(20) . . . no N2 H3 C8 130.2(17) . . . no N2 H3 C8 130.2(17) . . . no N2 H3 H1 18.8(10) . . . no N2 H3 H2 54.5(24) . . . no N2 H3 H2 54.5(24) . . . no N2 H3 H4 64.9(17) . . . no N2 H3 H7 142.6(23) . . . no N2 H3 H7 142.6(23) . . . no C1 H3 C1 152.9(23) 3_664 3_664 3_664 no C1 H3 C2 89.3(9) 3_664 3_664 3_664 no C1 H3 C3 82.5(8) 3_664 3_664 3_664 no C1 H3 C6 98.3(14) 3_664 3_664 3_664 no C1 H3 C8 55.6(4) 3_664 3_664 3_664 no C1 H3 C8 133.9(19) 3_664 3_664 3_664 no C1 H3 H1 96.7(13) 3_664 3_664 3_664 no C1 H3 H2 128.9(31) 3_664 3_664 3_664 no C1 H3 H2 74.6(11) 3_664 3_664 3_664 no C1 H3 H4 79.1(9) 3_664 3_664 3_664 no C1 H3 H7 63.5(8) 3_664 3_664 3_664 no C1 H3 H7 122.1(22) 3_664 3_664 3_664 no C1 H3 C2 89.3(9) 3_764 3_764 3_764 no C1 H3 C3 82.5(8) 3_764 3_764 3_764 no C1 H3 C6 98.3(14) 3_764 3_764 3_764 no C1 H3 C8 133.9(19) 3_764 3_764 3_764 no C1 H3 C8 55.6(4) 3_764 3_764 3_764 no C1 H3 H1 96.8(13) 3_764 3_764 3_764 no C1 H3 H2 74.6(11) 3_764 3_764 3_764 no C1 H3 H2 128.9(31) 3_764 3_764 3_764 no C1 H3 H4 79.1(9) 3_764 3_764 3_764 no C1 H3 H7 122.1(22) 3_764 3_764 3_764 no C1 H3 H7 63.5(8) 3_764 3_764 3_764 no C2 H3 C3 30.8(7) . . . no C2 H3 C6 41.2(22) . . . no C2 H3 C8 136.5(16) . . . no C2 H3 C8 136.5(16) . . . no C2 H3 H1 33.1(17) . . . no C2 H3 H2 66.6(29) . . . no C2 H3 H2 66.6(29) . . . no C2 H3 H4 50.6(14) . . . no C2 H3 H7 148.6(17) . . . no C2 H3 H7 148.6(17) . . . no C3 H3 C6 72.0(28) . . . no C3 H3 C8 138.0(8) . . . no C3 H3 C8 138.0(8) . . . no C3 H3 H1 63.9(17) . . . no C3 H3 H2 93.8(31) . . . no C3 H3 H2 93.8(31) . . . no C3 H3 H4 19.8(10) . . . no C3 H3 H7 143.4(20) . . . no C3 H3 H7 143.4(20) . . . no C6 H3 C8 113.0(28) . . . no C6 H3 C8 113.0(28) . . . no C6 H3 H1 8.1(23) . . . no C6 H3 H2 34.7(22) . . . no C6 H3 H2 34.7(22) . . . no C6 H3 H4 91.8(32) . . . no C6 H3 H7 123.6(36) . . . no C6 H3 H7 123.6(36) . . . no C8 H3 C8 80.7(12) 4_464 4_464 4_464 no C8 H3 H1 118.7(18) 4_464 4_464 4_464 no C8 H3 H2 113.5(28) 4_464 4_464 4_464 no C8 H3 H2 78.7(17) 4_464 4_464 4_464 no C8 H3 H4 129.9(19) 4_464 4_464 4_464 no C8 H3 H7 12.5(8) 4_464 4_464 4_464 no C8 H3 H7 71.0(14) 4_464 4_464 4_464 no C8 H3 H1 118.7(18) 3_764 3_764 3_764 no C8 H3 H2 78.7(17) 3_764 3_764 3_764 no C8 H3 H2 113.5(28) 3_764 3_764 3_764 no C8 H3 H4 129.9(19) 3_764 3_764 3_764 no C8 H3 H7 71.0(14) 3_764 3_764 3_764 no C8 H3 H7 12.5(8) 3_764 3_764 3_764 no H1 H3 H2 40.0(22) . . . no H1 H3 H2 40.0(22) . . . no H1 H3 H4 83.7(22) . . . no H1 H3 H7 129.9(25) . . . no H1 H3 H7 129.9(25) . . . no H2 H3 H2 54.8(36) . . . no H2 H3 H4 111.2(32) . . . no H2 H3 H7 117.6(32) . . . no H2 H3 H7 90.0(22) . . . no H2 H3 H4 111.2(32) 2_755 2_755 2_755 no H2 H3 H7 90.0(22) 2_755 2_755 2_755 no H2 H3 H7 117.6(32) 2_755 2_755 2_755 no H4 H3 H7 130.2(31) . . . no H4 H3 H7 130.2(31) . . . no H7 H3 H7 60.4(18) 4_464 4_464 4_464 no CL1 H4 O1 75.0(10) 3_764 3_764 3_764 no CL1 H4 N1 162.8(14) 3_764 3_764 3_764 no CL1 H4 N2 119.5(11) 3_764 3_764 3_764 no CL1 H4 N2 76.3(6) 3_764 3_764 3_764 no CL1 H4 N2 76.3(6) 3_764 3_764 3_764 no CL1 H4 C1 140.9(12) 3_764 3_764 3_764 no CL1 H4 C1 64.2(7) 3_764 3_764 3_764 no CL1 H4 C1 66.5(5) 3_764 3_764 3_764 no CL1 H4 C1 66.5(5) 3_764 3_764 3_764 no CL1 H4 C2 104.2(13) 3_764 3_764 3_764 no CL1 H4 C2 69.4(6) 3_764 3_764 3_764 no CL1 H4 C2 69.4(6) 3_764 3_764 3_764 no CL1 H4 C3 138.6(28) 3_764 3_764 3_764 no CL1 H4 C4 177.5(19) 3_764 3_764 3_764 no CL1 H4 C5 148.4(16) 3_764 3_764 3_764 no CL1 H4 C6 72.4(8) 3_764 3_764 3_764 no CL1 H4 H1 107.1(10) 3_764 3_764 3_764 no CL1 H4 H1 30.7(8) 3_764 3_764 3_764 no CL1 H4 H1 93.9(13) 3_764 3_764 3_764 no CL1 H4 H1 93.9(13) 3_764 3_764 3_764 no CL1 H4 H2 74.4(9) 3_764 3_764 3_764 no CL1 H4 H2 94.5(10) 3_764 3_764 3_764 no CL1 H4 H2 74.4(9) 3_764 3_764 3_764 no CL1 H4 H2 94.5(10) 3_764 3_764 3_764 no CL1 H4 H3 50.8(21) 3_764 3_764 3_764 no CL1 H4 H5 128.0(22) 3_764 3_764 3_764 no CL1 H4 H6 146.7(16) 3_764 3_764 3_764 no CL1 H4 H6 146.7(16) 3_764 3_764 3_764 no O1 H4 N1 122.2(12) 1_554 1_554 1_554 no O1 H4 N2 165.5(13) 1_554 1_554 1_554 no O1 H4 N2 86.2(7) 1_554 1_554 1_554 no O1 H4 N2 86.2(7) 1_554 1_554 1_554 no O1 H4 C1 144.1(12) 1_554 1_554 1_554 no O1 H4 C1 10.8(3) 1_554 1_554 1_554 no O1 H4 C1 100.3(8) 1_554 1_554 1_554 no O1 H4 C1 100.3(8) 1_554 1_554 1_554 no O1 H4 C2 179.2(17) 1_554 1_554 1_554 no O1 H4 C2 66.4(6) 1_554 1_554 1_554 no O1 H4 C2 66.4(6) 1_554 1_554 1_554 no O1 H4 C3 146.4(29) 1_554 1_554 1_554 no O1 H4 C4 107.5(15) 1_554 1_554 1_554 no O1 H4 C5 73.4(10) 1_554 1_554 1_554 no O1 H4 C6 147.4(15) 1_554 1_554 1_554 no O1 H4 H1 177.9(13) 1_554 1_554 1_554 no O1 H4 H1 44.3(11) 1_554 1_554 1_554 no O1 H4 H1 88.1(14) 1_554 1_554 1_554 no O1 H4 H1 88.1(14) 1_554 1_554 1_554 no O1 H4 H2 146.8(14) 1_554 1_554 1_554 no O1 H4 H2 51.9(8) 1_554 1_554 1_554 no O1 H4 H2 146.8(14) 1_554 1_554 1_554 no O1 H4 H2 51.9(8) 1_554 1_554 1_554 no O1 H4 H3 125.8(25) 1_554 1_554 1_554 no O1 H4 H5 53.0(16) 1_554 1_554 1_554 no O1 H4 H6 74.1(12) 1_554 1_554 1_554 no O1 H4 H6 74.1(12) 1_554 1_554 1_554 no N1 H4 N2 43.3(6) . . . no N1 H4 N2 103.2(7) . . . no N1 H4 N2 103.2(7) . . . no N1 H4 C1 21.9(3) . . . no N1 H4 C1 133.0(11) . . . no N1 H4 C1 107.2(7) . . . no N1 H4 C1 107.2(7) . . . no N1 H4 C2 58.6(10) . . . no N1 H4 C2 115.5(5) . . . no N1 H4 C2 115.5(5) . . . no N1 H4 C3 24.2(17) . . . no N1 H4 C4 14.8(5) . . . no N1 H4 C5 48.8(7) . . . no N1 H4 C6 90.4(12) . . . no N1 H4 H1 55.7(11) . . . no N1 H4 H1 166.5(13) . . . no N1 H4 H1 87.2(13) . . . no N1 H4 H1 87.2(13) . . . no N1 H4 H2 88.8(13) . . . no N1 H4 H2 96.9(9) . . . no N1 H4 H2 88.8(13) . . . no N1 H4 H2 96.9(9) . . . no N1 H4 H3 112.0(26) . . . no N1 H4 H5 69.2(18) . . . no N1 H4 H6 49.6(10) . . . no N1 H4 H6 49.6(10) . . . no N2 H4 N2 96.9(7) . . . no N2 H4 N2 96.9(7) . . . no N2 H4 C1 21.5(3) . . . no N2 H4 C1 176.4(11) . . . no N2 H4 C1 86.7(7) . . . no N2 H4 C1 86.7(7) . . . no N2 H4 C2 15.3(5) . . . no N2 H4 C2 116.9(6) . . . no N2 H4 C2 116.9(6) . . . no N2 H4 C3 19.2(17) . . . no N2 H4 C4 58.1(11) . . . no N2 H4 C5 92.1(12) . . . no N2 H4 C6 47.1(7) . . . no N2 H4 H1 12.4(8) . . . no N2 H4 H1 150.2(11) . . . no N2 H4 H1 90.7(14) . . . no N2 H4 H1 90.7(14) . . . no N2 H4 H2 46.8(9) . . . no N2 H4 H2 122.4(10) . . . no N2 H4 H2 46.8(9) . . . no N2 H4 H2 122.4(10) . . . no N2 H4 H3 68.7(23) . . . no N2 H4 H5 112.5(21) . . . no N2 H4 H6 91.7(14) . . . no N2 H4 H6 91.7(14) . . . no N2 H4 N2 152.6(12) 3_664 3_664 3_664 no N2 H4 C1 100.8(7) 3_664 3_664 3_664 no N2 H4 C1 83.8(7) 3_664 3_664 3_664 no N2 H4 C1 20.38(13) 3_664 3_664 3_664 no N2 H4 C1 138.6(10) 3_664 3_664 3_664 no N2 H4 C2 93.6(7) 3_664 3_664 3_664 no N2 H4 C2 20.1(1) 3_664 3_664 3_664 no N2 H4 C2 140.3(12) 3_664 3_664 3_664 no N2 H4 C3 100.4(8) 3_664 3_664 3_664 no N2 H4 C4 103.7(6) 3_664 3_664 3_664 no N2 H4 C5 101.5(6) 3_664 3_664 3_664 no N2 H4 C6 86.1(6) 3_664 3_664 3_664 no N2 H4 H1 94.2(7) 3_664 3_664 3_664 no N2 H4 H1 78.1(7) 3_664 3_664 3_664 no N2 H4 H1 17.8(9) 3_664 3_664 3_664 no N2 H4 H1 169.6(18) 3_664 3_664 3_664 no N2 H4 H2 98.8(9) 3_664 3_664 3_664 no N2 H4 H2 44.7(5) 3_664 3_664 3_664 no N2 H4 H2 74.2(7) 3_664 3_664 3_664 no N2 H4 H2 137.9(14) 3_664 3_664 3_664 no N2 H4 H3 81.6(7) 3_664 3_664 3_664 no N2 H4 H5 98.2(7) 3_664 3_664 3_664 no N2 H4 H6 113.7(9) 3_664 3_664 3_664 no N2 H4 H6 89.4(7) 3_664 3_664 3_664 no N2 H4 C1 100.8(7) 3_764 3_764 3_764 no N2 H4 C1 83.8(7) 3_764 3_764 3_764 no N2 H4 C1 138.6(10) 3_764 3_764 3_764 no N2 H4 C1 20.38(13) 3_764 3_764 3_764 no N2 H4 C2 93.6(7) 3_764 3_764 3_764 no N2 H4 C2 140.3(12) 3_764 3_764 3_764 no N2 H4 C2 20.1(1) 3_764 3_764 3_764 no N2 H4 C3 100.4(8) 3_764 3_764 3_764 no N2 H4 C4 103.7(6) 3_764 3_764 3_764 no N2 H4 C5 101.5(6) 3_764 3_764 3_764 no N2 H4 C6 86.1(6) 3_764 3_764 3_764 no N2 H4 H1 94.2(7) 3_764 3_764 3_764 no N2 H4 H1 78.1(7) 3_764 3_764 3_764 no N2 H4 H1 169.6(18) 3_764 3_764 3_764 no N2 H4 H1 17.8(9) 3_764 3_764 3_764 no N2 H4 H2 74.2(7) 3_764 3_764 3_764 no N2 H4 H2 137.9(14) 3_764 3_764 3_764 no N2 H4 H2 98.8(9) 3_764 3_764 3_764 no N2 H4 H2 44.7(5) 3_764 3_764 3_764 no N2 H4 H3 81.6(7) 3_764 3_764 3_764 no N2 H4 H5 98.2(7) 3_764 3_764 3_764 no N2 H4 H6 89.4(7) 3_764 3_764 3_764 no N2 H4 H6 113.7(9) 3_764 3_764 3_764 no C1 H4 C1 154.9(10) . . . no C1 H4 C1 97.2(7) . . . no C1 H4 C1 97.2(7) . . . no C1 H4 C2 36.7(7) . . . no C1 H4 C2 118.4(6) . . . no C1 H4 C2 118.4(6) . . . no C1 H4 C3 2.3(17) . . . no C1 H4 C4 36.6(8) . . . no C1 H4 C5 70.7(9) . . . no C1 H4 C6 68.5(9) . . . no C1 H4 H1 33.8(9) . . . no C1 H4 H1 171.7(11) . . . no C1 H4 H1 88.9(14) . . . no C1 H4 H1 88.9(14) . . . no C1 H4 H2 67.5(10) . . . no C1 H4 H2 110.8(10) . . . no C1 H4 H2 67.5(10) . . . no C1 H4 H2 110.8(10) . . . no C1 H4 H3 90.2(24) . . . no C1 H4 H5 91.1(19) . . . no C1 H4 H6 70.8(12) . . . no C1 H4 H6 70.8(12) . . . no C1 H4 C1 95.1(7) 1_554 1_554 1_554 no C1 H4 C1 95.1(7) 1_554 1_554 1_554 no C1 H4 C2 168.4(15) 1_554 1_554 1_554 no C1 H4 C2 63.8(6) 1_554 1_554 1_554 no C1 H4 C2 63.8(6) 1_554 1_554 1_554 no C1 H4 C3 157.2(27) 1_554 1_554 1_554 no C1 H4 C4 118.3(14) 1_554 1_554 1_554 no C1 H4 C5 84.2(10) 1_554 1_554 1_554 no C1 H4 C6 136.6(13) 1_554 1_554 1_554 no C1 H4 H1 171.3(11) 1_554 1_554 1_554 no C1 H4 H1 33.4(9) 1_554 1_554 1_554 no C1 H4 H1 89.0(14) 1_554 1_554 1_554 no C1 H4 H1 89.0(14) 1_554 1_554 1_554 no C1 H4 H2 136.7(12) 1_554 1_554 1_554 no C1 H4 H2 56.0(9) 1_554 1_554 1_554 no C1 H4 H2 136.7(12) 1_554 1_554 1_554 no C1 H4 H2 56.0(9) 1_554 1_554 1_554 no C1 H4 H3 114.9(24) 1_554 1_554 1_554 no C1 H4 H5 63.8(17) 1_554 1_554 1_554 no C1 H4 H6 84.7(13) 1_554 1_554 1_554 no C1 H4 H6 84.7(13) 1_554 1_554 1_554 no C1 H4 C1 120.6(9) 3_664 3_664 3_664 no C1 H4 C2 79.3(7) 3_664 3_664 3_664 no C1 H4 C2 35.9(2) 3_664 3_664 3_664 no C1 H4 C2 135.9(11) 3_664 3_664 3_664 no C1 H4 C3 96.1(14) 3_664 3_664 3_664 no C1 H4 C4 112.7(8) 3_664 3_664 3_664 no C1 H4 C5 119.6(5) 3_664 3_664 3_664 no C1 H4 C6 66.4(5) 3_664 3_664 3_664 no C1 H4 H1 80.7(6) 3_664 3_664 3_664 no C1 H4 H1 78.8(6) 3_664 3_664 3_664 no C1 H4 H1 34.6(9) 3_664 3_664 3_664 no C1 H4 H1 155.2(15) 3_664 3_664 3_664 no C1 H4 H2 79.0(8) 3_664 3_664 3_664 no C1 H4 H2 64.8(5) 3_664 3_664 3_664 no C1 H4 H2 55.1(6) 3_664 3_664 3_664 no C1 H4 H2 150.9(15) 3_664 3_664 3_664 no C1 H4 H3 61.4(5) 3_664 3_664 3_664 no C1 H4 H5 118.5(6) 3_664 3_664 3_664 no C1 H4 H6 131.8(8) 3_664 3_664 3_664 no C1 H4 H6 107.3(7) 3_664 3_664 3_664 no C1 H4 C2 79.3(7) 3_764 3_764 3_764 no C1 H4 C2 135.9(11) 3_764 3_764 3_764 no C1 H4 C2 35.9(2) 3_764 3_764 3_764 no C1 H4 C3 96.1(14) 3_764 3_764 3_764 no C1 H4 C4 112.7(8) 3_764 3_764 3_764 no C1 H4 C5 119.6(5) 3_764 3_764 3_764 no C1 H4 C6 66.4(5) 3_764 3_764 3_764 no C1 H4 H1 80.7(6) 3_764 3_764 3_764 no C1 H4 H1 78.8(6) 3_764 3_764 3_764 no C1 H4 H1 155.2(15) 3_764 3_764 3_764 no C1 H4 H1 34.6(9) 3_764 3_764 3_764 no C1 H4 H2 55.1(6) 3_764 3_764 3_764 no C1 H4 H2 150.9(15) 3_764 3_764 3_764 no C1 H4 H2 79.0(8) 3_764 3_764 3_764 no C1 H4 H2 64.8(5) 3_764 3_764 3_764 no C1 H4 H3 61.4(5) 3_764 3_764 3_764 no C1 H4 H5 118.5(6) 3_764 3_764 3_764 no C1 H4 H6 107.3(7) 3_764 3_764 3_764 no C1 H4 H6 131.8(8) 3_764 3_764 3_764 no C2 H4 C2 113.4(6) . . . no C2 H4 C2 113.4(6) . . . no C2 H4 C3 34.4(17) . . . no C2 H4 C4 73.3(15) . . . no C2 H4 C5 107.4(17) . . . no C2 H4 C6 31.8(6) . . . no C2 H4 H1 2.9(10) . . . no C2 H4 H1 134.9(13) . . . no C2 H4 H1 91.9(14) . . . no C2 H4 H1 92.0(14) . . . no C2 H4 H2 32.5(9) . . . no C2 H4 H2 128.3(10) . . . no C2 H4 H2 32.5(9) . . . no C2 H4 H2 128.3(10) . . . no C2 H4 H3 53.4(22) . . . no C2 H4 H5 127.8(24) . . . no C2 H4 H6 106.6(17) . . . no C2 H4 H6 106.6(17) . . . no C2 H4 C2 123.2(11) 3_664 3_664 3_664 no C2 H4 C3 118.4(6) 3_664 3_664 3_664 no C2 H4 C4 111.4(6) 3_664 3_664 3_664 no C2 H4 C5 97.5(7) 3_664 3_664 3_664 no C2 H4 C6 101.5(6) 3_664 3_664 3_664 no C2 H4 H1 114.2(6) 3_664 3_664 3_664 no C2 H4 H1 62.2(6) 3_664 3_664 3_664 no C2 H4 H1 29.6(11) 3_664 3_664 3_664 no C2 H4 H1 152.0(18) 3_664 3_664 3_664 no C2 H4 H2 113.6(9) 3_664 3_664 3_664 no C2 H4 H2 32.6(5) 3_664 3_664 3_664 no C2 H4 H2 90.8(7) 3_664 3_664 3_664 no C2 H4 H2 118.2(13) 3_664 3_664 3_664 no C2 H4 H3 91.5(11) 3_664 3_664 3_664 no C2 H4 H5 87.9(10) 3_664 3_664 3_664 no C2 H4 H6 108.6(11) 3_664 3_664 3_664 no C2 H4 H6 86.8(8) 3_664 3_664 3_664 no C2 H4 C3 118.4(6) 3_764 3_764 3_764 no C2 H4 C4 111.4(6) 3_764 3_764 3_764 no C2 H4 C5 97.5(7) 3_764 3_764 3_764 no C2 H4 C6 101.5(6) 3_764 3_764 3_764 no C2 H4 H1 114.2(6) 3_764 3_764 3_764 no C2 H4 H1 62.2(6) 3_764 3_764 3_764 no C2 H4 H1 152.0(18) 3_764 3_764 3_764 no C2 H4 H1 29.6(11) 3_764 3_764 3_764 no C2 H4 H2 90.8(7) 3_764 3_764 3_764 no C2 H4 H2 118.2(13) 3_764 3_764 3_764 no C2 H4 H2 113.6(9) 3_764 3_764 3_764 no C2 H4 H2 32.6(5) 3_764 3_764 3_764 no C2 H4 H3 91.5(11) 3_764 3_764 3_764 no C2 H4 H5 87.9(10) 3_764 3_764 3_764 no C2 H4 H6 86.8(8) 3_764 3_764 3_764 no C2 H4 H6 108.5(11) 3_764 3_764 3_764 no C3 H4 C4 38.9(16) . . . no C3 H4 C5 73.0(22) . . . no C3 H4 C6 66.2(22) . . . no C3 H4 H1 31.5(22) . . . no C3 H4 H1 169.4(27) . . . no C3 H4 H1 89.1(14) . . . no C3 H4 H1 89.1(14) . . . no C3 H4 H2 65.2(23) . . . no C3 H4 H2 112.2(16) . . . no C3 H4 H2 65.2(23) . . . no C3 H4 H2 112.2(16) . . . no C3 H4 H3 87.9(34) . . . no C3 H4 H5 93.4(30) . . . no C3 H4 H6 73.0(23) . . . no C3 H4 H6 73.0(23) . . . no C4 H4 C5 34.1(6) . . . no C4 H4 C6 105.1(18) . . . no C4 H4 H1 70.5(15) . . . no C4 H4 H1 151.7(17) . . . no C4 H4 H1 86.3(13) . . . no C4 H4 H1 86.3(13) . . . no C4 H4 H2 103.2(18) . . . no C4 H4 H2 87.2(10) . . . no C4 H4 H2 103.2(18) . . . no C4 H4 H2 87.2(10) . . . no C4 H4 H3 126.8(30) . . . no C4 H4 H5 54.5(18) . . . no C4 H4 H6 35.6(10) . . . no C4 H4 H6 35.6(10) . . . no C5 H4 C6 139.2(17) . . . no C5 H4 H1 104.5(14) . . . no C5 H4 H1 117.6(15) . . . no C5 H4 H1 85.1(12) . . . no C5 H4 H1 85.1(12) . . . no C5 H4 H2 136.1(17) . . . no C5 H4 H2 65.7(8) . . . no C5 H4 H2 136.1(17) . . . no C5 H4 H2 65.7(8) . . . no C5 H4 H3 160.9(29) . . . no C5 H4 H5 20.4(15) . . . no C5 H4 H6 12.3(6) . . . no C5 H4 H6 12.3(6) . . . no C6 H4 H1 34.7(9) . . . no C6 H4 H1 103.1(11) . . . no C6 H4 H1 94.0(12) . . . no C6 H4 H1 94.0(12) . . . no C6 H4 H2 12.8(5) . . . no C6 H4 H2 130.7(7) . . . no C6 H4 H2 12.8(5) . . . no C6 H4 H2 130.7(7) . . . no C6 H4 H3 21.6(20) . . . no C6 H4 H5 159.6(24) . . . no C6 H4 H6 137.4(18) . . . no C6 H4 H6 137.4(18) . . . no H1 H4 H1 137.8(13) . . . no H1 H4 H1 91.7(14) . . . no H1 H4 H1 91.7(14) . . . no H1 H4 H2 35.1(10) . . . no H1 H4 H2 127.4(10) . . . no H1 H4 H2 35.1(10) . . . no H1 H4 H2 127.4(10) . . . no H1 H4 H3 56.3(22) . . . no H1 H4 H5 124.9(22) . . . no H1 H4 H6 103.8(16) . . . no H1 H4 H6 103.8(16) . . . no H1 H4 H1 91.8(14) 1_554 1_554 1_554 no H1 H4 H1 91.8(14) 1_554 1_554 1_554 no H1 H4 H2 104.4(11) 1_554 1_554 1_554 no H1 H4 H2 74.3(11) 1_554 1_554 1_554 no H1 H4 H2 104.4(11) 1_554 1_554 1_554 no H1 H4 H2 74.3(11) 1_554 1_554 1_554 no H1 H4 H3 81.5(23) 1_554 1_554 1_554 no H1 H4 H5 97.3(20) 1_554 1_554 1_554 no H1 H4 H6 117.3(16) 1_554 1_554 1_554 no H1 H4 H6 117.3(16) 1_554 1_554 1_554 no H1 H4 H1 170.2(23) 3_664 3_664 3_664 no H1 H4 H2 106.6(15) 3_664 3_664 3_664 no H1 H4 H2 38.3(11) 3_664 3_664 3_664 no H1 H4 H2 81.3(12) 3_664 3_664 3_664 no H1 H4 H2 134.9(18) 3_664 3_664 3_664 no H1 H4 H3 94.8(12) 3_664 3_664 3_664 no H1 H4 H5 85.3(12) 3_664 3_664 3_664 no H1 H4 H6 97.4(14) 3_664 3_664 3_664 no H1 H4 H6 72.9(12) 3_664 3_664 3_664 no H1 H4 H2 81.3(12) 3_764 3_764 3_764 no H1 H4 H2 134.9(18) 3_764 3_764 3_764 no H1 H4 H2 106.6(15) 3_764 3_764 3_764 no H1 H4 H2 38.3(11) 3_764 3_764 3_764 no H1 H4 H3 94.8(12) 3_764 3_764 3_764 no H1 H4 H5 85.3(12) 3_764 3_764 3_764 no H1 H4 H6 72.9(12) 3_764 3_764 3_764 no H1 H4 H6 97.4(14) 3_764 3_764 3_764 no H2 H4 H2 143.4(11) . . . no H2 H4 H2 25.3(11) . . . no H2 H4 H2 118.4(5) . . . no H2 H4 H3 26.3(19) . . . no H2 H4 H5 154.7(21) . . . no H2 H4 H6 130.7(17) . . . no H2 H4 H6 138.2(18) . . . no H2 H4 H2 118.4(5) 4_464 4_464 4_464 no H2 H4 H2 96.8(15) 4_464 4_464 4_464 no H2 H4 H3 124.0(12) 4_464 4_464 4_464 no H2 H4 H5 55.4(9) 4_464 4_464 4_464 no H2 H4 H6 76.1(11) 4_464 4_464 4_464 no H2 H4 H6 56.1(10) 4_464 4_464 4_464 no H2 H4 H2 143.4(11) 2_755 2_755 2_755 no H2 H4 H3 26.3(19) 2_755 2_755 2_755 no H2 H4 H5 154.7(21) 2_755 2_755 2_755 no H2 H4 H6 138.2(18) 2_755 2_755 2_755 no H2 H4 H6 130.7(17) 2_755 2_755 2_755 no H2 H4 H3 124.0(12) 3_764 3_764 3_764 no H2 H4 H5 55.4(9) 3_764 3_764 3_764 no H2 H4 H6 56.1(10) 3_764 3_764 3_764 no H2 H4 H6 76.1(11) 3_764 3_764 3_764 no H3 H4 H5 178.8(30) . . . no H3 H4 H6 157.1(26) . . . no H3 H4 H6 157.1(26) . . . no H5 H4 H6 24.0(16) . . . no H5 H4 H6 24.0(16) . . . no H6 H4 H6 24.6(12) . . . no O1 H5 N1 140.1(19) 1_554 1_554 1_554 no O1 H5 C1 6.2(5) 1_554 1_554 1_554 no O1 H5 C2 96.7(14) 1_554 1_554 1_554 no O1 H5 C3 93.3(17) 1_554 1_554 1_554 no O1 H5 C4 125.7(22) 1_554 1_554 1_554 no O1 H5 C5 168.7(43) 1_554 1_554 1_554 no O1 H5 C6 60.8(8) 1_554 1_554 1_554 no O1 H5 C6 60.8(8) 1_554 1_554 1_554 no O1 H5 C7 162.6(20) 1_554 1_554 1_554 no O1 H5 C7 44.6(11) 1_554 1_554 1_554 no O1 H5 C8 56.6(12) 1_554 1_554 1_554 no O1 H5 C8 56.6(12) 1_554 1_554 1_554 no O1 H5 H1 82.1(13) 1_554 1_554 1_554 no O1 H5 H1 82.1(13) 1_554 1_554 1_554 no O1 H5 H2 64.3(13) 1_554 1_554 1_554 no O1 H5 H2 64.3(13) 1_554 1_554 1_554 no O1 H5 H4 72.7(18) 1_554 1_554 1_554 no O1 H5 H6 149.6(23) 1_554 1_554 1_554 no O1 H5 H6 149.6(23) 1_554 1_554 1_554 no O1 H5 H8 132.7(19) 1_554 1_554 1_554 no O1 H5 H8 132.7(19) 1_554 1_554 1_554 no N1 H5 C1 146.3(16) . . . no N1 H5 C2 43.4(7) . . . no N1 H5 C3 46.8(10) . . . no N1 H5 C4 14.4(7) . . . no N1 H5 C5 28.6(24) . . . no N1 H5 C6 110.3(9) . . . no N1 H5 C6 110.3(9) . . . no N1 H5 C7 22.5(4) . . . no N1 H5 C7 175.3(16) . . . no N1 H5 C8 157.0(10) . . . no N1 H5 C8 157.0(10) . . . no N1 H5 H1 77.5(13) . . . no N1 H5 H1 77.5(13) . . . no N1 H5 H2 109.7(14) . . . no N1 H5 H2 109.7(14) . . . no N1 H5 H4 67.4(17) . . . no N1 H5 H6 56.8(26) . . . no N1 H5 H6 56.7(26) . . . no N1 H5 H8 83.3(13) . . . no N1 H5 H8 83.3(13) . . . no C1 H5 C2 102.9(12) 1_554 1_554 1_554 no C1 H5 C3 99.5(15) 1_554 1_554 1_554 no C1 H5 C4 131.9(20) 1_554 1_554 1_554 no C1 H5 C5 174.9(39) 1_554 1_554 1_554 no C1 H5 C6 61.3(8) 1_554 1_554 1_554 no C1 H5 C6 61.3(8) 1_554 1_554 1_554 no C1 H5 C7 168.8(15) 1_554 1_554 1_554 no C1 H5 C7 38.4(6) 1_554 1_554 1_554 no C1 H5 C8 50.8(8) 1_554 1_554 1_554 no C1 H5 C8 50.8(8) 1_554 1_554 1_554 no C1 H5 H1 85.3(13) 1_554 1_554 1_554 no C1 H5 H1 85.3(13) 1_554 1_554 1_554 no C1 H5 H2 64.5(13) 1_554 1_554 1_554 no C1 H5 H2 64.4(13) 1_554 1_554 1_554 no C1 H5 H4 78.9(18) 1_554 1_554 1_554 no C1 H5 H6 147.0(24) 1_554 1_554 1_554 no C1 H5 H6 147.0(24) 1_554 1_554 1_554 no C1 H5 H8 127.3(16) 1_554 1_554 1_554 no C1 H5 H8 127.3(16) 1_554 1_554 1_554 no C2 H5 C3 3.4(5) . . . no C2 H5 C4 29.0(8) . . . no C2 H5 C5 71.9(31) . . . no C2 H5 C6 90.9(8) . . . no C2 H5 C6 90.9(8) . . . no C2 H5 C7 65.9(10) . . . no C2 H5 C7 141.3(15) . . . no C2 H5 C8 146.7(12) . . . no C2 H5 C8 146.7(12) . . . no C2 H5 H1 61.1(9) . . . no C2 H5 H1 61.2(9) . . . no C2 H5 H2 93.3(12) . . . no C2 H5 H2 93.3(12) . . . no C2 H5 H4 24.0(13) . . . no C2 H5 H6 94.3(29) . . . no C2 H5 H6 94.3(29) . . . no C2 H5 H8 123.0(15) . . . no C2 H5 H8 123.0(15) . . . no C3 H5 C4 32.4(8) . . . no C3 H5 C5 75.4(33) . . . no C3 H5 C6 89.2(9) . . . no C3 H5 C6 89.2(9) . . . no C3 H5 C7 69.3(14) . . . no C3 H5 C7 137.9(19) . . . no C3 H5 C8 143.8(16) . . . no C3 H5 C8 143.8(16) . . . no C3 H5 H1 60.4(9) . . . no C3 H5 H1 60.4(9) . . . no C3 H5 H2 91.8(12) . . . no C3 H5 H2 91.8(12) . . . no C3 H5 H4 20.5(11) . . . no C3 H5 H6 97.3(31) . . . no C3 H5 H6 97.3(31) . . . no C3 H5 H8 126.1(19) . . . no C3 H5 H8 126.1(19) . . . no C4 H5 C5 43.0(25) . . . no C4 H5 C6 104.5(10) . . . no C4 H5 C6 104.5(10) . . . no C4 H5 C7 36.9(11) . . . no C4 H5 C7 170.3(22) . . . no C4 H5 C8 162.2(3) . . . no C4 H5 C8 162.2(3) . . . no C4 H5 H1 70.9(12) . . . no C4 H5 H1 70.9(12) . . . no C4 H5 H2 105.0(14) . . . no C4 H5 H2 105.0(14) . . . no C4 H5 H4 52.9(16) . . . no C4 H5 H6 69.0(29) . . . no C4 H5 H6 68.9(29) . . . no C4 H5 H8 96.6(18) . . . no C4 H5 H8 96.6(18) . . . no C5 H5 C6 118.0(10) . . . no C5 H5 C6 118.0(10) . . . no C5 H5 C7 6.1(23) . . . no C5 H5 C7 146.7(36) . . . no C5 H5 C8 133.8(32) . . . no C5 H5 C8 133.8(32) . . . no C5 H5 H1 92.1(21) . . . no C5 H5 H1 92.1(21) . . . no C5 H5 H2 115.2(14) . . . no C5 H5 H2 115.2(14) . . . no C5 H5 H4 95.9(38) . . . no C5 H5 H6 35.8(22) . . . no C5 H5 H6 35.8(22) . . . no C5 H5 H8 57.3(25) . . . no C5 H5 H8 57.3(25) . . . no C6 H5 C6 121.4(15) 3_664 3_664 3_664 no C6 H5 C7 116.9(9) 3_664 3_664 3_664 no C6 H5 C7 71.5(9) 3_664 3_664 3_664 no C6 H5 C8 91.7(12) 3_664 3_664 3_664 no C6 H5 C8 59.8(7) 3_664 3_664 3_664 no C6 H5 H1 33.7(9) 3_664 3_664 3_664 no C6 H5 H1 131.1(15) 3_664 3_664 3_664 no C6 H5 H2 4.5(6) 3_664 3_664 3_664 no C6 H5 H2 125.1(19) 3_664 3_664 3_664 no C6 H5 H4 79.4(10) 3_664 3_664 3_664 no C6 H5 H6 147.3(21) 3_664 3_664 3_664 no C6 H5 H6 90.8(14) 3_664 3_664 3_664 no C6 H5 H8 91.4(8) 3_664 3_664 3_664 no C6 H5 H8 133.6(13) 3_664 3_664 3_664 no C6 H5 C7 116.9(9) 3_764 3_764 3_764 no C6 H5 C7 71.4(9) 3_764 3_764 3_764 no C6 H5 C8 59.8(7) 3_764 3_764 3_764 no C6 H5 C8 91.7(12) 3_764 3_764 3_764 no C6 H5 H1 131.1(15) 3_764 3_764 3_764 no C6 H5 H1 33.7(9) 3_764 3_764 3_764 no C6 H5 H2 125.1(19) 3_764 3_764 3_764 no C6 H5 H2 4.5(6) 3_764 3_764 3_764 no C6 H5 H4 79.4(10) 3_764 3_764 3_764 no C6 H5 H6 90.8(14) 3_764 3_764 3_764 no C6 H5 H6 147.3(21) 3_764 3_764 3_764 no C6 H5 H8 133.6(13) 3_764 3_764 3_764 no C6 H5 H8 91.4(8) 3_764 3_764 3_764 no C7 H5 C7 152.8(14) . . . no C7 H5 C8 139.3(12) . . . no C7 H5 C8 139.3(12) . . . no C7 H5 H1 88.9(14) . . . no C7 H5 H1 88.9(14) . . . no C7 H5 H2 114.5(14) . . . no C7 H5 H2 114.5(14) . . . no C7 H5 H4 89.8(20) . . . no C7 H5 H6 39.6(23) . . . no C7 H5 H6 39.6(23) . . . no C7 H5 H8 62.7(11) . . . no C7 H5 H8 62.7(11) . . . no C7 H5 C8 20.4(3) 1_554 1_554 1_554 no C7 H5 C8 20.4(3) 1_554 1_554 1_554 no C7 H5 H1 104.8(14) 1_554 1_554 1_554 no C7 H5 H1 104.8(14) 1_554 1_554 1_554 no C7 H5 H2 71.7(14) 1_554 1_554 1_554 no C7 H5 H2 71.7(14) 1_554 1_554 1_554 no C7 H5 H4 117.3(22) 1_554 1_554 1_554 no C7 H5 H6 119.3(28) 1_554 1_554 1_554 no C7 H5 H6 119.3(28) 1_554 1_554 1_554 no C7 H5 H8 92.4(13) 1_554 1_554 1_554 no C7 H5 H8 92.4(13) 1_554 1_554 1_554 no C8 H5 C8 35.6(5) 1_554 1_554 1_554 no C8 H5 H1 125.1(16) 1_554 1_554 1_554 no C8 H5 H1 93.1(11) 1_554 1_554 1_554 no C8 H5 H2 91.8(16) 1_554 1_554 1_554 no C8 H5 H2 58.7(12) 1_554 1_554 1_554 no C8 H5 H4 125.3(21) 1_554 1_554 1_554 no C8 H5 H6 101.1(25) 1_554 1_554 1_554 no C8 H5 H6 118.9(28) 1_554 1_554 1_554 no C8 H5 H8 90.1(13) 1_554 1_554 1_554 no C8 H5 H8 76.6(12) 1_554 1_554 1_554 no C8 H5 H1 93.1(11) 2_754 2_754 2_754 no C8 H5 H1 125.1(16) 2_754 2_754 2_754 no C8 H5 H2 58.7(12) 2_754 2_754 2_754 no C8 H5 H2 91.8(16) 2_754 2_754 2_754 no C8 H5 H4 125.3(21) 2_754 2_754 2_754 no C8 H5 H6 118.9(28) 2_754 2_754 2_754 no C8 H5 H6 101.1(25) 2_754 2_754 2_754 no C8 H5 H8 76.6(12) 2_754 2_754 2_754 no C8 H5 H8 90.1(13) 2_754 2_754 2_754 no H1 H5 H1 117.3(17) 3_664 3_664 3_664 no H1 H5 H2 34.4(12) 3_664 3_664 3_664 no H1 H5 H2 135.6(18) 3_664 3_664 3_664 no H1 H5 H4 58.7(8) 3_664 3_664 3_664 no H1 H5 H6 127.7(32) 3_664 3_664 3_664 no H1 H5 H6 78.6(17) 3_664 3_664 3_664 no H1 H5 H8 94.7(10) 3_664 3_664 3_664 no H1 H5 H8 137.3(16) 3_664 3_664 3_664 no H1 H5 H2 135.6(18) 3_764 3_764 3_764 no H1 H5 H2 34.4(12) 3_764 3_764 3_764 no H1 H5 H4 58.7(8) 3_764 3_764 3_764 no H1 H5 H6 78.6(17) 3_764 3_764 3_764 no H1 H5 H6 127.7(32) 3_764 3_764 3_764 no H1 H5 H8 137.3(16) 3_764 3_764 3_764 no H1 H5 H8 94.7(10) 3_764 3_764 3_764 no H2 H5 H2 128.7(25) 4_464 4_464 4_464 no H2 H5 H4 83.0(13) 4_464 4_464 4_464 no H2 H5 H6 143.1(24) 4_464 4_464 4_464 no H2 H5 H6 86.8(15) 4_464 4_464 4_464 no H2 H5 H8 86.8(11) 4_464 4_464 4_464 no H2 H5 H8 129.3(15) 4_464 4_464 4_464 no H2 H5 H4 83.0(13) 3_764 3_764 3_764 no H2 H5 H6 86.8(15) 3_764 3_764 3_764 no H2 H5 H6 143.1(24) 3_764 3_764 3_764 no H2 H5 H8 129.3(15) 3_764 3_764 3_764 no H2 H5 H8 86.8(11) 3_764 3_764 3_764 no H4 H5 H6 115.1(33) . . . no H4 H5 H6 115.1(33) . . . no H4 H5 H8 143.3(20) . . . no H4 H5 H8 143.3(20) . . . no H6 H5 H6 56.6(34) . . . no H6 H5 H8 59.0(20) . . . no H6 H5 H8 28.8(21) . . . no H6 H5 H8 28.8(21) 2_755 2_755 2_755 no H6 H5 H8 59.0(20) 2_755 2_755 2_755 no H8 H5 H8 44.9(15) 4_454 4_454 4_454 no CL1 H6 O1 99.4(8) . . . no CL1 H6 N1 71.1(9) . . . no CL1 H6 C3 70.3(7) . . . no CL1 H6 C4 74.1(10) . . . no CL1 H6 C5 110.8(23) . . . no CL1 H6 C7 82.1(11) . . . no CL1 H6 C8 68.0(9) . . . no CL1 H6 C8 102.9(13) . . . no CL1 H6 C9 80.3(9) . . . no CL1 H6 C9 93.6(9) . . . no CL1 H6 C10 70.9(7) . . . no CL1 H6 H1 30.4(9) . . . no CL1 H6 H2 60.6(9) . . . no CL1 H6 H4 75.5(8) . . . no CL1 H6 H5 108.9(18) . . . no CL1 H6 H6 143.6(6) . . . no CL1 H6 H7 48.9(7) . . . no CL1 H6 H7 110.1(13) . . . no CL1 H6 H8 153.0(16) . . . no CL1 H6 H8 103.3(15) . . . no CL1 H6 H9 56.6(10) . . . no O1 H6 N1 108.9(9) 1_554 1_554 1_554 no O1 H6 C3 62.8(6) 1_554 1_554 1_554 no O1 H6 C4 79.8(11) 1_554 1_554 1_554 no O1 H6 C5 54.6(27) 1_554 1_554 1_554 no O1 H6 C7 137.0(10) 1_554 1_554 1_554 no O1 H6 C8 157.1(11) 1_554 1_554 1_554 no O1 H6 C8 131.4(9) 1_554 1_554 1_554 no O1 H6 C9 173.0(11) 1_554 1_554 1_554 no O1 H6 C9 121.9(14) 1_554 1_554 1_554 no O1 H6 C10 119.9(12) 1_554 1_554 1_554 no O1 H6 H1 69.1(9) 1_554 1_554 1_554 no O1 H6 H2 48.4(9) 1_554 1_554 1_554 no O1 H6 H4 46.8(10) 1_554 1_554 1_554 no O1 H6 H5 18.7(17) 1_554 1_554 1_554 no O1 H6 H6 79.1(5) 1_554 1_554 1_554 no O1 H6 H7 145.6(11) 1_554 1_554 1_554 no O1 H6 H7 116.5(10) 1_554 1_554 1_554 no O1 H6 H8 107.4(14) 1_554 1_554 1_554 no O1 H6 H8 126.5(19) 1_554 1_554 1_554 no O1 H6 H9 116.0(16) 1_554 1_554 1_554 no N1 H6 C3 47.4(5) . . . no N1 H6 C4 29.1(7) . . . no N1 H6 C5 64.0(26) . . . no N1 H6 C7 30.8(5) . . . no N1 H6 C8 49.7(8) . . . no N1 H6 C8 43.1(7) . . . no N1 H6 C9 64.3(10) . . . no N1 H6 C9 128.7(16) . . . no N1 H6 C10 121.4(15) . . . no N1 H6 H1 83.6(11) . . . no N1 H6 H2 116.3(11) . . . no N1 H6 H4 63.3(10) . . . no N1 H6 H5 96.2(25) . . . no N1 H6 H6 75.1(8) . . . no N1 H6 H7 53.8(10) . . . no N1 H6 H7 42.1(7) . . . no N1 H6 H8 102.3(15) . . . no N1 H6 H8 124.1(20) . . . no N1 H6 H9 114.2(19) . . . no C3 H6 C4 19.4(4) . . . no C3 H6 C5 40.5(17) . . . no C3 H6 C7 78.0(10) . . . no C3 H6 C8 94.5(12) . . . no C3 H6 C8 85.2(10) . . . no C3 H6 C9 110.8(13) . . . no C3 H6 C9 163.9(13) . . . no C3 H6 C10 140.8(11) . . . no C3 H6 H1 58.1(7) . . . no C3 H6 H2 77.6(8) . . . no C3 H6 H4 16.1(8) . . . no C3 H6 H5 54.9(22) . . . no C3 H6 H6 77.1(6) . . . no C3 H6 H7 90.1(12) . . . no C3 H6 H7 76.2(9) . . . no C3 H6 H8 125.2(13) . . . no C3 H6 H8 170.2(22) . . . no C3 H6 H9 126.3(14) . . . no C4 H6 C5 42.1(18) . . . no C4 H6 C7 59.1(12) . . . no C4 H6 C8 78.3(15) . . . no C4 H6 C8 66.0(12) . . . no C4 H6 C9 93.4(16) . . . no C4 H6 C9 157.0(22) . . . no C4 H6 C10 142.0(18) . . . no C4 H6 H1 71.3(10) . . . no C4 H6 H2 95.9(12) . . . no C4 H6 H4 34.7(9) . . . no C4 H6 H5 68.4(23) . . . no C4 H6 H6 69.9(10) . . . no C4 H6 H7 78.4(16) . . . no C4 H6 H7 58.1(11) . . . no C4 H6 H8 113.3(16) . . . no C4 H6 H8 153.1(25) . . . no C4 H6 H9 129.5(20) . . . no C5 H6 C7 84.5(30) . . . no C5 H6 C8 110.5(35) . . . no C5 H6 C8 77.2(28) . . . no C5 H6 C9 118.9(34) . . . no C5 H6 C9 155.5(28) . . . no C5 H6 C10 174.2(40) . . . no C5 H6 H1 93.7(20) . . . no C5 H6 H2 96.4(27) . . . no C5 H6 H4 38.3(15) . . . no C5 H6 H5 36.6(24) . . . no C5 H6 H6 39.4(20) . . . no C5 H6 H7 117.8(35) . . . no C5 H6 H7 62.6(26) . . . no C5 H6 H8 87.9(22) . . . no C5 H6 H8 145.2(29) . . . no C5 H6 H9 164.9(27) . . . no C7 H6 C8 26.7(5) . . . no C7 H6 C8 20.7(3) . . . no C7 H6 C9 36.0(5) . . . no C7 H6 C9 100.6(12) . . . no C7 H6 C10 101.4(12) . . . no C7 H6 H1 105.5(14) . . . no C7 H6 H2 140.6(15) . . . no C7 H6 H4 93.8(12) . . . no C7 H6 H5 120.7(26) . . . no C7 H6 H6 75.5(7) . . . no C7 H6 H7 41.7(9) . . . no C7 H6 H7 31.1(6) . . . no C7 H6 H8 80.5(13) . . . no C7 H6 H8 94.0(17) . . . no C7 H6 H9 100.7(18) . . . no C8 H6 C8 41.8(6) . . . no C8 H6 C9 17.4(2) . . . no C8 H6 C9 79.1(9) . . . no C8 H6 C10 75.3(8) . . . no C8 H6 H1 97.3(13) . . . no C8 H6 H2 127.7(15) . . . no C8 H6 H4 110.4(15) . . . no C8 H6 H5 145.7(29) . . . no C8 H6 H6 99.6(6) . . . no C8 H6 H7 19.5(6) . . . no C8 H6 H7 55.7(8) . . . no C8 H6 H8 87.6(13) . . . no C8 H6 H8 76.0(15) . . . no C8 H6 H9 74.0(15) . . . no C8 H6 C9 42.6(5) 2_755 2_755 2_755 no C8 H6 C9 99.1(10) 2_755 2_755 2_755 no C8 H6 C10 108.1(11) 2_755 2_755 2_755 no C8 H6 H1 124.8(14) 2_755 2_755 2_755 no C8 H6 H2 159.3(14) 2_755 2_755 2_755 no C8 H6 H4 98.9(11) 2_755 2_755 2_755 no C8 H6 H5 112.8(22) 2_755 2_755 2_755 no C8 H6 H6 57.8(6) 2_755 2_755 2_755 no C8 H6 H7 60.0(10) 2_755 2_755 2_755 no C8 H6 H7 15.0(4) 2_755 2_755 2_755 no C8 H6 H8 61.2(11) 2_755 2_755 2_755 no C8 H6 H8 89.2(16) 2_755 2_755 2_755 no C8 H6 H9 112.3(17) 2_755 2_755 2_755 no C9 H6 C9 65.0(7) . . . no C9 H6 C10 66.7(7) . . . no C9 H6 H1 110.6(13) . . . no C9 H6 H2 135.1(14) . . . no C9 H6 H4 126.9(15) . . . no C9 H6 H5 155.3(26) . . . no C9 H6 H6 97.0(5) . . . no C9 H6 H7 32.2(6) . . . no C9 H6 H7 57.6(7) . . . no C9 H6 H8 73.5(12) . . . no C9 H6 H8 60.0(14) . . . no C9 H6 H9 69.7(13) . . . no C9 H6 C10 23.2(2) 3_754 3_754 3_754 no C9 H6 H1 107.7(10) 3_754 3_754 3_754 no C9 H6 H2 94.6(12) 3_754 3_754 3_754 no C9 H6 H4 160.7(14) 3_754 3_754 3_754 no C9 H6 H5 134.6(32) 3_754 3_754 3_754 no C9 H6 H6 118.3(6) 3_754 3_754 3_754 no C9 H6 H7 79.0(9) 3_754 3_754 3_754 no C9 H6 H7 110.9(11) 3_754 3_754 3_754 no C9 H6 H8 69.7(10) 3_754 3_754 3_754 no C9 H6 H8 12.5(10) 3_754 3_754 3_754 no C9 H6 H9 37.8(8) 3_754 3_754 3_754 no C10 H6 H1 85.3(9) 3_754 3_754 3_754 no C10 H6 H2 79.5(11) 3_754 3_754 3_754 no C10 H6 H4 140.5(11) 3_754 3_754 3_754 no C10 H6 H5 137.7(29) 3_754 3_754 3_754 no C10 H6 H6 141.3(5) 3_754 3_754 3_754 no C10 H6 H7 67.7(8) 3_754 3_754 3_754 no C10 H6 H7 122.5(12) 3_754 3_754 3_754 no C10 H6 H8 92.6(10) 3_754 3_754 3_754 no C10 H6 H8 34.8(11) 3_754 3_754 3_754 no C10 H6 H9 14.6(7) 3_754 3_754 3_754 no H1 H6 H2 35.1(11) 3_764 3_764 3_764 no H1 H6 H4 55.4(6) 3_764 3_764 3_764 no H1 H6 H5 80.2(16) 3_764 3_764 3_764 no H1 H6 H6 133.1(7) 3_764 3_764 3_764 no H1 H6 H7 78.8(12) 3_764 3_764 3_764 no H1 H6 H7 125.5(13) 3_764 3_764 3_764 no H1 H6 H8 174.0(18) 3_764 3_764 3_764 no H1 H6 H8 119.9(16) 3_764 3_764 3_764 no H1 H6 H9 71.3(10) 3_764 3_764 3_764 no H2 H6 H4 66.2(10) 3_764 3_764 3_764 no H2 H6 H5 66.0(18) 3_764 3_764 3_764 no H2 H6 H6 127.4(10) 3_764 3_764 3_764 no H2 H6 H7 108.2(14) 3_764 3_764 3_764 no H2 H6 H7 153.8(12) 3_764 3_764 3_764 no H2 H6 H8 138.9(18) 3_764 3_764 3_764 no H2 H6 H8 106.1(18) 3_764 3_764 3_764 no H2 H6 H9 70.6(13) 3_764 3_764 3_764 no H4 H6 H5 40.9(21) . . . no H4 H6 H6 77.7(6) . . . no H4 H6 H7 104.2(14) . . . no H4 H6 H7 88.0(10) . . . no H4 H6 H8 126.1(13) . . . no H4 H6 H8 171.9(22) . . . no H4 H6 H9 126.7(13) . . . no H5 H6 H6 61.7(17) . . . no H5 H6 H7 144.9(28) . . . no H5 H6 H7 97.9(22) . . . no H5 H6 H8 97.8(22) . . . no H5 H6 H8 134.9(35) . . . no H5 H6 H9 134.7(29) . . . no H6 H6 H7 117.1(8) 2_755 2_755 2_755 no H6 H6 H7 44.6(8) 2_755 2_755 2_755 no H6 H6 H8 48.8(9) 2_755 2_755 2_755 no H6 H6 H8 106.5(12) 2_755 2_755 2_755 no H6 H6 H9 155.5(9) 2_755 2_755 2_755 no H7 H6 H7 72.6(13) . . . no H7 H6 H8 105.6(15) . . . no H7 H6 H8 80.2(16) . . . no H7 H6 H9 62.0(14) . . . no H7 H6 H8 60.3(12) 2_755 2_755 2_755 no H7 H6 H8 99.8(16) 2_755 2_755 2_755 no H7 H6 H9 127.3(18) 2_755 2_755 2_755 no H8 H6 H8 57.8(18) 4_454 4_454 4_454 no H8 H6 H9 106.9(13) 4_454 4_454 4_454 no H8 H6 H9 49.2(14) 3_754 3_754 3_754 no CL1 H7 O1 99.0(6) . . . no CL1 H7 N1 84.0(8) . . . no CL1 H7 C1 84.2(6) . . . no CL1 H7 C4 68.0(6) . . . no CL1 H7 C5 72.1(7) . . . no CL1 H7 C6 75.9(6) . . . no CL1 H7 C7 115.1(12) . . . no CL1 H7 C8 145.8(24) . . . no CL1 H7 C8 127.1(10) . . . no CL1 H7 C8 69.2(6) . . . no CL1 H7 C9 160.8(14) . . . no CL1 H7 C9 145.8(11) . . . no CL1 H7 C10 159.2(13) . . . no CL1 H7 C10 75.3(7) . . . no CL1 H7 H2 80.9(8) . . . no CL1 H7 H2 93.0(8) . . . no CL1 H7 H3 60.8(19) . . . no CL1 H7 H6 70.7(10) . . . no CL1 H7 H6 84.8(10) . . . no CL1 H7 H7 61.2(6) . . . no CL1 H7 H8 147.6(17) . . . no CL1 H7 H8 92.9(13) . . . no CL1 H7 H8 100.9(12) . . . no CL1 H7 H9 62.2(9) . . . no O1 H7 N1 41.4(4) . . . no O1 H7 C1 20.5(2) . . . no O1 H7 C4 62.4(5) . . . no O1 H7 C5 83.9(6) . . . no O1 H7 C6 61.3(5) . . . no O1 H7 C7 50.9(6) . . . no O1 H7 C8 71.6(14) . . . no O1 H7 C8 57.7(5) . . . no O1 H7 C8 131.6(9) . . . no O1 H7 C9 97.0(10) . . . no O1 H7 C9 72.0(5) . . . no O1 H7 C10 87.6(7) . . . no O1 H7 C10 157.6(11) . . . no O1 H7 H2 74.2(7) . . . no O1 H7 H2 51.0(7) . . . no O1 H7 H3 68.0(10) . . . no O1 H7 H6 96.6(10) . . . no O1 H7 H6 82.9(9) . . . no O1 H7 H7 127.4(5) . . . no O1 H7 H8 112.6(16) . . . no O1 H7 H8 129.6(12) . . . no O1 H7 H8 136.8(14) . . . no O1 H7 H9 150.6(13) . . . no N1 H7 C1 24.3(2) . . . no N1 H7 C4 22.5(3) . . . no N1 H7 C5 42.5(5) . . . no N1 H7 C6 94.3(7) . . . no N1 H7 C7 33.3(4) . . . no N1 H7 C8 67.1(14) . . . no N1 H7 C8 46.1(5) . . . no N1 H7 C8 151.4(9) . . . no N1 H7 C9 101.3(11) . . . no N1 H7 C9 67.4(6) . . . no N1 H7 C10 88.2(8) . . . no N1 H7 C10 116.2(11) . . . no N1 H7 H2 109.5(8) . . . no N1 H7 H2 90.0(9) . . . no N1 H7 H3 93.3(9) . . . no N1 H7 H6 55.2(9) . . . no N1 H7 H6 43.0(8) . . . no N1 H7 H7 142.9(5) . . . no N1 H7 H8 124.5(14) . . . no N1 H7 H8 92.5(12) . . . no N1 H7 H8 175.2(13) . . . no N1 H7 H9 110.8(13) . . . no C1 H7 C4 42.7(3) . . . no C1 H7 C5 65.7(5) . . . no C1 H7 C6 70.7(5) . . . no C1 H7 C7 47.1(5) . . . no C1 H7 C8 76.8(14) . . . no C1 H7 C8 57.9(5) . . . no C1 H7 C8 136.9(8) . . . no C1 H7 C9 108.2(10) . . . no C1 H7 C9 77.1(6) . . . no C1 H7 C10 96.5(7) . . . no C1 H7 C10 138.5(11) . . . no C1 H7 H2 85.7(7) . . . no C1 H7 H2 65.7(8) . . . no C1 H7 H3 72.1(7) . . . no C1 H7 H6 78.3(9) . . . no C1 H7 H6 67.3(8) . . . no C1 H7 H7 129.9(5) . . . no C1 H7 H8 128.1(16) . . . no C1 H7 H8 116.8(12) . . . no C1 H7 H8 155.4(15) . . . no C1 H7 H9 130.1(13) . . . no C4 H7 C5 24.1(2) . . . no C4 H7 C6 104.6(6) . . . no C4 H7 C7 47.2(6) . . . no C4 H7 C8 78.8(17) . . . no C4 H7 C8 59.1(5) . . . no C4 H7 C8 136.8(9) . . . no C4 H7 C9 110.9(11) . . . no C4 H7 C9 78.9(6) . . . no C4 H7 C10 98.4(8) . . . no C4 H7 C10 95.8(9) . . . no C4 H7 H2 119.8(7) . . . no C4 H7 H2 106.1(8) . . . no C4 H7 H3 98.2(13) . . . no C4 H7 H6 36.2(7) . . . no C4 H7 H6 30.8(5) . . . no C4 H7 H7 129.1(5) . . . no C4 H7 H8 132.8(14) . . . no C4 H7 H8 77.9(11) . . . no C4 H7 H8 160.6(15) . . . no C4 H7 H9 88.8(11) . . . no C5 H7 C6 127.5(7) . . . no C5 H7 C7 51.8(7) . . . no C5 H7 C8 74.2(18) . . . no C5 H7 C8 59.7(5) . . . no C5 H7 C8 130.3(9) . . . no C5 H7 C9 99.2(10) . . . no C5 H7 C9 74.1(6) . . . no C5 H7 C10 89.1(7) . . . no C5 H7 C10 73.7(7) . . . no C5 H7 H2 141.9(7) . . . no C5 H7 H2 130.2(9) . . . no C5 H7 H3 118.5(17) . . . no C5 H7 H6 12.7(6) . . . no C5 H7 H6 12.8(5) . . . no C5 H7 H7 125.7(5) . . . no C5 H7 H8 116.7(15) . . . no C5 H7 H8 53.8(9) . . . no C5 H7 H8 138.8(13) . . . no C5 H7 H9 69.3(9) . . . no C6 H7 C7 112.1(10) 3_765 3_765 3_765 no C6 H7 C8 122.3(21) 3_765 3_765 3_765 no C6 H7 C8 116.9(8) 3_765 3_765 3_765 no C6 H7 C8 70.3(6) 3_765 3_765 3_765 no C6 H7 C9 121.6(14) 3_765 3_765 3_765 no C6 H7 C9 122.7(9) 3_765 3_765 3_765 no C6 H7 C10 124.1(10) 3_765 3_765 3_765 no C6 H7 C10 134.9(9) 3_765 3_765 3_765 no C6 H7 H2 15.5(4) 3_765 3_765 3_765 no C6 H7 H2 18.2(6) 3_765 3_765 3_765 no C6 H7 H3 15.2(18) 3_765 3_765 3_765 no C6 H7 H6 136.2(10) 3_765 3_765 3_765 no C6 H7 H6 135.2(9) 3_765 3_765 3_765 no C6 H7 H7 66.5(5) 3_765 3_765 3_765 no C6 H7 H8 112.7(18) 3_765 3_765 3_765 no C6 H7 H8 166.2(12) 3_765 3_765 3_765 no C6 H7 H8 87.0(11) 3_765 3_765 3_765 no C6 H7 H9 127.1(10) 3_765 3_765 3_765 no C7 H7 C8 33.8(10) . . . no C7 H7 C8 12.8(3) . . . no C7 H7 C8 175.3(10) . . . no C7 H7 C9 68.0(8) . . . no C7 H7 C9 34.1(4) . . . no C7 H7 C10 54.9(6) . . . no C7 H7 C10 111.2(11) . . . no C7 H7 H2 123.8(12) . . . no C7 H7 H2 99.4(12) . . . no C7 H7 H3 118.0(12) . . . no C7 H7 H6 61.0(11) . . . no C7 H7 H6 42.8(10) . . . no C7 H7 H7 176.1(7) . . . no C7 H7 H8 91.2(13) . . . no C7 H7 H8 79.7(12) . . . no C7 H7 H8 142.1(12) . . . no C7 H7 H9 114.1(14) . . . no C8 H7 C8 21.0(11) . . . no C8 H7 C8 141.5(17) . . . no C8 H7 C9 34.2(9) . . . no C8 H7 C9 0.4(10) . . . no C8 H7 C10 21.1(10) . . . no C8 H7 C10 100.7(16) . . . no C8 H7 H2 124.9(23) . . . no C8 H7 H2 104.4(22) . . . no C8 H7 H3 135.4(28) . . . no C8 H7 H6 77.7(20) . . . no C8 H7 H6 61.7(18) . . . no C8 H7 H7 150.0(14) . . . no C8 H7 H8 57.4(15) . . . no C8 H7 H8 71.4(18) . . . no C8 H7 H8 108.3(17) . . . no C8 H7 H9 110.4(19) . . . no C8 H7 C8 162.6(8) 2_755 2_755 2_755 no C8 H7 C9 55.2(6) 2_755 2_755 2_755 no C8 H7 C9 21.3(2) 2_755 2_755 2_755 no C8 H7 C10 42.2(3) 2_755 2_755 2_755 no C8 H7 C10 108.1(8) 2_755 2_755 2_755 no C8 H7 H2 125.7(10) 2_755 2_755 2_755 no C8 H7 H2 101.6(11) 2_755 2_755 2_755 no C8 H7 H3 125.6(13) 2_755 2_755 2_755 no C8 H7 H6 66.8(9) 2_755 2_755 2_755 no C8 H7 H6 48.8(8) 2_755 2_755 2_755 no C8 H7 H7 171.1(4) 2_755 2_755 2_755 no C8 H7 H8 78.4(12) 2_755 2_755 2_755 no C8 H7 H8 76.2(10) 2_755 2_755 2_755 no C8 H7 H8 129.3(11) 2_755 2_755 2_755 no C8 H7 H9 113.9(10) 2_755 2_755 2_755 no C8 H7 C9 107.4(9) 2_855 2_855 2_855 no C8 H7 C9 141.3(7) 2_855 2_855 2_855 no C8 H7 C10 120.4(7) 2_855 2_855 2_855 no C8 H7 C10 67.4(5) 2_855 2_855 2_855 no C8 H7 H2 57.8(7) 2_855 2_855 2_855 no C8 H7 H2 82.0(9) 2_855 2_855 2_855 no C8 H7 H3 65.4(9) 2_855 2_855 2_855 no C8 H7 H6 120.3(11) 2_855 2_855 2_855 no C8 H7 H6 138.3(11) 2_855 2_855 2_855 no C8 H7 H7 8.5(4) 2_855 2_855 2_855 no C8 H7 H8 84.1(13) 2_855 2_855 2_855 no C8 H7 H8 98.5(9) 2_855 2_855 2_855 no C8 H7 H8 33.2(8) 2_855 2_855 2_855 no C8 H7 H9 65.7(7) 2_855 2_855 2_855 no C9 H7 C9 33.9(5) . . . no C9 H7 C10 13.1(3) . . . no C9 H7 C10 85.9(7) . . . no C9 H7 H2 113.9(14) . . . no C9 H7 H2 105.4(14) . . . no C9 H7 H3 136.3(27) . . . no C9 H7 H6 96.9(12) . . . no C9 H7 H6 86.6(11) . . . no C9 H7 H7 115.9(8) . . . no C9 H7 H8 23.3(10) . . . no C9 H7 H8 68.5(10) . . . no C9 H7 H8 74.1(11) . . . no C9 H7 H9 98.9(11) . . . no C9 H7 C10 20.9(2) 2_755 2_755 2_755 no C9 H7 C10 100.3(6) 2_755 2_755 2_755 no C9 H7 H2 125.2(10) 2_755 2_755 2_755 no C9 H7 H2 104.8(11) 2_755 2_755 2_755 no C9 H7 H3 135.8(19) 2_755 2_755 2_755 no C9 H7 H6 77.6(9) 2_755 2_755 2_755 no C9 H7 H6 61.7(8) 2_755 2_755 2_755 no C9 H7 H7 149.8(4) 2_755 2_755 2_755 no C9 H7 H8 57.2(11) 2_755 2_755 2_755 no C9 H7 H8 71.0(9) 2_755 2_755 2_755 no C9 H7 H8 108.0(10) 2_755 2_755 2_755 no C9 H7 H9 110.1(9) 2_755 2_755 2_755 no C10 H7 C10 91.0(6) . . . no C10 H7 H2 120.0(11) . . . no C10 H7 H2 106.4(12) . . . no C10 H7 H3 139.2(24) . . . no C10 H7 H6 89.0(9) . . . no C10 H7 H6 76.4(8) . . . no C10 H7 H7 128.9(5) . . . no C10 H7 H8 36.3(10) . . . no C10 H7 H8 68.1(9) . . . no C10 H7 H8 87.2(9) . . . no C10 H7 H9 103.3(9) . . . no C10 H7 H2 125.0(9) 3_754 3_754 3_754 no C10 H7 H2 149.3(11) 3_754 3_754 3_754 no C10 H7 H3 123.9(17) 3_754 3_754 3_754 no C10 H7 H6 60.9(8) 3_754 3_754 3_754 no C10 H7 H6 75.0(8) 3_754 3_754 3_754 no C10 H7 H7 69.4(5) 3_754 3_754 3_754 no C10 H7 H8 77.7(15) 3_754 3_754 3_754 no C10 H7 H8 31.9(7) 3_754 3_754 3_754 no C10 H7 H8 65.5(10) 3_754 3_754 3_754 no C10 H7 H9 13.3(7) 3_754 3_754 3_754 no H2 H7 H2 24.4(10) 4_565 4_565 4_565 no H2 H7 H3 23.9(18) 4_565 4_565 4_565 no H2 H7 H6 148.4(11) 4_565 4_565 4_565 no H2 H7 H6 150.6(9) 4_565 4_565 4_565 no H2 H7 H7 55.7(7) 4_565 4_565 4_565 no H2 H7 H8 100.6(17) 4_565 4_565 4_565 no H2 H7 H8 156.2(12) 4_565 4_565 4_565 no H2 H7 H8 71.6(11) 4_565 4_565 4_565 no H2 H7 H9 120.4(11) 4_565 4_565 4_565 no H2 H7 H3 33.0(19) 3_765 3_765 3_765 no H2 H7 H6 142.0(11) 3_765 3_765 3_765 no H2 H7 H6 133.0(12) 3_765 3_765 3_765 no H2 H7 H7 80.1(8) 3_765 3_765 3_765 no H2 H7 H8 101.3(19) 3_765 3_765 3_765 no H2 H7 H8 173.8(14) 3_765 3_765 3_765 no H2 H7 H8 89.9(13) 3_765 3_765 3_765 no H2 H7 H9 144.2(12) 3_765 3_765 3_765 no H3 H7 H6 124.6(21) 3_765 3_765 3_765 no H3 H7 H6 128.7(16) 3_765 3_765 3_765 no H3 H7 H7 59.8(9) 3_765 3_765 3_765 no H3 H7 H8 124.5(25) 3_765 3_765 3_765 no H3 H7 H8 152.2(23) 3_765 3_765 3_765 no H3 H7 H8 89.2(15) 3_765 3_765 3_765 no H3 H7 H9 114.0(18) 3_765 3_765 3_765 no H6 H7 H6 18.3(9) . . . no H6 H7 H7 117.1(8) . . . no H6 H7 H8 110.7(17) . . . no H6 H7 H8 42.6(10) . . . no H6 H7 H8 126.2(14) . . . no H6 H7 H9 57.0(10) . . . no H6 H7 H7 135.4(8) 2_755 2_755 2_755 no H6 H7 H8 105.2(15) 2_755 2_755 2_755 no H6 H7 H8 49.5(10) 2_755 2_755 2_755 no H6 H7 H8 136.8(13) 2_755 2_755 2_755 no H6 H7 H9 73.5(10) 2_755 2_755 2_755 no H7 H7 H8 92.6(12) 2_855 2_855 2_855 no H7 H7 H8 101.2(9) 2_855 2_855 2_855 no H7 H7 H8 41.7(9) 2_855 2_855 2_855 no H7 H7 H9 65.6(7) 2_855 2_855 2_855 no H8 H7 H8 72.6(10) . . . no H8 H7 H8 50.9(17) . . . no H8 H7 H9 90.7(17) . . . no H8 H7 H8 87.2(8) 3_754 3_754 3_754 no H8 H7 H9 39.2(9) 3_754 3_754 3_754 no H8 H7 H9 71.8(13) 2_855 2_855 2_855 no C5 H8 C7 156.2(18) 3_755 3_755 3_755 no C5 H8 C7 45.9(6) 3_755 3_755 3_755 no C5 H8 C8 158.2(25) 3_755 3_755 3_755 no C5 H8 C8 142.1(14) 3_755 3_755 3_755 no C5 H8 C8 62.1(9) 3_755 3_755 3_755 no C5 H8 C9 140.8(33) 3_755 3_755 3_755 no C5 H8 C9 81.1(11) 3_755 3_755 3_755 no C5 H8 C9 123.0(13) 3_755 3_755 3_755 no C5 H8 C9 82.9(12) 3_755 3_755 3_755 no C5 H8 C9 71.4(9) 3_755 3_755 3_755 no C5 H8 C10 109.0(16) 3_755 3_755 3_755 no C5 H8 C10 82.6(11) 3_755 3_755 3_755 no C5 H8 C10 85.2(11) 3_755 3_755 3_755 no C5 H8 H5 13.6(10) 3_755 3_755 3_755 no C5 H8 H6 15.9(6) 3_755 3_755 3_755 no C5 H8 H6 9.0(8) 3_755 3_755 3_755 no C5 H8 H7 143.9(21) 3_755 3_755 3_755 no C5 H8 H7 62.7(10) 3_755 3_755 3_755 no C5 H8 H7 103.4(13) 3_755 3_755 3_755 no C5 H8 H8 92.3(17) 3_755 3_755 3_755 no C5 H8 H8 115.4(7) 3_755 3_755 3_755 no C5 H8 H8 95.0(18) 3_755 3_755 3_755 no C5 H8 H8 64.6(7) 3_755 3_755 3_755 no C5 H8 H9 85.2(15) 3_755 3_755 3_755 no C5 H8 H9 95.0(13) 3_755 3_755 3_755 no C7 H8 C7 151.8(16) . . . no C7 H8 C8 15.3(5) . . . no C7 H8 C8 21.4(3) . . . no C7 H8 C8 131.7(15) . . . no C7 H8 C9 21.1(19) . . . no C7 H8 C9 79.9(12) . . . no C7 H8 C9 43.1(6) . . . no C7 H8 C9 115.5(14) . . . no C7 H8 C9 120.4(13) . . . no C7 H8 C10 57.8(11) . . . no C7 H8 C10 84.5(12) . . . no C7 H8 C10 117.5(14) . . . no C7 H8 H5 143.7(17) . . . no C7 H8 H6 162.8(20) . . . no C7 H8 H6 151.0(21) . . . no C7 H8 H7 40.7(10) . . . no C7 H8 H7 124.0(14) . . . no C7 H8 H7 86.4(11) . . . no C7 H8 H8 67.1(15) . . . no C7 H8 H8 51.9(7) . . . no C7 H8 H8 101.5(19) . . . no C7 H8 H8 128.1(7) . . . no C7 H8 H9 81.4(14) . . . no C7 H8 H9 75.1(11) . . . no C7 H8 C8 155.5(22) 3_755 3_755 3_755 no C7 H8 C8 137.4(14) 3_755 3_755 3_755 no C7 H8 C8 20.7(3) 3_755 3_755 3_755 no C7 H8 C9 139.4(36) 3_755 3_755 3_755 no C7 H8 C9 126.9(12) 3_755 3_755 3_755 no C7 H8 C9 119.5(13) 3_755 3_755 3_755 no C7 H8 C9 37.2(6) 3_755 3_755 3_755 no C7 H8 C9 75.9(9) 3_755 3_755 3_755 no C7 H8 C10 107.2(18) 3_755 3_755 3_755 no C7 H8 C10 123.7(12) 3_755 3_755 3_755 no C7 H8 C10 41.4(6) 3_755 3_755 3_755 no C7 H8 H5 59.5(12) 3_755 3_755 3_755 no C7 H8 H6 45.2(11) 3_755 3_755 3_755 no C7 H8 H6 45.9(14) 3_755 3_755 3_755 no C7 H8 H7 144.7(19) 3_755 3_755 3_755 no C7 H8 H7 32.6(7) 3_755 3_755 3_755 no C7 H8 H7 106.5(13) 3_755 3_755 3_755 no C7 H8 H8 138.1(20) 3_755 3_755 3_755 no C7 H8 H8 111.3(6) 3_755 3_755 3_755 no C7 H8 H8 50.6(11) 3_755 3_755 3_755 no C7 H8 H8 68.7(6) 3_755 3_755 3_755 no C7 H8 H9 88.0(18) 3_755 3_755 3_755 no C7 H8 H9 132.2(13) 3_755 3_755 3_755 no C8 H8 C8 36.7(8) . . . no C8 H8 C8 139.3(22) . . . no C8 H8 C9 36.3(19) . . . no C8 H8 C9 77.1(16) . . . no C8 H8 C9 58.4(11) . . . no C8 H8 C9 118.9(20) . . . no C8 H8 C9 105.1(15) . . . no C8 H8 C10 73.0(16) . . . no C8 H8 C10 76.7(16) . . . no C8 H8 C10 114.8(19) . . . no C8 H8 H5 144.8(23) . . . no C8 H8 H6 153.9(23) . . . no C8 H8 H6 158.3(28) . . . no C8 H8 H7 25.5(9) . . . no C8 H8 H7 135.9(20) . . . no C8 H8 H7 71.1(12) . . . no C8 H8 H8 66.4(18) . . . no C8 H8 H8 67.2(12) . . . no C8 H8 H8 106.7(24) . . . no C8 H8 H8 112.8(12) . . . no C8 H8 H9 96.6(19) . . . no C8 H8 H9 65.2(14) . . . no C8 H8 C8 117.1(13) 2_755 2_755 2_755 no C8 H8 C9 2.7(25) 2_755 2_755 2_755 no C8 H8 C9 85.1(11) 2_755 2_755 2_755 no C8 H8 C9 21.7(3) 2_755 2_755 2_755 no C8 H8 C9 107.9(13) 2_755 2_755 2_755 no C8 H8 C9 141.8(14) 2_755 2_755 2_755 no C8 H8 C10 36.4(9) 2_755 2_755 2_755 no C8 H8 C10 96.0(12) 2_755 2_755 2_755 no C8 H8 C10 117.6(13) 2_755 2_755 2_755 no C8 H8 H5 134.2(14) 2_755 2_755 2_755 no C8 H8 H6 157.2(15) 2_755 2_755 2_755 no C8 H8 H6 134.1(17) 2_755 2_755 2_755 no C8 H8 H7 62.1(12) 2_755 2_755 2_755 no C8 H8 H7 105.7(12) 2_755 2_755 2_755 no C8 H8 H7 107.8(13) 2_755 2_755 2_755 no C8 H8 H8 71.1(15) 2_755 2_755 2_755 no C8 H8 H8 30.5(7) 2_755 2_755 2_755 no C8 H8 H8 93.1(17) 2_755 2_755 2_755 no C8 H8 H8 149.5(7) 2_755 2_755 2_755 no C8 H8 H9 60.3(12) 2_755 2_755 2_755 no C8 H8 H9 89.9(12) 2_755 2_755 2_755 no C8 H8 C9 119.2(35) 3_755 3_755 3_755 no C8 H8 C9 141.8(14) 3_755 3_755 3_755 no C8 H8 C9 100.8(13) 3_755 3_755 3_755 no C8 H8 C9 23.2(4) 3_755 3_755 3_755 no C8 H8 C9 93.3(12) 3_755 3_755 3_755 no C8 H8 C10 90.3(16) 3_755 3_755 3_755 no C8 H8 C10 143.6(14) 3_755 3_755 3_755 no C8 H8 C10 37.6(6) 3_755 3_755 3_755 no C8 H8 H5 75.0(13) 3_755 3_755 3_755 no C8 H8 H6 64.8(12) 3_755 3_755 3_755 no C8 H8 H6 59.3(15) 3_755 3_755 3_755 no C8 H8 H7 142.5(22) 3_755 3_755 3_755 no C8 H8 H7 16.7(5) 3_755 3_755 3_755 no C8 H8 H7 119.1(15) 3_755 3_755 3_755 no C8 H8 H8 148.4(20) 3_755 3_755 3_755 no C8 H8 H8 93.3(7) 3_755 3_755 3_755 no C8 H8 H8 32.9(9) 3_755 3_755 3_755 no C8 H8 H8 86.7(7) 3_755 3_755 3_755 no C8 H8 H9 75.2(18) 3_755 3_755 3_755 no C8 H8 H9 152.8(14) 3_755 3_755 3_755 no C9 H8 C9 82.4(34) . . . no C9 H8 C9 22.2(19) . . . no C9 H8 C9 110.6(36) . . . no C9 H8 C9 141.2(33) . . . no C9 H8 C10 36.8(17) . . . no C9 H8 C10 93.4(35) . . . no C9 H8 C10 120.3(37) . . . no C9 H8 H5 132.3(34) . . . no C9 H8 H6 155.4(35) . . . no C9 H8 H6 133.1(35) . . . no C9 H8 H7 61.7(26) . . . no C9 H8 H7 107.4(32) . . . no C9 H8 H7 107.3(30) . . . no C9 H8 H8 68.3(34) . . . no C9 H8 H8 31.1(27) . . . no C9 H8 H8 95.8(38) . . . no C9 H8 H8 148.9(27) . . . no C9 H8 H9 60.4(22) . . . no C9 H8 H9 87.6(33) . . . no C9 H8 C9 90.1(12) 3_754 3_754 3_754 no C9 H8 C9 164.0(14) 3_754 3_754 3_754 no C9 H8 C9 84.0(10) 3_754 3_754 3_754 no C9 H8 C10 92.2(18) 3_754 3_754 3_754 no C9 H8 C10 20.1(3) 3_754 3_754 3_754 no C9 H8 C10 155.5(13) 3_754 3_754 3_754 no C9 H8 H5 67.7(11) 3_754 3_754 3_754 no C9 H8 H6 82.9(13) 3_754 3_754 3_754 no C9 H8 H6 82.8(16) 3_754 3_754 3_754 no C9 H8 H7 74.6(16) 3_754 3_754 3_754 no C9 H8 H7 133.8(14) 3_754 3_754 3_754 no C9 H8 H7 77.4(12) 3_754 3_754 3_754 no C9 H8 H8 14.0(7) 3_754 3_754 3_754 no C9 H8 H8 93.3(6) 3_754 3_754 3_754 no C9 H8 H8 170.8(19) 3_754 3_754 3_754 no C9 H8 H8 86.7(6) 3_754 3_754 3_754 no C9 H8 H9 92.6(21) 3_754 3_754 3_754 no C9 H8 H9 29.7(7) 3_754 3_754 3_754 no C9 H8 C9 98.7(13) 2_755 2_755 2_755 no C9 H8 C9 163.4(16) 2_755 2_755 2_755 no C9 H8 C10 14.7(6) 2_755 2_755 2_755 no C9 H8 C10 106.2(14) 2_755 2_755 2_755 no C9 H8 C10 114.4(14) 2_755 2_755 2_755 no C9 H8 H5 118.7(13) 2_755 2_755 2_755 no C9 H8 H6 138.9(15) 2_755 2_755 2_755 no C9 H8 H6 114.3(17) 2_755 2_755 2_755 no C9 H8 H7 83.8(15) 2_755 2_755 2_755 no C9 H8 H7 86.9(11) 2_755 2_755 2_755 no C9 H8 H7 129.5(15) 2_755 2_755 2_755 no C9 H8 H8 76.9(16) 2_755 2_755 2_755 no C9 H8 H8 8.8(8) 2_755 2_755 2_755 no C9 H8 H8 85.0(17) 2_755 2_755 2_755 no C9 H8 H8 171.2(8) 2_755 2_755 2_755 no C9 H8 H9 38.8(10) 2_755 2_755 2_755 no C9 H8 H9 104.3(14) 2_755 2_755 2_755 no C9 H8 C9 90.8(12) 3_755 3_755 3_755 no C9 H8 C10 93.1(18) 3_755 3_755 3_755 no C9 H8 C10 155.0(13) 3_755 3_755 3_755 no C9 H8 C10 20.2(3) 3_755 3_755 3_755 no C9 H8 H5 96.3(15) 3_755 3_755 3_755 no C9 H8 H6 81.7(14) 3_755 3_755 3_755 no C9 H8 H6 81.5(17) 3_755 3_755 3_755 no C9 H8 H7 119.3(20) 3_755 3_755 3_755 no C9 H8 H7 34.8(7) 3_755 3_755 3_755 no C9 H8 H7 106.3(14) 3_755 3_755 3_755 no C9 H8 H8 170.4(20) 3_755 3_755 3_755 no C9 H8 H8 93.7(7) 3_755 3_755 3_755 no C9 H8 H8 14.8(6) 3_755 3_755 3_755 no C9 H8 H8 86.3(7) 3_755 3_755 3_755 no C9 H8 H9 86.2(21) 3_755 3_755 3_755 no C9 H8 H9 153.6(13) 3_755 3_755 3_755 no C9 H8 C10 176.1(25) 2_855 2_855 2_855 no C9 H8 C10 65.3(8) 2_855 2_855 2_855 no C9 H8 C10 72.4(9) 2_855 2_855 2_855 no C9 H8 H5 73.3(9) 2_855 2_855 2_855 no C9 H8 H6 55.7(9) 2_855 2_855 2_855 no C9 H8 H6 80.4(13) 2_855 2_855 2_855 no C9 H8 H7 79.7(13) 2_855 2_855 2_855 no C9 H8 H7 108.3(14) 2_855 2_855 2_855 no C9 H8 H7 34.0(6) 2_855 2_855 2_855 no C9 H8 H8 95.6(15) 2_855 2_855 2_855 no C9 H8 H8 172.3(8) 2_855 2_855 2_855 no C9 H8 H8 102.8(16) 2_855 2_855 2_855 no C9 H8 H8 7.7(8) 2_855 2_855 2_855 no C9 H8 H9 156.6(19) 2_855 2_855 2_855 no C9 H8 H9 63.9(8) 2_855 2_855 2_855 no C10 H8 C10 110.8(20) . . . no C10 H8 C10 111.5(20) . . . no C10 H8 H5 106.2(16) . . . no C10 H8 H6 124.8(18) . . . no C10 H8 H6 100.1(19) . . . no C10 H8 H7 98.4(20) . . . no C10 H8 H7 75.1(15) . . . no C10 H8 H7 144.0(21) . . . no C10 H8 H8 80.5(21) . . . no C10 H8 H8 6.4(13) . . . no C10 H8 H8 81.1(20) . . . no C10 H8 H8 173.6(13) . . . no C10 H8 H9 24.1(9) . . . no C10 H8 H9 112.2(21) . . . no C10 H8 C10 137.7(11) 3_754 3_754 3_754 no C10 H8 H5 70.8(11) 3_754 3_754 3_754 no C10 H8 H6 78.8(12) 3_754 3_754 3_754 no C10 H8 H6 87.2(16) 3_754 3_754 3_754 no C10 H8 H7 65.6(15) 3_754 3_754 3_754 no C10 H8 H7 144.1(14) 3_754 3_754 3_754 no C10 H8 H7 58.0(10) 3_754 3_754 3_754 no C10 H8 H8 30.3(8) 3_754 3_754 3_754 no C10 H8 H8 110.9(7) 3_754 3_754 3_754 no C10 H8 H8 168.0(19) 3_754 3_754 3_754 no C10 H8 H8 69.1(7) 3_754 3_754 3_754 no C10 H8 H9 112.6(23) 3_754 3_754 3_754 no C10 H8 H9 13.8(6) 3_754 3_754 3_754 no C10 H8 H5 98.5(14) 3_755 3_755 3_755 no C10 H8 H6 78.5(13) 3_755 3_755 3_755 no C10 H8 H6 86.8(17) 3_755 3_755 3_755 no C10 H8 H7 106.5(17) 3_755 3_755 3_755 no C10 H8 H7 52.6(9) 3_755 3_755 3_755 no C10 H8 H7 86.2(11) 3_755 3_755 3_755 no C10 H8 H8 167.9(19) 3_755 3_755 3_755 no C10 H8 H8 111.0(6) 3_755 3_755 3_755 no C10 H8 H8 30.4(8) 3_755 3_755 3_755 no C10 H8 H8 69.0(6) 3_755 3_755 3_755 no C10 H8 H9 106.5(22) 3_755 3_755 3_755 no C10 H8 H9 133.5(12) 3_755 3_755 3_755 no H5 H8 H6 23.2(10) 3_755 3_755 3_755 no H5 H8 H6 16.4(15) 3_755 3_755 3_755 no H5 H8 H7 135.2(21) 3_755 3_755 3_755 no H5 H8 H7 73.6(13) 3_755 3_755 3_755 no H5 H8 H7 101.5(13) 3_755 3_755 3_755 no H5 H8 H8 78.7(16) 3_755 3_755 3_755 no H5 H8 H8 112.4(7) 3_755 3_755 3_755 no H5 H8 H8 107.9(20) 3_755 3_755 3_755 no H5 H8 H8 67.6(7) 3_755 3_755 3_755 no H5 H8 H9 84.0(15) 3_755 3_755 3_755 no H5 H8 H9 83.9(14) 3_755 3_755 3_755 no H6 H8 H6 24.7(13) 4 4 4 no H6 H8 H7 131.9(19) 4 4 4 no H6 H8 H7 70.1(13) 4 4 4 no H6 H8 H7 88.4(12) 4 4 4 no H6 H8 H8 95.9(18) 4 4 4 no H6 H8 H8 131.2(9) 4 4 4 no H6 H8 H8 95.7(20) 4 4 4 no H6 H8 H8 48.8(9) 4 4 4 no H6 H8 H9 100.9(16) 4 4 4 no H6 H8 H9 89.2(14) 4 4 4 no H6 H8 H7 151.2(25) 3_755 3_755 3_755 no H6 H8 H7 57.2(15) 3_755 3_755 3_755 no H6 H8 H7 112.3(17) 3_755 3_755 3_755 no H6 H8 H8 92.5(20) 3_755 3_755 3_755 no H6 H8 H8 106.5(12) 3_755 3_755 3_755 no H6 H8 H8 92.1(22) 3_755 3_755 3_755 no H6 H8 H8 73.5(12) 3_755 3_755 3_755 no H6 H8 H9 76.2(17) 3_755 3_755 3_755 no H6 H8 H9 100.3(18) 3_755 3_755 3_755 no H7 H8 H7 150.2(24) . . . no H7 H8 H7 45.6(12) . . . no H7 H8 H8 69.1(18) . . . no H7 H8 H8 92.6(12) . . . no H7 H8 H8 112.5(24) . . . no H7 H8 H8 87.4(12) . . . no H7 H8 H9 121.8(22) . . . no H7 H8 H9 52.0(14) . . . no H7 H8 H7 135.8(18) 3_755 3_755 3_755 no H7 H8 H8 135.7(20) 3_755 3_755 3_755 no H7 H8 H8 78.8(9) 3_755 3_755 3_755 no H7 H8 H8 38.3(11) 3_755 3_755 3_755 no H7 H8 H8 101.2(9) 3_755 3_755 3_755 no H7 H8 H9 58.6(17) 3_755 3_755 3_755 no H7 H8 H9 157.5(16) 3_755 3_755 3_755 no H7 H8 H8 82.9(15) 2_855 2_855 2_855 no H7 H8 H8 138.3(9) 2_855 2_855 2_855 no H7 H8 H8 111.7(18) 2_855 2_855 2_855 no H7 H8 H8 41.7(9) 2_855 2_855 2_855 no H7 H8 H9 165.5(25) 2_855 2_855 2_855 no H7 H8 H9 48.4(9) 2_855 2_855 2_855 no H8 H8 H8 80.8(13) 3_754 3_754 3_754 no H8 H8 H8 161.6(26) 3_754 3_754 3_754 no H8 H8 H8 99.2(13) 3_754 3_754 3_754 no H8 H8 H9 85.0(24) 3_754 3_754 3_754 no H8 H8 H9 34.9(9) 3_754 3_754 3_754 no H8 H8 H8 80.8(13) 2_755 2_755 2_755 no H8 H8 H8 180.00000(10) 2_755 2_755 2_755 no H8 H8 H9 30.4(13) 2_755 2_755 2_755 no H8 H8 H9 110.7(7) 2_755 2_755 2_755 no H8 H8 H8 99.2(13) 3_755 3_755 3_755 no H8 H8 H9 78.7(23) 3_755 3_755 3_755 no H8 H8 H9 159.5(20) 3_755 3_755 3_755 no H8 H8 H9 149.6(13) 2_855 2_855 2_855 no H8 H8 H9 69.3(7) 2_855 2_855 2_855 no H9 H8 H9 119.9(26) . . . no CL1 H9 C5 65.4(5) 3_755 3_755 3_755 no CL1 H9 C5 65.4(5) 3_755 3_755 3_755 no CL1 H9 C7 176.7(18) 3_755 3_755 3_755 no CL1 H9 C8 157.9(5) 3_755 3_755 3_755 no CL1 H9 C8 64.7(8) 3_755 3_755 3_755 no CL1 H9 C8 157.9(5) 3_755 3_755 3_755 no CL1 H9 C8 64.7(8) 3_755 3_755 3_755 no CL1 H9 C9 143.6(8) 3_755 3_755 3_755 no CL1 H9 C9 143.6(8) 3_755 3_755 3_755 no CL1 H9 C10 167.8(41) 3_755 3_755 3_755 no CL1 H9 H2 59.7(9) 3_755 3_755 3_755 no CL1 H9 H2 59.7(9) 3_755 3_755 3_755 no CL1 H9 H6 68.2(10) 3_755 3_755 3_755 no CL1 H9 H6 68.2(10) 3_755 3_755 3_755 no CL1 H9 H7 51.7(8) 3_755 3_755 3_755 no CL1 H9 H7 51.7(8) 3_755 3_755 3_755 no CL1 H9 H8 119.4(14) 3_755 3_755 3_755 no CL1 H9 H8 87.6(14) 3_755 3_755 3_755 no CL1 H9 H8 119.4(14) 3_755 3_755 3_755 no CL1 H9 H8 87.6(14) 3_755 3_755 3_755 no C5 H9 C5 124.2(10) 3_655 3_655 3_655 no C5 H9 C7 115.4(6) 3_655 3_655 3_655 no C5 H9 C8 136.7(9) 3_655 3_655 3_655 no C5 H9 C8 55.2(3) 3_655 3_655 3_655 no C5 H9 C8 94.3(3) 3_655 3_655 3_655 no C5 H9 C8 120.0(11) 3_655 3_655 3_655 no C5 H9 C9 151.0(13) 3_655 3_655 3_655 no C5 H9 C9 81.0(2) 3_655 3_655 3_655 no C5 H9 C10 116.9(7) 3_655 3_655 3_655 no C5 H9 H2 78.6(9) 3_655 3_655 3_655 no C5 H9 H2 54.6(7) 3_655 3_655 3_655 no C5 H9 H6 3.5(6) 3_655 3_655 3_655 no C5 H9 H6 127.6(13) 3_655 3_655 3_655 no C5 H9 H7 61.2(7) 3_655 3_655 3_655 no C5 H9 H7 104.4(11) 3_655 3_655 3_655 no C5 H9 H8 173.3(25) 3_655 3_655 3_655 no C5 H9 H8 82.5(9) 3_655 3_655 3_655 no C5 H9 H8 58.0(11) 3_655 3_655 3_655 no C5 H9 H8 119.6(13) 3_655 3_655 3_655 no C5 H9 C7 115.4(6) 3_755 3_755 3_755 no C5 H9 C8 94.3(3) 3_755 3_755 3_755 no C5 H9 C8 120.0(11) 3_755 3_755 3_755 no C5 H9 C8 136.7(9) 3_755 3_755 3_755 no C5 H9 C8 55.2(3) 3_755 3_755 3_755 no C5 H9 C9 81.0(2) 3_755 3_755 3_755 no C5 H9 C9 151.0(13) 3_755 3_755 3_755 no C5 H9 C10 116.9(7) 3_755 3_755 3_755 no C5 H9 H2 54.6(7) 3_755 3_755 3_755 no C5 H9 H2 78.6(9) 3_755 3_755 3_755 no C5 H9 H6 127.6(13) 3_755 3_755 3_755 no C5 H9 H6 3.5(6) 3_755 3_755 3_755 no C5 H9 H7 104.4(11) 3_755 3_755 3_755 no C5 H9 H7 61.2(7) 3_755 3_755 3_755 no C5 H9 H8 57.9(11) 3_755 3_755 3_755 no C5 H9 H8 119.6(13) 3_755 3_755 3_755 no C5 H9 H8 173.3(25) 3_755 3_755 3_755 no C5 H9 H8 82.5(9) 3_755 3_755 3_755 no C7 H9 C8 21.7(2) . . . no C7 H9 C8 112.9(9) . . . no C7 H9 C8 21.7(2) . . . no C7 H9 C8 112.9(9) . . . no C7 H9 C9 35.9(6) . . . no C7 H9 C9 35.9(6) . . . no C7 H9 C10 8.9(24) . . . no C7 H9 H2 123.5(15) . . . no C7 H9 H2 123.5(15) . . . no C7 H9 H6 112.4(10) . . . no C7 H9 H6 112.4(10) . . . no C7 H9 H7 125.5(13) . . . no C7 H9 H7 125.5(13) . . . no C7 H9 H8 60.2(14) . . . no C7 H9 H8 89.3(11) . . . no C7 H9 H8 60.2(14) . . . no C7 H9 H8 89.3(11) . . . no C8 H9 C8 124.9(13) . . . no C8 H9 C8 43.3(5) . . . no C8 H9 C8 97.2(8) . . . no C8 H9 C9 14.4(4) . . . no C8 H9 C9 57.4(9) . . . no C8 H9 C10 22.9(8) . . . no C8 H9 H2 116.7(14) . . . no C8 H9 H2 127.4(17) . . . no C8 H9 H6 133.9(13) . . . no C8 H9 H6 91.2(8) . . . no C8 H9 H7 132.8(16) . . . no C8 H9 H7 112.0(11) . . . no C8 H9 H8 38.5(13) . . . no C8 H9 H8 95.9(12) . . . no C8 H9 H8 81.6(15) . . . no C8 H9 H8 80.9(10) . . . no C8 H9 C8 97.2(8) 4_455 4_455 4_455 no C8 H9 C8 74.6(10) 4_455 4_455 4_455 no C8 H9 C9 128.4(19) 4_455 4_455 4_455 no C8 H9 C9 85.1(10) 4_455 4_455 4_455 no C8 H9 C10 106.1(27) 4_455 4_455 4_455 no C8 H9 H2 118.4(11) 4_455 4_455 4_455 no C8 H9 H2 102.4(9) 4_455 4_455 4_455 no C8 H9 H6 54.0(11) 4_455 4_455 4_455 no C8 H9 H6 121.0(17) 4_455 4_455 4_455 no C8 H9 H7 15.6(5) 4_455 4_455 4_455 no C8 H9 H7 62.5(10) 4_455 4_455 4_455 no C8 H9 H8 130.4(24) 4_455 4_455 4_455 no C8 H9 H8 30.8(8) 4_455 4_455 4_455 no C8 H9 H8 66.7(16) 4_455 4_455 4_455 no C8 H9 H8 64.5(11) 4_455 4_455 4_455 no C8 H9 C8 124.9(13) 2_755 2_755 2_755 no C8 H9 C9 57.4(9) 2_755 2_755 2_755 no C8 H9 C9 14.4(4) 2_755 2_755 2_755 no C8 H9 C10 22.9(8) 2_755 2_755 2_755 no C8 H9 H2 127.4(17) 2_755 2_755 2_755 no C8 H9 H2 116.7(14) 2_755 2_755 2_755 no C8 H9 H6 91.2(8) 2_755 2_755 2_755 no C8 H9 H6 133.9(13) 2_755 2_755 2_755 no C8 H9 H7 112.0(11) 2_755 2_755 2_755 no C8 H9 H7 132.8(16) 2_755 2_755 2_755 no C8 H9 H8 81.6(15) 2_755 2_755 2_755 no C8 H9 H8 80.9(10) 2_755 2_755 2_755 no C8 H9 H8 38.5(13) 2_755 2_755 2_755 no C8 H9 H8 95.9(12) 2_755 2_755 2_755 no C8 H9 C9 85.1(10) 3_755 3_755 3_755 no C8 H9 C9 128.4(19) 3_755 3_755 3_755 no C8 H9 C10 106.1(27) 3_755 3_755 3_755 no C8 H9 H2 102.4(9) 3_755 3_755 3_755 no C8 H9 H2 118.4(11) 3_755 3_755 3_755 no C8 H9 H6 121.0(17) 3_755 3_755 3_755 no C8 H9 H6 54.0(11) 3_755 3_755 3_755 no C8 H9 H7 62.5(10) 3_755 3_755 3_755 no C8 H9 H7 15.6(5) 3_755 3_755 3_755 no C8 H9 H8 66.7(16) 3_755 3_755 3_755 no C8 H9 H8 64.5(11) 3_755 3_755 3_755 no C8 H9 H8 130.4(24) 3_755 3_755 3_755 no C8 H9 H8 30.8(8) 3_755 3_755 3_755 no C9 H9 C9 71.3(12) . . . no C9 H9 C10 35.9(7) . . . no C9 H9 H2 112.1(15) . . . no C9 H9 H2 128.8(21) . . . no C9 H9 H6 148.3(16) . . . no C9 H9 H6 77.8(6) . . . no C9 H9 H7 131.6(22) . . . no C9 H9 H7 100.5(13) . . . no C9 H9 H8 24.2(12) . . . no C9 H9 H8 97.7(17) . . . no C9 H9 H8 95.4(17) . . . no C9 H9 H8 73.8(13) . . . no C9 H9 C10 35.9(7) 2_755 2_755 2_755 no C9 H9 H2 128.8(21) 2_755 2_755 2_755 no C9 H9 H2 112.1(15) 2_755 2_755 2_755 no C9 H9 H6 77.8(6) 2_755 2_755 2_755 no C9 H9 H6 148.3(16) 2_755 2_755 2_755 no C9 H9 H7 100.5(13) 2_755 2_755 2_755 no C9 H9 H7 131.6(22) 2_755 2_755 2_755 no C9 H9 H8 95.4(17) 2_755 2_755 2_755 no C9 H9 H8 73.8(13) 2_755 2_755 2_755 no C9 H9 H8 24.2(12) 2_755 2_755 2_755 no C9 H9 H8 97.7(17) 2_755 2_755 2_755 no C10 H9 H2 132.1(37) . . . no C10 H9 H2 132.1(37) . . . no C10 H9 H6 113.7(10) . . . no C10 H9 H6 113.7(10) . . . no C10 H9 H7 117.8(32) . . . no C10 H9 H7 117.8(32) . . . no C10 H9 H8 59.6(13) . . . no C10 H9 H8 81.1(29) . . . no C10 H9 H8 59.6(13) . . . no C10 H9 H8 81.1(29) . . . no H2 H9 H2 24.9(11) 1_545 1_545 1_545 no H2 H9 H6 81.7(13) 1_545 1_545 1_545 no H2 H9 H6 57.6(12) 1_545 1_545 1_545 no H2 H9 H7 109.5(13) 1_545 1_545 1_545 no H2 H9 H7 98.9(12) 1_545 1_545 1_545 no H2 H9 H8 99.6(17) 1_545 1_545 1_545 no H2 H9 H8 146.7(15) 1_545 1_545 1_545 no H2 H9 H8 122.6(21) 1_545 1_545 1_545 no H2 H9 H8 133.1(13) 1_545 1_545 1_545 no H2 H9 H6 57.6(12) 2_745 2_745 2_745 no H2 H9 H6 81.7(13) 2_745 2_745 2_745 no H2 H9 H7 98.9(12) 2_745 2_745 2_745 no H2 H9 H7 109.4(13) 2_745 2_745 2_745 no H2 H9 H8 122.6(21) 2_745 2_745 2_745 no H2 H9 H8 133.1(13) 2_745 2_745 2_745 no H2 H9 H8 99.6(17) 2_745 2_745 2_745 no H2 H9 H8 146.7(15) 2_745 2_745 2_745 no H6 H9 H6 131.1(18) 4_455 4_455 4_455 no H6 H9 H7 61.0(13) 4_455 4_455 4_455 no H6 H9 H7 105.5(17) 4_455 4_455 4_455 no H6 H9 H8 171.9(25) 4_455 4_455 4_455 no H6 H9 H8 80.4(14) 4_455 4_455 4_455 no H6 H9 H8 54.6(13) 4_455 4_455 4_455 no H6 H9 H8 118.4(19) 4_455 4_455 4_455 no H6 H9 H7 105.5(17) 3_755 3_755 3_755 no H6 H9 H7 61.0(13) 3_755 3_755 3_755 no H6 H9 H8 54.6(13) 3_755 3_755 3_755 no H6 H9 H8 118.4(19) 3_755 3_755 3_755 no H6 H9 H8 171.9(25) 3_755 3_755 3_755 no H6 H9 H8 80.4(14) 3_755 3_755 3_755 no H7 H9 H7 48.8(14) 4_455 4_455 4_455 no H7 H9 H8 125.3(25) 4_455 4_455 4_455 no H7 H9 H8 37.3(10) 4_455 4_455 4_455 no H7 H9 H8 82.2(18) 4_455 4_455 4_455 no H7 H9 H8 59.8(13) 4_455 4_455 4_455 no H7 H9 H8 82.2(18) 3_755 3_755 3_755 no H7 H9 H8 59.8(13) 3_755 3_755 3_755 no H7 H9 H8 125.3(25) 3_755 3_755 3_755 no H7 H9 H8 37.3(10) 3_755 3_755 3_755 no H8 H9 H8 102.0(21) . . . no H8 H9 H8 119.1(26) . . . no H8 H9 H8 66.4(16) . . . no H8 H9 H8 66.4(16) 4_455 4_455 4_455 no H8 H9 H8 41.4(14) 4_455 4_455 4_455 no H8 H9 H8 102.0(21) 2_755 2_755 2_755 no #------------------------------------------------------------------------------ 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 ? ? ? ? ? ? #------------------------------------------------------------------------------ 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? # -- ENTER TORSION ANGLES HERE, ONE PER LINE -- # e.g. C1 C2 C3 C4 52.8(1) . . . . yes #------------------------------------------------------------------------------ loop_ _geom_bond_atom_site_label_D _geom_bond_atom_site_label_H _geom_contact_atom_site_label_A _geom_bond_distance_DH _geom_contact_distance_HA _geom_contact_distance_DA _geom_angle_DHA _geom_contact_site_symmetry_A ? ? ? ? ? ? ? ? #============================================================================== # Additional structures and associated data_? identifiers # should be added at this point if there is more than one # structure analysis in the CIF. #============================================================================== # End of CIF #============================================================================== data__1Me.HCL________ _database_code_CSD 171690 _audit_creation_date '2000-03-24' _audit_creation_method 'by teXsan for Windows v1.06' _audit_update_record ? _journal_coden_Cambridge 440 _publ_requested_journal 'New Journal of Chemistry' loop_ _publ_author_name 'Bagieu Beucher, M.' 'George, S.' 'Masse, R.' 'Muthuraman, M.' 'Nangia, A.' 'Nicoud, Jean-Francois' _publ_contact_author_name 'Dr A Nangia' _publ_contact_author_address ; School of Chemistry University of Hyderabad P O Central University Hyderabad 500046 INDIA ; _publ_contact_author_email 'ANSC@UOHYD.ERNET.IN' _publ_section_title ; Crystal Engineering of Neutral N-Aryl Pyrimidinones and their HCl, HNO3 Adducts With C-H...O Supramolecular Synthon. Implications Towards Non-Linear Optics ; #============================================================================== # TEXT _publ_section_abstract ; ? ; _publ_section_exptl_refinement ; All the H atoms have been located by Fourier difference and refined. ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation. (1997-1998). teXsan for Windows version 1.03. Single Crystal Structure Analysis Software. Version 1.04. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). J. Appl. Cryst., 26, 343. ; _publ_section_acknowledgements ; Financial support from the Indo-French Center for the Promotion of Advanced Research (IFCPAR contract no. 1708-1) is gratefully acknowledged. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #============================================================================== _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan for Windows 1.06 (MSC, 1997-1999)' _computing_structure_solution ; SIR92 (Altomare, et. al. 1994) ; _computing_structure_refinement 'teXsan for Windows 1.06 (MSC, 1997-1999)' _computing_publication_material 'teXsan for Windows 1.06 (MSC, 1997-1999)' #------------------------------------------------------------------------------ _cell_length_a 7.3047(7) _cell_length_b 6.7669(6) _cell_length_c 13.444(2) _cell_angle_alpha 90 _cell_angle_beta 105.59(1) _cell_angle_gamma 90 _cell_volume 640.1(1) _cell_formula_units_Z 2 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 10 _cell_measurement_theta_max 14 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/m ' _symmetry_Int_Tables_number 11 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x,1/2+y, -z' ' -x, -y, -z' ' +x,1/2-y, +z' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description 'NONE' _exptl_crystal_colour 'colourless' _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.16 _exptl_crystal_density_diffrn 1.301 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 250.73 _chemical_formula_analytical ? _chemical_formula_sum 'C13 H15 Cl N2 O' _chemical_formula_moiety 'C13 H15 Cl N2 O' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 264.00 _exptl_absorpt_coefficient_mu 0.284 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; #============================================================================== # EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device 'CAD4' _diffrn_measurement_method \w-2\q _diffrn_standards_number 2 _diffrn_standards_interval_count '7200 s' _diffrn_standards_decay_% 0.74 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l -2 1 7 2 -1 -7 _diffrn_reflns_number 4953 _reflns_number_total 2569 _reflns_number_gt 1448 _reflns_threshold_expression I>3.00\s(I) _diffrn_reflns_av_R_equivalents 0.02170 _diffrn_reflns_av_sigmaI/netI 0.042 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 3.0 _diffrn_reflns_theta_max 33.0 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 -0.07040 _diffrn_orient_matrix_UB_12 -0.02169 _diffrn_orient_matrix_UB_13 -0.07397 _diffrn_orient_matrix_UB_21 -0.11607 _diffrn_orient_matrix_UB_22 -0.03802 _diffrn_orient_matrix_UB_23 0.02147 _diffrn_orient_matrix_UB_31 -0.04208 _diffrn_orient_matrix_UB_32 0.14115 _diffrn_orient_matrix_UB_33 -0.00557 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 26 0.002 0.002 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; H 0 30 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; Cl 0 2 0.132 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; N 0 4 0.004 0.003 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; O 0 2 0.008 0.006 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #============================================================================== # ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom Cl(1) 0.77531(5) 0.7500 0.64603(2) 0.05095(9) 1.0 ST Uani d ? O(1) 0.42964(12) 0.2500 0.64412(7) 0.0724(3) 1.0 ST Uani d ? N(1) 0.75331(13) 0.2500 0.69817(7) 0.0393(3) 1.0 ST Uani d ? N(2) 0.5944(2) 0.2500 0.52352(8) 0.0449(3) 1.0 ST Uani d ? C(1) 0.5805(2) 0.2500 0.62292(9) 0.0475(4) 1.0 ST Uani d ? C(2) 0.7582(2) 0.2500 0.49675(9) 0.0419(3) 1.0 ST Uani d ? C(3) 0.9254(2) 0.2500 0.57297(9) 0.0423(3) 1.0 ST Uani d ? C(4) 0.9226(2) 0.2500 0.67453(9) 0.0408(3) 1.0 ST Uani d ? C(5) 1.0978(2) 0.2500 0.76075(12) 0.0643(5) 1.0 ST Uani d ? C(6) 0.7448(3) 0.2500 0.38428(11) 0.0596(5) 1.0 ST Uani d ? C(7) 0.7430(2) 0.2500 0.80490(8) 0.0422(3) 1.0 ST Uani d ? C(8) 0.7375(2) 0.0740(2) 0.85376(7) 0.0588(3) 1.000 . Uani d ? C(9) 0.7294(2) 0.0767(2) 0.95601(8) 0.0644(3) 1.000 . Uani d ? C(10) 0.7252(2) 0.2500 1.00777(9) 0.0538(4) 1.0 ST Uani d ? C(11) 0.7190(3) 0.2500 1.11957(12) 0.0725(6) 1.0 ST Uani d ? H(1) 1.043(2) 0.2500 0.5597(9) 0.046(3) 1.0 S Uiso d ? H(2) 1.195(2) 0.2500 0.7383(11) 0.067(5) 1.0 S Uiso d ? H(3) 1.097(2) 0.142(2) 0.8036(10) 0.111(5) 1.000 . Uiso d ? H(4) 0.859(3) 0.2500 0.3750(12) 0.074(5) 1.0 S Uiso d ? H(5) 0.659(2) 0.151(2) 0.3492(10) 0.118(5) 1.000 . Uiso d ? H(6) 0.744(1) -0.050(2) 0.8190(8) 0.078(3) 1.000 . Uiso d ? H(7) 0.727(2) -0.047(2) 0.9901(8) 0.088(4) 1.000 . Uiso d ? H(8) 0.658(2) 0.135(2) 1.1354(10) 0.110(5) 1.000 . Uiso d ? H(9) 0.852(3) 0.2500 1.1642(13) 0.082(5) 1.0 S Uiso d ? H(10) 0.484(2) 0.2500 0.4761(12) 0.063(4) 1.0 S Uiso d ? 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 Cl(1) 0.0492(2) 0.0546(2) 0.0495(2) 0.0000 0.01400(13) 0.0000 O(1) 0.0420(5) 0.1331(10) 0.0500(5) 0.0000 0.0259(4) 0.0000 N(1) 0.0413(5) 0.0462(6) 0.0357(5) 0.0000 0.0193(4) 0.0000 N(2) 0.0399(6) 0.0619(7) 0.0368(5) 0.0000 0.0167(4) 0.0000 C(1) 0.0443(7) 0.0624(9) 0.0412(6) 0.0000 0.0209(5) 0.0000 C(2) 0.0478(6) 0.0433(7) 0.0417(6) 0.0000 0.0246(5) 0.0000 C(3) 0.0401(6) 0.0479(7) 0.0458(6) 0.0000 0.0237(5) 0.0000 C(4) 0.0413(6) 0.0405(7) 0.0451(6) 0.0000 0.0194(5) 0.0000 C(5) 0.0430(8) 0.103(2) 0.0494(8) 0.0000 0.0164(6) 0.0000 C(6) 0.0566(9) 0.0896(12) 0.0401(7) 0.0000 0.0260(7) 0.0000 C(7) 0.0451(6) 0.0511(8) 0.0354(6) 0.0000 0.0194(5) 0.0000 C(8) 0.0868(7) 0.0504(6) 0.0476(5) -0.0033(6) 0.0323(5) -0.0017(5) C(9) 0.0955(8) 0.0577(7) 0.0472(5) -0.0032(6) 0.0319(5) 0.0077(5) C(10) 0.0586(8) 0.0702(10) 0.0366(6) 0.0000 0.0195(6) 0.0000 C(11) 0.0905(13) 0.092(1) 0.0402(7) 0.0000 0.0263(8) 0.0000 #============================================================================== # REFINEMENT DATA _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00006|Fo|^2^]' _refine_ls_hydrogen_treatment refall _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 1448 _refine_ls_number_parameters 132 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0365 _refine_ls_R_factor_gt 0.0370 _refine_ls_wR_factor_all 0.0430 _refine_ls_wR_factor_ref 0.0430 _refine_ls_goodness_of_fit_all 3.015 _refine_ls_goodness_of_fit_ref 3.020 _refine_ls_shift/su_max 0.0300 _refine_ls_shift/su_mean 0.0030 _refine_diff_density_min -0.23 _refine_diff_density_max 0.27 #============================================================================== # MOLECULAR GEOMETRY _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 CL1 O1 3.784(2) . . ? CL1 N1 3.4678(4) . . ? CL1 N1 3.4678(4) . . ? CL1 N2 3.8390(10) . . ? CL1 N2 3.8390(10) . . ? CL1 N2 3.030(2) . . ? CL1 C1 3.6513(8) . . ? CL1 C1 3.6513(8) . . ? CL1 C1 3.844(2) . . ? CL1 C2 3.9186(10) . . ? CL1 C2 3.9186(10) . . ? CL1 C2 3.854(2) . . ? CL1 C3 3.7677(9) . . ? CL1 C3 3.7677(9) . . ? CL1 C4 3.5398(7) . . ? CL1 C4 3.5398(7) . . ? CL1 C6 3.711(3) . . ? CL1 C6 3.636(3) . . ? CL1 C8 3.619(2) . . ? CL1 C8 3.619(2) . . ? CL1 H1 3.38(2) . . no CL1 H3 3.79(2) . . no CL1 H3 3.79(2) . . no CL1 H4 2.76(3) . . no CL1 H5 3.25(2) . . no CL1 H5 3.25(2) . . no CL1 H6 2.75(2) . . no CL1 H6 2.75(2) . . no CL1 H9 3.19(3) . . no CL1 H10 2.15(3) . . no O1 C1 1.210(2) . . ? N1 N2 2.323(2) . . ? N1 C1 1.390(3) . . ? N1 C4 1.357(2) . . ? N1 C7 1.457(2) . . ? N2 C1 1.367(3) . . ? N2 C1 3.950(2) . . ? N2 C1 3.950(2) . . ? N2 C2 1.339(2) . . ? N2 H10 0.88(3) . . no C1 H10 1.90(3) . . no C2 C3 1.367(3) . . ? C2 C6 1.489(3) . . ? C2 H4 1.97(3) . . no C2 H10 1.94(3) . . no C3 C4 1.371(3) . . ? C3 H1 0.92(2) . . no C3 H2 2.54(3) . . no C4 C5 1.478(3) . . ? C4 H1 1.97(2) . . no C4 H2 1.94(3) . . no C4 H3 1.99(2) . . no C4 H3 1.99(2) . . no C5 H2 0.84(3) . . no C5 H3 0.93(2) . . no C5 H3 0.93(2) . . no C6 H4 0.88(3) . . no C6 H5 0.95(3) . . no C6 H5 0.95(3) . . no C7 C8 1.366(2) . . ? C7 C8 1.366(2) . . ? C8 C9 1.393(2) . . ? C9 C10 1.368(2) . . ? C9 H7 0.96(2) . . no C10 C11 1.516(3) . . ? C11 H8 0.94(3) . . no C11 H8 0.94(3) . . no C11 H9 0.99(3) . . 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 O1 CL1 N1 100.45(3) 2_656 2_656 2_656 ? O1 CL1 N1 100.45(3) 2_656 2_656 2_656 ? O1 CL1 N2 64.06(3) 2_656 2_656 2_656 ? O1 CL1 N2 64.06(3) 2_656 2_656 2_656 ? O1 CL1 N2 36.75(4) 2_656 2_656 2_656 ? O1 CL1 C1 82.82(4) 2_656 2_656 2_656 ? O1 CL1 C1 82.82(4) 2_656 2_656 2_656 ? O1 CL1 C1 18.23(3) 2_656 2_656 2_656 ? O1 CL1 C2 61.49(3) 2_656 2_656 2_656 ? O1 CL1 C2 61.49(3) 2_656 2_656 2_656 ? O1 CL1 C2 54.51(4) 2_656 2_656 2_656 ? O1 CL1 C3 78.08(3) 2_656 2_656 2_656 ? O1 CL1 C3 78.08(3) 2_656 2_656 2_656 ? O1 CL1 C4 97.82(3) 2_656 2_656 2_656 ? O1 CL1 C4 97.82(3) 2_656 2_656 2_656 ? O1 CL1 C6 77.12(4) 2_656 2_656 2_656 ? O1 CL1 C6 90.61(5) 2_656 2_656 2_656 ? O1 CL1 C8 134.78(3) 2_656 2_656 2_656 ? O1 CL1 C8 134.78(3) 2_656 2_656 2_656 ? O1 CL1 H1 44.7(4) 2_656 2_656 2_656 no O1 CL1 H3 126.1(4) 2_656 2_656 2_656 no O1 CL1 H3 126.1(4) 2_656 2_656 2_656 no O1 CL1 H4 91.1(6) 2_656 2_656 2_656 no O1 CL1 H5 84.5(4) 2_656 2_656 2_656 no O1 CL1 H5 84.5(4) 2_656 2_656 2_656 no O1 CL1 H6 140.5(4) 2_656 2_656 2_656 no O1 CL1 H6 140.5(4) 2_656 2_656 2_656 no O1 CL1 H9 147.2(5) 2_656 2_656 2_656 no O1 CL1 H10 35.7(7) 2_656 2_656 2_656 no N1 CL1 N1 154.68(5) . . . ? N1 CL1 N2 36.63(4) . . . ? N1 CL1 N2 156.54(4) . . . ? N1 CL1 N2 94.11(3) . . . ? N1 CL1 C1 22.32(4) . . . ? N1 CL1 C1 152.02(4) . . . ? N1 CL1 C1 97.69(3) . . . ? N1 CL1 C2 42.63(3) . . . ? N1 CL1 C2 161.64(4) . . . ? N1 CL1 C2 90.29(3) . . . ? N1 CL1 C3 37.73(3) . . . ? N1 CL1 C3 164.04(4) . . . ? N1 CL1 C4 22.30(4) . . . ? N1 CL1 C4 160.04(5) . . . ? N1 CL1 C6 85.44(3) . . . ? N1 CL1 C6 96.96(3) . . . ? N1 CL1 C8 40.15(4) . . . ? N1 CL1 C8 114.69(4) . . . ? N1 CL1 H1 102.44(3) . . . no N1 CL1 H3 42.2(4) . . . no N1 CL1 H3 128.8(4) . . . no N1 CL1 H4 96.86(11) . . . no N1 CL1 H5 72.4(5) . . . no N1 CL1 H5 95.6(5) . . . no N1 CL1 H6 48.1(4) . . . no N1 CL1 H6 106.7(4) . . . no N1 CL1 H9 85.08(11) . . . no N1 CL1 H10 94.3(2) . . . no N1 CL1 N2 156.54(4) 1_565 1_565 1_565 ? N1 CL1 N2 36.63(4) 1_565 1_565 1_565 ? N1 CL1 N2 94.11(3) 1_565 1_565 1_565 ? N1 CL1 C1 152.02(4) 1_565 1_565 1_565 ? N1 CL1 C1 22.32(4) 1_565 1_565 1_565 ? N1 CL1 C1 97.69(3) 1_565 1_565 1_565 ? N1 CL1 C2 161.64(4) 1_565 1_565 1_565 ? N1 CL1 C2 42.63(3) 1_565 1_565 1_565 ? N1 CL1 C2 90.29(3) 1_565 1_565 1_565 ? N1 CL1 C3 164.04(4) 1_565 1_565 1_565 ? N1 CL1 C3 37.73(3) 1_565 1_565 1_565 ? N1 CL1 C4 160.04(5) 1_565 1_565 1_565 ? N1 CL1 C4 22.30(4) 1_565 1_565 1_565 ? N1 CL1 C6 85.44(3) 1_565 1_565 1_565 ? N1 CL1 C6 96.96(3) 1_565 1_565 1_565 ? N1 CL1 C8 114.69(4) 1_565 1_565 1_565 ? N1 CL1 C8 40.15(4) 1_565 1_565 1_565 ? N1 CL1 H1 102.44(3) 1_565 1_565 1_565 no N1 CL1 H3 128.8(4) 1_565 1_565 1_565 no N1 CL1 H3 42.2(4) 1_565 1_565 1_565 no N1 CL1 H4 96.86(11) 1_565 1_565 1_565 no N1 CL1 H5 95.6(5) 1_565 1_565 1_565 no N1 CL1 H5 72.4(5) 1_565 1_565 1_565 no N1 CL1 H6 106.7(4) 1_565 1_565 1_565 no N1 CL1 H6 48.1(4) 1_565 1_565 1_565 no N1 CL1 H9 85.08(11) 1_565 1_565 1_565 no N1 CL1 H10 94.3(2) 1_565 1_565 1_565 no N2 CL1 N2 123.61(5) . . . ? N2 CL1 N2 62.79(3) . . . ? N2 CL1 C1 20.84(4) . . . ? N2 CL1 C1 134.33(5) . . . ? N2 CL1 C1 61.88(3) . . . ? N2 CL1 C2 19.84(4) . . . ? N2 CL1 C2 125.54(4) . . . ? N2 CL1 C2 66.47(3) . . . ? N2 CL1 C3 35.66(4) . . . ? N2 CL1 C3 140.39(4) . . . ? N2 CL1 C4 42.58(4) . . . ? N2 CL1 C4 161.52(4) . . . ? N2 CL1 C6 74.25(3) . . . ? N2 CL1 C6 100.55(3) . . . ? N2 CL1 C8 73.04(4) . . . ? N2 CL1 C8 140.91(4) . . . ? N2 CL1 H1 79.3(2) . . . no N2 CL1 H3 73.3(4) . . . no N2 CL1 H3 161.3(4) . . . no N2 CL1 H4 100.8(3) . . . no N2 CL1 H5 66.6(5) . . . no N2 CL1 H5 88.0(5) . . . no N2 CL1 H6 80.4(4) . . . no N2 CL1 H6 134.1(4) . . . no N2 CL1 H9 117.67(6) . . . no N2 CL1 H10 62.65(9) . . . no N2 CL1 N2 62.79(3) 1_565 1_565 1_565 ? N2 CL1 C1 134.33(5) 1_565 1_565 1_565 ? N2 CL1 C1 20.84(4) 1_565 1_565 1_565 ? N2 CL1 C1 61.88(3) 1_565 1_565 1_565 ? N2 CL1 C2 125.54(4) 1_565 1_565 1_565 ? N2 CL1 C2 19.84(4) 1_565 1_565 1_565 ? N2 CL1 C2 66.47(3) 1_565 1_565 1_565 ? N2 CL1 C3 140.39(4) 1_565 1_565 1_565 ? N2 CL1 C3 35.66(4) 1_565 1_565 1_565 ? N2 CL1 C4 161.52(4) 1_565 1_565 1_565 ? N2 CL1 C4 42.58(4) 1_565 1_565 1_565 ? N2 CL1 C6 74.25(3) 1_565 1_565 1_565 ? N2 CL1 C6 100.55(3) 1_565 1_565 1_565 ? N2 CL1 C8 140.91(4) 1_565 1_565 1_565 ? N2 CL1 C8 73.04(4) 1_565 1_565 1_565 ? N2 CL1 H1 79.3(2) 1_565 1_565 1_565 no N2 CL1 H3 161.3(4) 1_565 1_565 1_565 no N2 CL1 H3 73.3(4) 1_565 1_565 1_565 no N2 CL1 H4 100.8(3) 1_565 1_565 1_565 no N2 CL1 H5 88.0(5) 1_565 1_565 1_565 no N2 CL1 H5 66.6(5) 1_565 1_565 1_565 no N2 CL1 H6 134.1(4) 1_565 1_565 1_565 no N2 CL1 H6 80.4(4) 1_565 1_565 1_565 no N2 CL1 H9 117.67(6) 1_565 1_565 1_565 no N2 CL1 H10 62.65(9) 1_565 1_565 1_565 no N2 CL1 C1 71.81(3) 2_656 2_656 2_656 ? N2 CL1 C1 71.81(3) 2_656 2_656 2_656 ? N2 CL1 C1 18.52(4) 2_656 2_656 2_656 ? N2 CL1 C2 73.46(3) 2_656 2_656 2_656 ? N2 CL1 C2 73.46(3) 2_656 2_656 2_656 ? N2 CL1 C2 17.77(4) 2_656 2_656 2_656 ? N2 CL1 C3 93.84(4) 2_656 2_656 2_656 ? N2 CL1 C3 93.84(4) 2_656 2_656 2_656 ? N2 CL1 C4 105.36(3) 2_656 2_656 2_656 ? N2 CL1 C4 105.36(3) 2_656 2_656 2_656 ? N2 CL1 C6 40.37(5) 2_656 2_656 2_656 ? N2 CL1 C6 127.36(5) 2_656 2_656 2_656 ? N2 CL1 C8 110.07(4) 2_656 2_656 2_656 ? N2 CL1 C8 110.07(4) 2_656 2_656 2_656 ? N2 CL1 H1 81.4(4) 2_656 2_656 2_656 no N2 CL1 H3 135.5(4) 2_656 2_656 2_656 no N2 CL1 H3 135.5(4) 2_656 2_656 2_656 no N2 CL1 H4 127.9(6) 2_656 2_656 2_656 no N2 CL1 H5 48.7(4) 2_656 2_656 2_656 no N2 CL1 H5 48.7(4) 2_656 2_656 2_656 no N2 CL1 H6 112.0(4) 2_656 2_656 2_656 no N2 CL1 H6 112.0(4) 2_656 2_656 2_656 no N2 CL1 H9 176.1(5) 2_656 2_656 2_656 no N2 CL1 H10 1.1(7) 2_656 2_656 2_656 no C1 CL1 C1 135.83(6) . . . ? C1 CL1 C1 76.73(4) . . . ? C1 CL1 C2 36.70(4) . . . ? C1 CL1 C2 142.98(5) . . . ? C1 CL1 C2 68.82(3) . . . ? C1 CL1 C3 43.93(4) . . . ? C1 CL1 C3 160.75(5) . . . ? C1 CL1 C4 39.08(4) . . . ? C1 CL1 C4 174.32(4) . . . ? C1 CL1 C6 68.07(3) . . . ? C1 CL1 C6 110.85(3) . . . ? C1 CL1 C8 52.81(4) . . . ? C1 CL1 C8 121.21(4) . . . ? C1 CL1 H1 99.23(13) . . . no C1 CL1 H3 64.3(4) . . . no C1 CL1 H3 149.9(4) . . . no C1 CL1 H4 110.91(8) . . . no C1 CL1 H5 56.8(5) . . . no C1 CL1 H5 80.4(5) . . . no C1 CL1 H6 59.9(4) . . . no C1 CL1 H6 114.0(4) . . . no C1 CL1 H9 107.28(13) . . . no C1 CL1 H10 72.0(2) . . . no C1 CL1 C1 76.73(4) 1_565 1_565 1_565 ? C1 CL1 C2 142.98(5) 1_565 1_565 1_565 ? C1 CL1 C2 36.70(4) 1_565 1_565 1_565 ? C1 CL1 C2 68.82(3) 1_565 1_565 1_565 ? C1 CL1 C3 160.75(5) 1_565 1_565 1_565 ? C1 CL1 C3 43.93(4) 1_565 1_565 1_565 ? C1 CL1 C4 174.32(4) 1_565 1_565 1_565 ? C1 CL1 C4 39.08(4) 1_565 1_565 1_565 ? C1 CL1 C6 68.07(3) 1_565 1_565 1_565 ? C1 CL1 C6 110.85(3) 1_565 1_565 1_565 ? C1 CL1 C8 121.21(4) 1_565 1_565 1_565 ? C1 CL1 C8 52.81(4) 1_565 1_565 1_565 ? C1 CL1 H1 99.23(13) 1_565 1_565 1_565 no C1 CL1 H3 149.9(4) 1_565 1_565 1_565 no C1 CL1 H3 64.3(4) 1_565 1_565 1_565 no C1 CL1 H4 110.91(8) 1_565 1_565 1_565 no C1 CL1 H5 80.4(5) 1_565 1_565 1_565 no C1 CL1 H5 56.8(5) 1_565 1_565 1_565 no C1 CL1 H6 114.0(4) 1_565 1_565 1_565 no C1 CL1 H6 59.9(4) 1_565 1_565 1_565 no C1 CL1 H9 107.28(13) 1_565 1_565 1_565 no C1 CL1 H10 72.0(2) 1_565 1_565 1_565 no C1 CL1 C2 66.29(3) 2_656 2_656 2_656 ? C1 CL1 C2 66.29(3) 2_656 2_656 2_656 ? C1 CL1 C2 36.28(4) 2_656 2_656 2_656 ? C1 CL1 C3 85.72(4) 2_656 2_656 2_656 ? C1 CL1 C3 85.72(4) 2_656 2_656 2_656 ? C1 CL1 C4 102.17(3) 2_656 2_656 2_656 ? C1 CL1 C4 102.17(3) 2_656 2_656 2_656 ? C1 CL1 C6 58.89(5) 2_656 2_656 2_656 ? C1 CL1 C6 108.85(5) 2_656 2_656 2_656 ? C1 CL1 C8 123.60(4) 2_656 2_656 2_656 ? C1 CL1 C8 123.60(4) 2_656 2_656 2_656 ? C1 CL1 H1 62.9(4) 2_656 2_656 2_656 no C1 CL1 H3 133.3(4) 2_656 2_656 2_656 no C1 CL1 H3 133.3(4) 2_656 2_656 2_656 no C1 CL1 H4 109.3(6) 2_656 2_656 2_656 no C1 CL1 H5 66.7(4) 2_656 2_656 2_656 no C1 CL1 H5 66.7(4) 2_656 2_656 2_656 no C1 CL1 H6 127.3(4) 2_656 2_656 2_656 no C1 CL1 H6 127.3(4) 2_656 2_656 2_656 no C1 CL1 H9 165.4(5) 2_656 2_656 2_656 no C1 CL1 H10 17.4(7) 2_656 2_656 2_656 no C2 CL1 C2 119.41(5) . . . ? C2 CL1 C2 81.72(3) . . . ? C2 CL1 C3 20.37(4) . . . ? C2 CL1 C3 127.83(4) . . . ? C2 CL1 C4 36.59(4) . . . ? C2 CL1 C4 147.96(4) . . . ? C2 CL1 C6 93.03(4) . . . ? C2 CL1 C6 80.89(4) . . . ? C2 CL1 C8 82.74(4) . . . ? C2 CL1 C8 156.88(4) . . . ? C2 CL1 H1 62.98(9) . . . no C2 CL1 H3 67.1(4) . . . no C2 CL1 H3 145.1(4) . . . no C2 CL1 H4 81.1(3) . . . no C2 CL1 H5 86.3(5) . . . no C2 CL1 H5 106.9(4) . . . no C2 CL1 H6 90.7(4) . . . no C2 CL1 H6 149.0(4) . . . no C2 CL1 H9 108.2(2) . . . no C2 CL1 H10 73.0(3) . . . no C2 CL1 C2 81.72(3) 1_565 1_565 1_565 ? C2 CL1 C3 127.83(4) 1_565 1_565 1_565 ? C2 CL1 C3 20.37(4) 1_565 1_565 1_565 ? C2 CL1 C4 147.96(4) 1_565 1_565 1_565 ? C2 CL1 C4 36.59(4) 1_565 1_565 1_565 ? C2 CL1 C6 93.03(4) 1_565 1_565 1_565 ? C2 CL1 C6 80.89(4) 1_565 1_565 1_565 ? C2 CL1 C8 156.88(4) 1_565 1_565 1_565 ? C2 CL1 C8 82.74(4) 1_565 1_565 1_565 ? C2 CL1 H1 62.98(9) 1_565 1_565 1_565 no C2 CL1 H3 145.1(4) 1_565 1_565 1_565 no C2 CL1 H3 67.1(4) 1_565 1_565 1_565 no C2 CL1 H4 81.1(3) 1_565 1_565 1_565 no C2 CL1 H5 106.9(4) 1_565 1_565 1_565 no C2 CL1 H5 86.3(5) 1_565 1_565 1_565 no C2 CL1 H6 149.0(4) 1_565 1_565 1_565 no C2 CL1 H6 90.7(4) 1_565 1_565 1_565 no C2 CL1 H9 108.2(2) 1_565 1_565 1_565 no C2 CL1 H10 73.0(3) 1_565 1_565 1_565 no C2 CL1 C3 101.33(4) 2_656 2_656 2_656 ? C2 CL1 C3 101.33(4) 2_656 2_656 2_656 ? C2 CL1 C4 106.93(3) 2_656 2_656 2_656 ? C2 CL1 C4 106.93(3) 2_656 2_656 2_656 ? C2 CL1 C6 22.60(4) 2_656 2_656 2_656 ? C2 CL1 C6 145.13(5) 2_656 2_656 2_656 ? C2 CL1 C8 96.19(4) 2_656 2_656 2_656 ? C2 CL1 C8 96.19(4) 2_656 2_656 2_656 ? C2 CL1 H1 99.2(4) 2_656 2_656 2_656 no C2 CL1 H3 132.0(4) 2_656 2_656 2_656 no C2 CL1 H3 132.0(4) 2_656 2_656 2_656 no C2 CL1 H4 145.6(6) 2_656 2_656 2_656 no C2 CL1 H5 31.9(4) 2_656 2_656 2_656 no C2 CL1 H5 31.9(4) 2_656 2_656 2_656 no C2 CL1 H6 96.7(4) 2_656 2_656 2_656 no C2 CL1 H6 96.7(4) 2_656 2_656 2_656 no C2 CL1 H9 158.3(5) 2_656 2_656 2_656 no C2 CL1 H10 18.9(7) 2_656 2_656 2_656 no C3 CL1 C3 127.80(5) . . . ? C3 CL1 C4 21.34(4) . . . ? C3 CL1 C4 141.75(4) . . . ? C3 CL1 C6 109.43(3) . . . ? C3 CL1 C6 67.28(3) . . . ? C3 CL1 C8 75.24(4) . . . ? C3 CL1 C8 146.43(5) . . . ? C3 CL1 H1 65.17(6) . . . no C3 CL1 H3 48.4(4) . . . no C3 CL1 H3 126.5(4) . . . no C3 CL1 H4 67.4(1) . . . no C3 CL1 H5 100.0(5) . . . no C3 CL1 H5 122.9(5) . . . no C3 CL1 H6 83.0(4) . . . no C3 CL1 H6 139.2(4) . . . no C3 CL1 H9 87.9(2) . . . no C3 CL1 H10 93.4(3) . . . no C3 CL1 C4 141.75(4) 1_565 1_565 1_565 ? C3 CL1 C4 21.34(4) 1_565 1_565 1_565 ? C3 CL1 C6 109.43(3) 1_565 1_565 1_565 ? C3 CL1 C6 67.28(3) 1_565 1_565 1_565 ? C3 CL1 C8 146.43(5) 1_565 1_565 1_565 ? C3 CL1 C8 75.24(4) 1_565 1_565 1_565 ? C3 CL1 H1 65.17(6) 1_565 1_565 1_565 no C3 CL1 H3 126.5(4) 1_565 1_565 1_565 no C3 CL1 H3 48.4(4) 1_565 1_565 1_565 no C3 CL1 H4 67.4(1) 1_565 1_565 1_565 no C3 CL1 H5 122.9(5) 1_565 1_565 1_565 no C3 CL1 H5 100.0(5) 1_565 1_565 1_565 no C3 CL1 H6 139.2(4) 1_565 1_565 1_565 no C3 CL1 H6 83.0(4) 1_565 1_565 1_565 no C3 CL1 H9 87.9(2) 1_565 1_565 1_565 no C3 CL1 H10 93.4(3) 1_565 1_565 1_565 no C4 CL1 C4 145.81(6) . . . ? C4 CL1 C6 106.52(3) . . . ? C4 CL1 C6 74.81(3) . . . ? C4 CL1 C8 54.65(4) . . . ? C4 CL1 C8 125.41(5) . . . ? C4 CL1 H1 85.05(11) . . . no C4 CL1 H3 31.3(4) . . . no C4 CL1 H3 119.0(4) . . . no C4 CL1 H4 74.74(8) . . . no C4 CL1 H5 94.0(5) . . . no C4 CL1 H5 117.6(5) . . . no C4 CL1 H6 62.2(4) . . . no C4 CL1 H6 118.0(4) . . . no C4 CL1 H9 75.19(8) . . . no C4 CL1 H10 105.22(10) . . . no C4 CL1 C6 106.52(3) 1_565 1_565 1_565 ? C4 CL1 C6 74.81(3) 1_565 1_565 1_565 ? C4 CL1 C8 125.41(5) 1_565 1_565 1_565 ? C4 CL1 C8 54.65(4) 1_565 1_565 1_565 ? C4 CL1 H1 85.05(11) 1_565 1_565 1_565 no C4 CL1 H3 119.0(4) 1_565 1_565 1_565 no C4 CL1 H3 31.3(4) 1_565 1_565 1_565 no C4 CL1 H4 74.74(8) 1_565 1_565 1_565 no C4 CL1 H5 117.6(5) 1_565 1_565 1_565 no C4 CL1 H5 94.0(5) 1_565 1_565 1_565 no C4 CL1 H6 118.0(4) 1_565 1_565 1_565 no C4 CL1 H6 62.2(4) 1_565 1_565 1_565 no C4 CL1 H9 75.19(8) 1_565 1_565 1_565 no C4 CL1 H10 105.22(10) 1_565 1_565 1_565 no C6 CL1 C6 167.73(8) 2_656 2_656 2_656 ? C6 CL1 C8 78.26(4) 2_656 2_656 2_656 ? C6 CL1 C8 78.26(4) 2_656 2_656 2_656 ? C6 CL1 H1 121.8(4) 2_656 2_656 2_656 no C6 CL1 H3 121.6(4) 2_656 2_656 2_656 no C6 CL1 H3 121.6(4) 2_656 2_656 2_656 no C6 CL1 H4 168.2(6) 2_656 2_656 2_656 no C6 CL1 H5 13.9(4) 2_656 2_656 2_656 no C6 CL1 H5 13.9(4) 2_656 2_656 2_656 no C6 CL1 H6 77.0(4) 2_656 2_656 2_656 no C6 CL1 H6 77.0(4) 2_656 2_656 2_656 no C6 CL1 H9 135.7(5) 2_656 2_656 2_656 no C6 CL1 H10 41.5(7) 2_656 2_656 2_656 no C6 CL1 C8 111.24(5) 2_756 2_756 2_756 ? C6 CL1 C8 111.24(5) 2_756 2_756 2_756 ? C6 CL1 H1 45.9(4) 2_756 2_756 2_756 no C6 CL1 H3 65.9(4) 2_756 2_756 2_756 no C6 CL1 H3 65.9(4) 2_756 2_756 2_756 no C6 CL1 H4 0.5(6) 2_756 2_756 2_756 no C6 CL1 H5 167.1(5) 2_756 2_756 2_756 no C6 CL1 H5 167.1(5) 2_756 2_756 2_756 no C6 CL1 H6 113.5(4) 2_756 2_756 2_756 no C6 CL1 H6 113.5(4) 2_756 2_756 2_756 no C6 CL1 H9 56.6(5) 2_756 2_756 2_756 no C6 CL1 H10 126.3(7) 2_756 2_756 2_756 no C8 CL1 C8 74.57(6) 4 4 4 ? C8 CL1 H1 139.6(1) 4 4 4 no C8 CL1 H3 46.3(4) 4 4 4 no C8 CL1 H3 99.1(4) 4 4 4 no C8 CL1 H4 110.9(4) 4 4 4 no C8 CL1 H5 65.4(4) 4 4 4 no C8 CL1 H5 80.3(4) 4 4 4 no C8 CL1 H6 8.0(4) 4 4 4 no C8 CL1 H6 66.6(4) 4 4 4 no C8 CL1 H9 66.9(4) 4 4 4 no C8 CL1 H10 110.9(5) 4 4 4 no C8 CL1 H1 139.6(1) 1_565 1_565 1_565 no C8 CL1 H3 99.1(4) 1_565 1_565 1_565 no C8 CL1 H3 46.3(4) 1_565 1_565 1_565 no C8 CL1 H4 110.9(4) 1_565 1_565 1_565 no C8 CL1 H5 80.3(4) 1_565 1_565 1_565 no C8 CL1 H5 65.4(4) 1_565 1_565 1_565 no C8 CL1 H6 66.6(4) 1_565 1_565 1_565 no C8 CL1 H6 8.0(4) 1_565 1_565 1_565 no C8 CL1 H9 66.9(4) 1_565 1_565 1_565 no C8 CL1 H10 110.9(5) 1_565 1_565 1_565 no H1 CL1 H3 97.9(4) 2_756 2_756 2_756 no H1 CL1 H3 97.9(4) 2_756 2_756 2_756 no H1 CL1 H4 46.5(7) 2_756 2_756 2_756 no H1 CL1 H5 128.0(5) 2_756 2_756 2_756 no H1 CL1 H5 128.0(5) 2_756 2_756 2_756 no H1 CL1 H6 146.5(5) 2_756 2_756 2_756 no H1 CL1 H6 146.5(5) 2_756 2_756 2_756 no H1 CL1 H9 102.5(6) 2_756 2_756 2_756 no H1 CL1 H10 80.3(8) 2_756 2_756 2_756 no H3 CL1 H3 88.9(7) 4 4 4 no H3 CL1 H4 65.6(5) 4 4 4 no H3 CL1 H5 107.7(6) 4 4 4 no H3 CL1 H5 126.3(6) 4 4 4 no H3 CL1 H6 50.6(5) 4 4 4 no H3 CL1 H6 92.9(6) 4 4 4 no H3 CL1 H9 44.5(4) 4 4 4 no H3 CL1 H10 135.5(4) 4 4 4 no H3 CL1 H4 65.6(5) 1_565 1_565 1_565 no H3 CL1 H5 126.3(6) 1_565 1_565 1_565 no H3 CL1 H5 107.7(6) 1_565 1_565 1_565 no H3 CL1 H6 92.9(6) 1_565 1_565 1_565 no H3 CL1 H6 50.6(5) 1_565 1_565 1_565 no H3 CL1 H9 44.5(4) 1_565 1_565 1_565 no H3 CL1 H10 135.5(4) 1_565 1_565 1_565 no H4 CL1 H5 167.3(5) 2_756 2_756 2_756 no H4 CL1 H5 167.3(5) 2_756 2_756 2_756 no H4 CL1 H6 113.0(6) 2_756 2_756 2_756 no H4 CL1 H6 113.0(6) 2_756 2_756 2_756 no H4 CL1 H9 56.1(8) 2_756 2_756 2_756 no H4 CL1 H10 126.8(9) 2_756 2_756 2_756 no H5 CL1 H5 23.7(9) 2_656 2_656 2_656 no H5 CL1 H6 65.0(5) 2_656 2_656 2_656 no H5 CL1 H6 77.2(6) 2_656 2_656 2_656 no H5 CL1 H9 127.5(6) 2_656 2_656 2_656 no H5 CL1 H10 49.8(8) 2_656 2_656 2_656 no H5 CL1 H6 77.2(6) 3_666 3_666 3_666 no H5 CL1 H6 65.0(5) 3_666 3_666 3_666 no H5 CL1 H9 127.5(6) 3_666 3_666 3_666 no H5 CL1 H10 49.8(8) 3_666 3_666 3_666 no H6 CL1 H6 58.6(9) 4 4 4 no H6 CL1 H9 64.6(6) 4 4 4 no H6 CL1 H10 112.9(7) 4 4 4 no H6 CL1 H9 64.6(6) 1_565 1_565 1_565 no H6 CL1 H10 112.9(7) 1_565 1_565 1_565 no H9 CL1 H10 177.1(8) 2_757 2_757 2_757 no CL1 O1 N1 114.70(6) 2_646 2_646 2_646 ? CL1 O1 N2 53.19(6) 2_646 2_646 2_646 ? CL1 O1 C1 83.70(13) 2_646 2_646 2_646 ? CL1 O1 C2 63.76(5) 2_646 2_646 2_646 ? CL1 O1 C2 60.94(3) 2_646 2_646 2_646 ? CL1 O1 C2 60.94(3) 2_646 2_646 2_646 ? CL1 O1 C3 83.45(4) 2_646 2_646 2_646 ? CL1 O1 C3 68.14(5) 2_646 2_646 2_646 ? CL1 O1 C4 103.25(5) 2_646 2_646 2_646 ? CL1 O1 C4 89.09(5) 2_646 2_646 2_646 ? CL1 O1 C5 111.15(7) 2_646 2_646 2_646 ? CL1 O1 C6 81.95(5) 2_646 2_646 2_646 ? CL1 O1 C6 81.95(5) 2_646 2_646 2_646 ? CL1 O1 C7 147.45(6) 2_646 2_646 2_646 ? CL1 O1 C8 149.95(4) 2_646 2_646 2_646 ? CL1 O1 C8 149.95(4) 2_646 2_646 2_646 ? CL1 O1 H1 59.8(5) 2_646 2_646 2_646 no CL1 O1 H2 113.9(6) 2_646 2_646 2_646 no CL1 O1 H3 117.0(3) 2_646 2_646 2_646 no CL1 O1 H3 117.0(3) 2_646 2_646 2_646 no CL1 O1 H4 82.9(4) 2_646 2_646 2_646 no CL1 O1 H4 82.9(4) 2_646 2_646 2_646 no CL1 O1 H5 90.2(5) 2_646 2_646 2_646 no CL1 O1 H5 90.2(5) 2_646 2_646 2_646 no CL1 O1 H6 134.8(3) 2_646 2_646 2_646 no CL1 O1 H6 134.8(3) 2_646 2_646 2_646 no CL1 O1 H10 31.7(7) 2_646 2_646 2_646 no CL1 O1 H10 68.4(4) 2_646 2_646 2_646 no CL1 O1 H10 68.4(4) 2_646 2_646 2_646 no N1 O1 N2 61.50(7) . . . ? N1 O1 C1 31.00(12) . . . ? N1 O1 C2 50.94(6) . . . ? N1 O1 C2 110.53(4) . . . ? N1 O1 C2 110.53(4) . . . ? N1 O1 C3 31.25(5) . . . ? N1 O1 C3 177.17(8) . . . ? N1 O1 C4 11.45(5) . . . ? N1 O1 C4 156.22(8) . . . ? N1 O1 C5 134.16(9) . . . ? N1 O1 C6 109.94(5) . . . ? N1 O1 C6 109.94(5) . . . ? N1 O1 C7 32.75(6) . . . ? N1 O1 C8 47.24(5) . . . ? N1 O1 C8 47.24(5) . . . ? N1 O1 H1 174.5(5) . . . no N1 O1 H2 131.4(6) . . . no N1 O1 H3 126.8(3) . . . no N1 O1 H3 126.8(3) . . . no N1 O1 H4 120.7(4) . . . no N1 O1 H4 120.7(4) . . . no N1 O1 H5 102.5(5) . . . no N1 O1 H5 102.5(5) . . . no N1 O1 H6 49.0(3) . . . no N1 O1 H6 49.0(3) . . . no N1 O1 H10 83.0(7) . . . no N1 O1 H10 82.1(4) . . . no N1 O1 H10 82.1(4) . . . no N2 O1 C1 30.51(12) . . . ? N2 O1 C2 10.56(6) . . . ? N2 O1 C2 80.74(4) . . . ? N2 O1 C2 80.74(4) . . . ? N2 O1 C3 30.25(6) . . . ? N2 O1 C3 121.33(8) . . . ? N2 O1 C4 50.05(7) . . . ? N2 O1 C4 142.28(9) . . . ? N2 O1 C5 164.34(10) . . . ? N2 O1 C6 99.51(5) . . . ? N2 O1 C6 99.51(5) . . . ? N2 O1 C7 94.26(8) . . . ? N2 O1 C8 103.82(7) . . . ? N2 O1 C8 103.82(7) . . . ? N2 O1 H1 113.0(5) . . . no N2 O1 H2 167.1(6) . . . no N2 O1 H3 165.4(4) . . . no N2 O1 H3 165.4(4) . . . no N2 O1 H4 109.3(4) . . . no N2 O1 H4 109.3(4) . . . no N2 O1 H5 101.2(5) . . . no N2 O1 H5 101.2(5) . . . no N2 O1 H6 96.0(3) . . . no N2 O1 H6 96.0(3) . . . no N2 O1 H10 21.5(7) . . . no N2 O1 H10 61.5(4) . . . no N2 O1 H10 61.5(4) . . . no C1 O1 C2 19.94(11) . . . ? C1 O1 C2 96.22(7) . . . ? C1 O1 C2 96.22(7) . . . ? C1 O1 C3 0.25(12) . . . ? C1 O1 C3 151.8(2) . . . ? C1 O1 C4 19.55(12) . . . ? C1 O1 C4 172.8(2) . . . ? C1 O1 C5 165.2(2) . . . ? C1 O1 C6 107.09(5) . . . ? C1 O1 C6 107.09(5) . . . ? C1 O1 C7 63.75(13) . . . ? C1 O1 C8 75.40(12) . . . ? C1 O1 C8 75.40(12) . . . ? C1 O1 H1 143.5(5) . . . no C1 O1 H2 162.4(6) . . . no C1 O1 H3 156.0(4) . . . no C1 O1 H3 156.0(4) . . . no C1 O1 H4 119.2(4) . . . no C1 O1 H4 119.2(4) . . . no C1 O1 H5 103.8(5) . . . no C1 O1 H5 103.8(5) . . . no C1 O1 H6 71.5(3) . . . no C1 O1 H6 71.5(3) . . . no C1 O1 H10 52.0(7) . . . no C1 O1 H10 69.0(4) . . . no C1 O1 H10 69.0(4) . . . no C2 O1 C2 86.04(4) . . . ? C2 O1 C2 86.04(4) . . . ? C2 O1 C3 19.69(5) . . . ? C2 O1 C3 131.89(7) . . . ? C2 O1 C4 39.49(5) . . . ? C2 O1 C4 152.85(7) . . . ? C2 O1 C5 174.90(9) . . . ? C2 O1 C6 102.54(4) . . . ? C2 O1 C6 102.54(4) . . . ? C2 O1 C7 83.69(6) . . . ? C2 O1 C8 93.98(6) . . . ? C2 O1 C8 93.98(6) . . . ? C2 O1 H1 123.5(5) . . . no C2 O1 H2 177.6(6) . . . no C2 O1 H3 168.6(4) . . . no C2 O1 H3 168.6(4) . . . no C2 O1 H4 113.5(4) . . . no C2 O1 H4 113.5(4) . . . no C2 O1 H5 102.5(5) . . . no C2 O1 H5 102.5(5) . . . no C2 O1 H6 87.4(3) . . . no C2 O1 H6 87.4(3) . . . no C2 O1 H10 32.1(7) . . . no C2 O1 H10 63.2(4) . . . no C2 O1 H10 63.2(4) . . . no C2 O1 C2 118.37(7) 2_646 2_646 2_646 ? C2 O1 C3 96.09(4) 2_646 2_646 2_646 ? C2 O1 C3 70.62(4) 2_646 2_646 2_646 ? C2 O1 C4 105.64(4) 2_646 2_646 2_646 ? C2 O1 C4 80.20(4) 2_646 2_646 2_646 ? C2 O1 C5 91.35(4) 2_646 2_646 2_646 ? C2 O1 C6 22.19(4) 2_646 2_646 2_646 ? C2 O1 C6 133.53(7) 2_646 2_646 2_646 ? C2 O1 C7 119.80(3) 2_646 2_646 2_646 ? C2 O1 C8 99.73(4) 2_646 2_646 2_646 ? C2 O1 C8 141.77(5) 2_646 2_646 2_646 ? C2 O1 H1 67.4(2) 2_646 2_646 2_646 no C2 O1 H2 92.7(3) 2_646 2_646 2_646 no C2 O1 H3 84.9(4) 2_646 2_646 2_646 no C2 O1 H3 104.4(4) 2_646 2_646 2_646 no C2 O1 H4 28.8(4) 2_646 2_646 2_646 no C2 O1 H4 126.3(4) 2_646 2_646 2_646 no C2 O1 H5 142.8(5) 2_646 2_646 2_646 no C2 O1 H5 29.4(5) 2_646 2_646 2_646 no C2 O1 H6 84.4(4) 2_646 2_646 2_646 no C2 O1 H6 155.7(4) 2_646 2_646 2_646 no C2 O1 H10 70.9(3) 2_646 2_646 2_646 no C2 O1 H10 28.8(4) 2_646 2_646 2_646 no C2 O1 H10 128.5(4) 2_646 2_646 2_646 no C2 O1 C3 96.09(4) 2_656 2_656 2_656 ? C2 O1 C3 70.62(4) 2_656 2_656 2_656 ? C2 O1 C4 105.64(4) 2_656 2_656 2_656 ? C2 O1 C4 80.20(4) 2_656 2_656 2_656 ? C2 O1 C5 91.35(4) 2_656 2_656 2_656 ? C2 O1 C6 133.53(7) 2_656 2_656 2_656 ? C2 O1 C6 22.19(4) 2_656 2_656 2_656 ? C2 O1 C7 119.80(3) 2_656 2_656 2_656 ? C2 O1 C8 141.77(5) 2_656 2_656 2_656 ? C2 O1 C8 99.73(4) 2_656 2_656 2_656 ? C2 O1 H1 67.4(2) 2_656 2_656 2_656 no C2 O1 H2 92.7(3) 2_656 2_656 2_656 no C2 O1 H3 104.4(4) 2_656 2_656 2_656 no C2 O1 H3 84.9(4) 2_656 2_656 2_656 no C2 O1 H4 126.3(4) 2_656 2_656 2_656 no C2 O1 H4 28.8(4) 2_656 2_656 2_656 no C2 O1 H5 29.4(5) 2_656 2_656 2_656 no C2 O1 H5 142.8(5) 2_656 2_656 2_656 no C2 O1 H6 155.7(4) 2_656 2_656 2_656 no C2 O1 H6 84.4(4) 2_656 2_656 2_656 no C2 O1 H10 70.9(3) 2_656 2_656 2_656 no C2 O1 H10 128.5(4) 2_656 2_656 2_656 no C2 O1 H10 28.8(4) 2_656 2_656 2_656 no C3 O1 C3 151.58(8) . . . ? C3 O1 C4 19.80(5) . . . ? C3 O1 C4 172.54(7) . . . ? C3 O1 C5 165.40(8) . . . ? C3 O1 C6 107.04(5) . . . ? C3 O1 C6 107.04(5) . . . ? C3 O1 C7 64.00(6) . . . ? C3 O1 C8 75.63(5) . . . ? C3 O1 C8 75.63(5) . . . ? C3 O1 H1 143.2(5) . . . no C3 O1 H2 162.7(6) . . . no C3 O1 H3 156.2(4) . . . no C3 O1 H3 156.2(4) . . . no C3 O1 H4 119.2(4) . . . no C3 O1 H4 119.2(4) . . . no C3 O1 H5 103.8(5) . . . no C3 O1 H5 103.8(5) . . . no C3 O1 H6 71.7(3) . . . no C3 O1 H6 71.7(3) . . . no C3 O1 H10 51.8(7) . . . no C3 O1 H10 68.9(4) . . . no C3 O1 H10 68.9(4) . . . no C3 O1 C4 171.38(7) 1_455 1_455 1_455 ? C3 O1 C4 20.95(4) 1_455 1_455 1_455 ? C3 O1 C5 43.01(6) 1_455 1_455 1_455 ? C3 O1 C6 70.07(5) 1_455 1_455 1_455 ? C3 O1 C6 70.07(5) 1_455 1_455 1_455 ? C3 O1 C7 144.41(7) 1_455 1_455 1_455 ? C3 O1 C8 130.28(6) 1_455 1_455 1_455 ? C3 O1 C8 130.28(6) 1_455 1_455 1_455 ? C3 O1 H1 8.4(5) 1_455 1_455 1_455 no C3 O1 H2 45.7(6) 1_455 1_455 1_455 no C3 O1 H3 50.4(3) 1_455 1_455 1_455 no C3 O1 H3 50.4(3) 1_455 1_455 1_455 no C3 O1 H4 59.0(4) 1_455 1_455 1_455 no C3 O1 H4 59.0(4) 1_455 1_455 1_455 no C3 O1 H5 77.2(5) 1_455 1_455 1_455 no C3 O1 H5 77.2(5) 1_455 1_455 1_455 no C3 O1 H6 129.2(3) 1_455 1_455 1_455 no C3 O1 H6 129.2(3) 1_455 1_455 1_455 no C3 O1 H10 99.8(7) 1_455 1_455 1_455 no C3 O1 H10 99.2(4) 1_455 1_455 1_455 no C3 O1 H10 99.2(4) 1_455 1_455 1_455 no C4 O1 C4 167.66(8) . . . ? C4 O1 C5 145.60(8) . . . ? C4 O1 C6 109.57(5) . . . ? C4 O1 C6 109.57(5) . . . ? C4 O1 C7 44.20(5) . . . ? C4 O1 C8 57.43(5) . . . ? C4 O1 C8 57.43(5) . . . ? C4 O1 H1 163.0(5) . . . no C4 O1 H2 142.9(6) . . . no C4 O1 H3 137.9(3) . . . no C4 O1 H3 137.9(3) . . . no C4 O1 H4 121.3(4) . . . no C4 O1 H4 121.3(4) . . . no C4 O1 H5 103.5(5) . . . no C4 O1 H5 103.5(5) . . . no C4 O1 H6 56.7(3) . . . no C4 O1 H6 56.7(3) . . . no C4 O1 H10 71.6(7) . . . no C4 O1 H10 76.8(4) . . . no C4 O1 H10 76.8(4) . . . no C4 O1 C5 22.06(6) 1_455 1_455 1_455 ? C4 O1 C6 71.74(5) 1_455 1_455 1_455 ? C4 O1 C6 71.74(5) 1_455 1_455 1_455 ? C4 O1 C7 123.46(7) 1_455 1_455 1_455 ? C4 O1 C8 111.28(5) 1_455 1_455 1_455 ? C4 O1 C8 111.28(5) 1_455 1_455 1_455 ? C4 O1 H1 29.3(5) 1_455 1_455 1_455 no C4 O1 H2 24.8(6) 1_455 1_455 1_455 no C4 O1 H3 30.5(3) 1_455 1_455 1_455 no C4 O1 H3 30.5(3) 1_455 1_455 1_455 no C4 O1 H4 59.6(4) 1_455 1_455 1_455 no C4 O1 H4 59.6(4) 1_455 1_455 1_455 no C4 O1 H5 76.1(5) 1_455 1_455 1_455 no C4 O1 H5 76.1(5) 1_455 1_455 1_455 no C4 O1 H6 114.1(3) 1_455 1_455 1_455 no C4 O1 H6 114.1(3) 1_455 1_455 1_455 no C4 O1 H10 120.8(7) 1_455 1_455 1_455 no C4 O1 H10 108.3(4) 1_455 1_455 1_455 no C4 O1 H10 108.3(4) 1_455 1_455 1_455 no C5 O1 C6 76.14(5) 1_455 1_455 1_455 ? C5 O1 C6 76.14(5) 1_455 1_455 1_455 ? C5 O1 C7 101.40(8) 1_455 1_455 1_455 ? C5 O1 C8 90.77(6) 1_455 1_455 1_455 ? C5 O1 C8 90.77(6) 1_455 1_455 1_455 ? C5 O1 H1 51.4(5) 1_455 1_455 1_455 no C5 O1 H2 2.7(6) 1_455 1_455 1_455 no C5 O1 H3 13.0(4) 1_455 1_455 1_455 no C5 O1 H3 13.0(4) 1_455 1_455 1_455 no C5 O1 H4 64.8(4) 1_455 1_455 1_455 no C5 O1 H4 64.8(4) 1_455 1_455 1_455 no C5 O1 H5 77.0(5) 1_455 1_455 1_455 no C5 O1 H5 77.0(5) 1_455 1_455 1_455 no C5 O1 H6 96.7(3) 1_455 1_455 1_455 no C5 O1 H6 96.7(3) 1_455 1_455 1_455 no C5 O1 H10 142.8(7) 1_455 1_455 1_455 no C5 O1 H10 115.6(4) 1_455 1_455 1_455 no C5 O1 H10 115.6(4) 1_455 1_455 1_455 no C6 O1 C6 140.11(10) 2_646 2_646 2_646 ? C6 O1 C7 106.58(5) 2_646 2_646 2_646 ? C6 O1 C8 83.82(6) 2_646 2_646 2_646 ? C6 O1 C8 124.56(7) 2_646 2_646 2_646 ? C6 O1 H1 70.17(6) 2_646 2_646 2_646 no C6 O1 H2 76.8(2) 2_646 2_646 2_646 no C6 O1 H3 67.0(4) 2_646 2_646 2_646 no C6 O1 H3 88.7(4) 2_646 2_646 2_646 no C6 O1 H4 12.2(4) 2_646 2_646 2_646 no C6 O1 H4 129.0(4) 2_646 2_646 2_646 no C6 O1 H5 147.0(5) 2_646 2_646 2_646 no C6 O1 H5 9.4(5) 2_646 2_646 2_646 no C6 O1 H6 70.8(4) 2_646 2_646 2_646 no C6 O1 H6 140.7(4) 2_646 2_646 2_646 no C6 O1 H10 92.5(2) 2_646 2_646 2_646 no C6 O1 H10 39.4(4) 2_646 2_646 2_646 no C6 O1 H10 150.3(4) 2_646 2_646 2_646 no C6 O1 C7 106.58(5) 2_656 2_656 2_656 ? C6 O1 C8 124.56(7) 2_656 2_656 2_656 ? C6 O1 C8 83.82(6) 2_656 2_656 2_656 ? C6 O1 H1 70.17(6) 2_656 2_656 2_656 no C6 O1 H2 76.8(2) 2_656 2_656 2_656 no C6 O1 H3 88.7(4) 2_656 2_656 2_656 no C6 O1 H3 67.0(4) 2_656 2_656 2_656 no C6 O1 H4 129.0(4) 2_656 2_656 2_656 no C6 O1 H4 12.2(4) 2_656 2_656 2_656 no C6 O1 H5 9.4(5) 2_656 2_656 2_656 no C6 O1 H5 147.0(5) 2_656 2_656 2_656 no C6 O1 H6 140.7(4) 2_656 2_656 2_656 no C6 O1 H6 70.8(4) 2_656 2_656 2_656 no C6 O1 H10 92.5(2) 2_656 2_656 2_656 no C6 O1 H10 150.3(4) 2_656 2_656 2_656 no C6 O1 H10 39.4(4) 2_656 2_656 2_656 no C7 O1 C8 23.44(4) . . . ? C7 O1 C8 23.44(4) . . . ? C7 O1 H1 152.8(5) . . . no C7 O1 H2 98.7(6) . . . no C7 O1 H3 94.9(3) . . . no C7 O1 H3 94.9(3) . . . no C7 O1 H4 112.1(4) . . . no C7 O1 H4 112.1(4) . . . no C7 O1 H5 97.3(5) . . . no C7 O1 H5 97.3(5) . . . no C7 O1 H6 36.1(4) . . . no C7 O1 H6 36.1(4) . . . no C7 O1 H10 115.8(7) . . . no C7 O1 H10 97.9(4) . . . no C7 O1 H10 97.9(4) . . . no C8 O1 C8 42.07(7) . . . ? C8 O1 H1 137.5(4) . . . no C8 O1 H2 88.2(6) . . . no C8 O1 H3 80.8(3) . . . no C8 O1 H3 88.9(4) . . . no C8 O1 H4 88.6(4) . . . no C8 O1 H4 126.1(4) . . . no C8 O1 H5 115.4(5) . . . no C8 O1 H5 74.5(5) . . . no C8 O1 H6 16.3(3) . . . no C8 O1 H6 57.4(4) . . . no C8 O1 H10 123.6(6) . . . no C8 O1 H10 83.9(4) . . . no C8 O1 H10 121.3(4) . . . no C8 O1 H1 137.5(4) 4 4 4 no C8 O1 H2 88.2(6) 4 4 4 no C8 O1 H3 88.9(4) 4 4 4 no C8 O1 H3 80.8(3) 4 4 4 no C8 O1 H4 126.1(4) 4 4 4 no C8 O1 H4 88.6(4) 4 4 4 no C8 O1 H5 74.5(5) 4 4 4 no C8 O1 H5 115.4(5) 4 4 4 no C8 O1 H6 57.4(4) 4 4 4 no C8 O1 H6 16.3(3) 4 4 4 no C8 O1 H10 123.6(6) 4 4 4 no C8 O1 H10 121.3(4) 4 4 4 no C8 O1 H10 83.9(4) 4 4 4 no H1 O1 H2 54.1(8) 1_455 1_455 1_455 no H1 O1 H3 58.5(6) 1_455 1_455 1_455 no H1 O1 H3 58.5(6) 1_455 1_455 1_455 no H1 O1 H4 60.1(4) 1_455 1_455 1_455 no H1 O1 H4 60.1(4) 1_455 1_455 1_455 no H1 O1 H5 78.1(5) 1_455 1_455 1_455 no H1 O1 H5 78.1(5) 1_455 1_455 1_455 no H1 O1 H6 134.3(4) 1_455 1_455 1_455 no H1 O1 H6 134.3(4) 1_455 1_455 1_455 no H1 O1 H10 91.4(8) 1_455 1_455 1_455 no H1 O1 H10 95.2(5) 1_455 1_455 1_455 no H1 O1 H10 95.2(5) 1_455 1_455 1_455 no H2 O1 H3 11.9(4) 1_455 1_455 1_455 no H2 O1 H3 11.9(4) 1_455 1_455 1_455 no H2 O1 H4 65.7(5) 1_455 1_455 1_455 no H2 O1 H4 65.7(5) 1_455 1_455 1_455 no H2 O1 H5 77.2(5) 1_455 1_455 1_455 no H2 O1 H5 77.2(5) 1_455 1_455 1_455 no H2 O1 H6 94.5(6) 1_455 1_455 1_455 no H2 O1 H6 94.5(6) 1_455 1_455 1_455 no H2 O1 H10 145.5(10) 1_455 1_455 1_455 no H2 O1 H10 116.2(4) 1_455 1_455 1_455 no H2 O1 H10 116.2(4) 1_455 1_455 1_455 no H3 O1 H3 22.6(8) 1_455 1_455 1_455 no H3 O1 H4 56.6(6) 1_455 1_455 1_455 no H3 O1 H4 77.6(6) 1_455 1_455 1_455 no H3 O1 H5 88.9(6) 1_455 1_455 1_455 no H3 O1 H5 66.4(6) 1_455 1_455 1_455 no H3 O1 H6 84.8(5) 1_455 1_455 1_455 no H3 O1 H6 98.1(5) 1_455 1_455 1_455 no H3 O1 H10 147.5(7) 1_455 1_455 1_455 no H3 O1 H10 105.9(5) 1_455 1_455 1_455 no H3 O1 H10 128.1(5) 1_455 1_455 1_455 no H3 O1 H4 77.6(6) 4_455 4_455 4_455 no H3 O1 H4 56.6(6) 4_455 4_455 4_455 no H3 O1 H5 66.4(6) 4_455 4_455 4_455 no H3 O1 H5 88.9(6) 4_455 4_455 4_455 no H3 O1 H6 98.1(5) 4_455 4_455 4_455 no H3 O1 H6 84.8(5) 4_455 4_455 4_455 no H3 O1 H10 147.5(7) 4_455 4_455 4_455 no H3 O1 H10 128.1(5) 4_455 4_455 4_455 no H3 O1 H10 105.9(5) 4_455 4_455 4_455 no H4 O1 H4 117.4(8) 2_646 2_646 2_646 no H4 O1 H5 135.1(7) 2_646 2_646 2_646 no H4 O1 H5 18.2(6) 2_646 2_646 2_646 no H4 O1 H6 77.6(5) 2_646 2_646 2_646 no H4 O1 H6 142.1(5) 2_646 2_646 2_646 no H4 O1 H10 99.2(6) 2_646 2_646 2_646 no H4 O1 H10 51.0(5) 2_646 2_646 2_646 no H4 O1 H10 149.5(6) 2_646 2_646 2_646 no H4 O1 H5 18.2(6) 2_656 2_656 2_656 no H4 O1 H5 135.1(7) 2_656 2_656 2_656 no H4 O1 H6 142.1(5) 2_656 2_656 2_656 no H4 O1 H6 77.6(5) 2_656 2_656 2_656 no H4 O1 H10 99.2(6) 2_656 2_656 2_656 no H4 O1 H10 149.5(6) 2_656 2_656 2_656 no H4 O1 H10 51.0(5) 2_656 2_656 2_656 no H5 O1 H5 152.2(10) 2_656 2_656 2_656 no H5 O1 H6 131.5(6) 2_656 2_656 2_656 no H5 O1 H6 61.5(6) 2_656 2_656 2_656 no H5 O1 H10 97.4(5) 2_656 2_656 2_656 no H5 O1 H10 157.8(6) 2_656 2_656 2_656 no H5 O1 H10 39.7(6) 2_656 2_656 2_656 no H5 O1 H6 61.5(6) 3_656 3_656 3_656 no H5 O1 H6 131.5(6) 3_656 3_656 3_656 no H5 O1 H10 97.4(5) 3_656 3_656 3_656 no H5 O1 H10 39.7(6) 3_656 3_656 3_656 no H5 O1 H10 157.8(6) 3_656 3_656 3_656 no H6 O1 H6 71.9(7) . . . no H6 O1 H10 113.0(6) . . . no H6 O1 H10 67.6(5) . . . no H6 O1 H10 130.1(5) . . . no H6 O1 H10 113.0(6) 4 4 4 no H6 O1 H10 130.1(5) 4 4 4 no H6 O1 H10 67.6(5) 4 4 4 no H10 O1 H10 61.2(3) . . . no H10 O1 H10 61.2(3) . . . no H10 O1 H10 121.6(7) 2_646 2_646 2_646 no CL1 N1 CL1 154.68(5) . . . ? CL1 N1 O1 92.06(3) . . . ? CL1 N1 N2 80.41(3) . . . ? CL1 N1 C1 86.29(4) . . . ? CL1 N1 C2 77.58(3) . . . ? CL1 N1 C3 78.05(2) . . . ? CL1 N1 C4 81.84(3) . . . ? CL1 N1 C5 88.28(3) . . . ? CL1 N1 C7 102.51(3) . . . ? CL1 N1 C8 131.76(6) . . . ? CL1 N1 C8 73.26(5) . . . ? CL1 N1 C9 120.92(5) . . . ? CL1 N1 C9 84.08(4) . . . ? CL1 N1 H1 78.87(5) . . . no CL1 N1 H2 86.16(10) . . . no CL1 N1 H3 106.9(5) . . . no CL1 N1 H3 75.4(5) . . . no CL1 N1 H5 51.3(4) . . . no CL1 N1 H5 135.1(4) . . . no CL1 N1 H6 153.5(5) . . . no CL1 N1 H6 51.5(5) . . . no CL1 N1 H10 81.80(9) . . . no CL1 N1 O1 92.06(3) 1_545 1_545 1_545 ? CL1 N1 N2 80.41(3) 1_545 1_545 1_545 ? CL1 N1 C1 86.29(4) 1_545 1_545 1_545 ? CL1 N1 C2 77.58(3) 1_545 1_545 1_545 ? CL1 N1 C3 78.05(2) 1_545 1_545 1_545 ? CL1 N1 C4 81.84(3) 1_545 1_545 1_545 ? CL1 N1 C5 88.28(3) 1_545 1_545 1_545 ? CL1 N1 C7 102.51(3) 1_545 1_545 1_545 ? CL1 N1 C8 73.26(5) 1_545 1_545 1_545 ? CL1 N1 C8 131.76(6) 1_545 1_545 1_545 ? CL1 N1 C9 84.08(4) 1_545 1_545 1_545 ? CL1 N1 C9 120.92(5) 1_545 1_545 1_545 ? CL1 N1 H1 78.87(5) 1_545 1_545 1_545 no CL1 N1 H2 86.16(10) 1_545 1_545 1_545 no CL1 N1 H3 75.4(5) 1_545 1_545 1_545 no CL1 N1 H3 106.9(5) 1_545 1_545 1_545 no CL1 N1 H5 135.1(4) 1_545 1_545 1_545 no CL1 N1 H5 51.3(4) 1_545 1_545 1_545 no CL1 N1 H6 51.5(5) 1_545 1_545 1_545 no CL1 N1 H6 153.5(5) 1_545 1_545 1_545 no CL1 N1 H10 81.80(9) 1_545 1_545 1_545 no O1 N1 N2 58.92(7) . . . ? O1 N1 C1 26.64(9) . . . ? O1 N1 C2 88.43(8) . . . ? O1 N1 C3 118.64(9) . . . ? O1 N1 C4 149.08(13) . . . ? O1 N1 C5 178.40(10) . . . ? O1 N1 C7 89.45(11) . . . ? O1 N1 C8 89.39(7) . . . ? O1 N1 C8 89.39(7) . . . ? O1 N1 C9 89.58(6) . . . ? O1 N1 C9 89.58(6) . . . ? O1 N1 H1 127.7(4) . . . no O1 N1 H2 171.7(5) . . . no O1 N1 H3 158.3(5) . . . no O1 N1 H3 158.3(5) . . . no O1 N1 H5 43.4(4) . . . no O1 N1 H5 43.4(4) . . . no O1 N1 H6 89.9(4) . . . no O1 N1 H6 89.9(4) . . . no O1 N1 H10 50.0(5) . . . no N2 N1 C1 32.28(9) . . . ? N2 N1 C2 29.50(6) . . . ? N2 N1 C3 59.71(8) . . . ? N2 N1 C4 90.16(12) . . . ? N2 N1 C5 122.67(10) . . . ? N2 N1 C7 148.37(13) . . . ? N2 N1 C8 137.87(7) . . . ? N2 N1 C8 137.87(7) . . . ? N2 N1 C9 143.97(7) . . . ? N2 N1 C9 143.97(7) . . . ? N2 N1 H1 68.8(4) . . . no N2 N1 H2 112.7(5) . . . no N2 N1 H3 133.6(5) . . . no N2 N1 H3 133.6(5) . . . no N2 N1 H5 71.8(3) . . . no N2 N1 H5 71.8(3) . . . no N2 N1 H6 122.5(4) . . . no N2 N1 H6 122.5(4) . . . no N2 N1 H10 8.9(5) . . . no C1 N1 C2 61.78(10) . . . ? C1 N1 C3 92.00(12) . . . ? C1 N1 C4 122.4(2) . . . ? C1 N1 C5 154.95(13) . . . ? C1 N1 C7 116.1(2) . . . ? C1 N1 C8 112.43(10) . . . ? C1 N1 C8 112.43(10) . . . ? C1 N1 C9 114.76(10) . . . ? C1 N1 C9 114.76(10) . . . ? C1 N1 H1 101.1(4) . . . no C1 N1 H2 145.0(5) . . . no C1 N1 H3 160.1(5) . . . no C1 N1 H3 160.1(5) . . . no C1 N1 H5 51.9(3) . . . no C1 N1 H5 51.9(3) . . . no C1 N1 H6 106.3(4) . . . no C1 N1 H6 106.3(4) . . . no C1 N1 H10 23.4(5) . . . no C2 N1 C3 30.21(7) . . . ? C2 N1 C4 60.65(11) . . . ? C2 N1 C5 93.17(9) . . . ? C2 N1 C7 177.87(13) . . . ? C2 N1 C8 150.65(5) . . . ? C2 N1 C8 150.65(5) . . . ? C2 N1 C9 161.46(3) . . . ? C2 N1 C9 161.46(3) . . . ? C2 N1 H1 39.3(4) . . . no C2 N1 H2 83.2(5) . . . no C2 N1 H3 105.7(5) . . . no C2 N1 H3 105.7(5) . . . no C2 N1 H5 93.0(3) . . . no C2 N1 H5 93.0(3) . . . no C2 N1 H6 128.9(5) . . . no C2 N1 H6 128.9(5) . . . no C2 N1 H10 38.4(5) . . . no C3 N1 C4 30.44(11) . . . ? C3 N1 C5 62.96(9) . . . ? C3 N1 C7 151.9(1) . . . ? C3 N1 C8 140.42(7) . . . ? C3 N1 C8 140.42(7) . . . ? C3 N1 C9 146.73(7) . . . ? C3 N1 C9 146.73(7) . . . ? C3 N1 H1 9.1(4) . . . no C3 N1 H2 53.0(5) . . . no C3 N1 H3 76.7(5) . . . no C3 N1 H3 76.7(5) . . . no C3 N1 H5 114.3(3) . . . no C3 N1 H5 114.3(3) . . . no C3 N1 H6 123.5(4) . . . no C3 N1 H6 123.5(4) . . . no C3 N1 H10 68.6(5) . . . no C4 N1 C5 32.51(11) . . . ? C4 N1 C7 121.5(2) . . . ? C4 N1 C8 117.22(11) . . . ? C4 N1 C8 117.22(11) . . . ? C4 N1 C9 119.59(11) . . . ? C4 N1 C9 119.59(11) . . . ? C4 N1 H1 21.4(4) . . . no C4 N1 H2 22.6(5) . . . no C4 N1 H3 47.9(5) . . . no C4 N1 H3 47.9(5) . . . no C4 N1 H5 131.3(3) . . . no C4 N1 H5 131.3(3) . . . no C4 N1 H6 108.9(4) . . . no C4 N1 H6 108.9(4) . . . no C4 N1 H10 99.0(5) . . . no C5 N1 C7 88.96(13) . . . ? C5 N1 C8 89.22(9) . . . ? C5 N1 C8 89.22(9) . . . ? C5 N1 C9 88.91(8) . . . ? C5 N1 C9 88.91(8) . . . ? C5 N1 H1 53.9(4) . . . no C5 N1 H2 9.9(5) . . . no C5 N1 H3 20.7(5) . . . no C5 N1 H3 20.7(5) . . . no C5 N1 H5 136.4(4) . . . no C5 N1 H5 136.4(4) . . . no C5 N1 H6 89.1(4) . . . no C5 N1 H6 89.1(4) . . . no C5 N1 H10 131.6(5) . . . no C7 N1 C8 29.27(5) . . . ? C7 N1 C8 29.27(5) . . . ? C7 N1 C9 18.43(3) . . . ? C7 N1 C9 18.43(3) . . . ? C7 N1 H1 142.9(4) . . . no C7 N1 H2 98.9(5) . . . no C7 N1 H3 76.4(5) . . . no C7 N1 H3 76.4(5) . . . no C7 N1 H5 85.4(3) . . . no C7 N1 H5 85.4(3) . . . no C7 N1 H6 51.1(5) . . . no C7 N1 H6 51.1(5) . . . no C7 N1 H10 139.5(5) . . . no C8 N1 C8 58.53(10) . . . ? C8 N1 C9 10.84(5) . . . ? C8 N1 C9 47.70(6) . . . ? C8 N1 H1 134.2(3) . . . no C8 N1 H2 97.9(4) . . . no C8 N1 H3 70.1(5) . . . no C8 N1 H3 86.1(5) . . . no C8 N1 H5 105.2(3) . . . no C8 N1 H5 66.1(3) . . . no C8 N1 H6 21.8(4) . . . no C8 N1 H6 80.3(5) . . . no C8 N1 H10 131.4(4) . . . no C8 N1 C9 47.70(6) 4 4 4 ? C8 N1 C9 10.84(5) 4 4 4 ? C8 N1 H1 134.2(3) 4 4 4 no C8 N1 H2 97.9(4) 4 4 4 no C8 N1 H3 86.1(5) 4 4 4 no C8 N1 H3 70.1(5) 4 4 4 no C8 N1 H5 66.1(3) 4 4 4 no C8 N1 H5 105.2(3) 4 4 4 no C8 N1 H6 80.3(5) 4 4 4 no C8 N1 H6 21.8(4) 4 4 4 no C8 N1 H10 131.4(4) 4 4 4 no C9 N1 C9 36.87(7) . . . ? C9 N1 H1 139.0(3) . . . no C9 N1 H2 98.3(5) . . . no C9 N1 H3 71.7(5) . . . no C9 N1 H3 82.1(5) . . . no C9 N1 H5 98.1(3) . . . no C9 N1 H5 73.1(3) . . . no C9 N1 H6 32.6(5) . . . no C9 N1 H6 69.5(5) . . . no C9 N1 H10 136.2(5) . . . no C9 N1 H1 139.0(3) 4 4 4 no C9 N1 H2 98.3(5) 4 4 4 no C9 N1 H3 82.1(5) 4 4 4 no C9 N1 H3 71.7(5) 4 4 4 no C9 N1 H5 73.1(3) 4 4 4 no C9 N1 H5 98.1(3) 4 4 4 no C9 N1 H6 69.5(5) 4 4 4 no C9 N1 H6 32.6(5) 4 4 4 no C9 N1 H10 136.2(5) 4 4 4 no H1 N1 H2 44.0(6) . . . no H1 N1 H3 68.0(6) . . . no H1 N1 H3 68.0(6) . . . no H1 N1 H5 120.1(4) . . . no H1 N1 H5 120.1(4) . . . no H1 N1 H6 119.9(5) . . . no H1 N1 H6 119.9(5) . . . no H1 N1 H10 77.7(6) . . . no H2 N1 H3 27.9(6) . . . no H2 N1 H3 27.9(6) . . . no H2 N1 H5 136.8(4) . . . no H2 N1 H5 136.8(4) . . . no H2 N1 H6 95.3(5) . . . no H2 N1 H6 95.3(5) . . . no H2 N1 H10 121.6(7) . . . no H3 N1 H3 32.3(11) . . . no H3 N1 H5 147.9(6) . . . no H3 N1 H5 117.8(7) . . . no H3 N1 H6 68.4(7) . . . no H3 N1 H6 93.7(7) . . . no H3 N1 H10 141.7(7) . . . no H3 N1 H5 117.8(7) 4 4 4 no H3 N1 H5 147.9(6) 4 4 4 no H3 N1 H6 93.7(7) 4 4 4 no H3 N1 H6 68.4(7) 4 4 4 no H3 N1 H10 141.7(7) 4 4 4 no H5 N1 H5 86.2(7) 2_656 2_656 2_656 no H5 N1 H6 119.0(6) 2_656 2_656 2_656 no H5 N1 H6 54.6(5) 2_656 2_656 2_656 no H5 N1 H10 65.8(5) 2_656 2_656 2_656 no H5 N1 H6 54.6(5) 3_656 3_656 3_656 no H5 N1 H6 119.0(6) 3_656 3_656 3_656 no H5 N1 H10 65.8(5) 3_656 3_656 3_656 no H6 N1 H6 102.1(9) . . . no H6 N1 H10 118.7(5) . . . no H6 N1 H10 118.7(5) 4 4 4 no CL1 N2 CL1 123.61(5) . . . ? CL1 N2 CL1 117.21(3) . . . ? CL1 N2 O1 83.15(4) . . . ? CL1 N2 N1 62.96(3) . . . ? CL1 N2 N2 164.44(8) . . . ? CL1 N2 N2 47.68(3) . . . ? CL1 N2 C1 71.82(5) . . . ? CL1 N2 C1 175.33(5) . . . ? CL1 N2 C1 59.12(3) . . . ? CL1 N2 C2 83.44(6) . . . ? CL1 N2 C3 70.50(4) . . . ? CL1 N2 C4 62.77(3) . . . ? CL1 N2 C6 99.02(5) . . . ? CL1 N2 C7 65.32(3) . . . ? CL1 N2 H1 73.3(2) . . . no CL1 N2 H4 94.2(2) . . . no CL1 N2 H5 119.3(6) . . . no CL1 N2 H5 92.1(6) . . . no CL1 N2 H5 49.5(4) . . . no CL1 N2 H5 124.8(3) . . . no CL1 N2 H10 116.8(3) . . . no CL1 N2 H10 155.2(5) . . . no CL1 N2 H10 33.9(5) . . . no CL1 N2 CL1 117.21(3) 1_545 1_545 1_545 ? CL1 N2 O1 83.15(4) 1_545 1_545 1_545 ? CL1 N2 N1 62.96(3) 1_545 1_545 1_545 ? CL1 N2 N2 47.68(3) 1_545 1_545 1_545 ? CL1 N2 N2 164.44(8) 1_545 1_545 1_545 ? CL1 N2 C1 71.82(5) 1_545 1_545 1_545 ? CL1 N2 C1 59.12(3) 1_545 1_545 1_545 ? CL1 N2 C1 175.33(5) 1_545 1_545 1_545 ? CL1 N2 C2 83.44(6) 1_545 1_545 1_545 ? CL1 N2 C3 70.50(4) 1_545 1_545 1_545 ? CL1 N2 C4 62.77(3) 1_545 1_545 1_545 ? CL1 N2 C6 99.02(5) 1_545 1_545 1_545 ? CL1 N2 C7 65.32(3) 1_545 1_545 1_545 ? CL1 N2 H1 73.3(2) 1_545 1_545 1_545 no CL1 N2 H4 94.2(2) 1_545 1_545 1_545 no CL1 N2 H5 92.1(6) 1_545 1_545 1_545 no CL1 N2 H5 119.3(6) 1_545 1_545 1_545 no CL1 N2 H5 124.8(3) 1_545 1_545 1_545 no CL1 N2 H5 49.5(4) 1_545 1_545 1_545 no CL1 N2 H10 116.8(3) 1_545 1_545 1_545 no CL1 N2 H10 33.9(5) 1_545 1_545 1_545 no CL1 N2 H10 155.2(5) 1_545 1_545 1_545 no CL1 N2 O1 90.06(7) 2_646 2_646 2_646 ? CL1 N2 N1 149.63(8) 2_646 2_646 2_646 ? CL1 N2 N2 69.53(6) 2_646 2_646 2_646 ? CL1 N2 N2 69.53(6) 2_646 2_646 2_646 ? CL1 N2 C1 116.75(13) 2_646 2_646 2_646 ? CL1 N2 C1 61.42(4) 2_646 2_646 2_646 ? CL1 N2 C1 61.42(4) 2_646 2_646 2_646 ? CL1 N2 C2 118.56(13) 2_646 2_646 2_646 ? CL1 N2 C3 149.51(8) 2_646 2_646 2_646 ? CL1 N2 C4 179.88(7) 2_646 2_646 2_646 ? CL1 N2 C6 85.18(9) 2_646 2_646 2_646 ? CL1 N2 C7 137.53(6) 2_646 2_646 2_646 ? CL1 N2 H1 142.0(4) 2_646 2_646 2_646 no CL1 N2 H4 95.7(5) 2_646 2_646 2_646 no CL1 N2 H5 70.2(5) 2_646 2_646 2_646 no CL1 N2 H5 70.2(5) 2_646 2_646 2_646 no CL1 N2 H5 84.3(3) 2_646 2_646 2_646 no CL1 N2 H5 84.3(3) 2_646 2_646 2_646 no CL1 N2 H10 2.7(17) 2_646 2_646 2_646 no CL1 N2 H10 83.3(5) 2_646 2_646 2_646 no CL1 N2 H10 83.3(5) 2_646 2_646 2_646 no O1 N2 N1 59.57(7) . . . ? O1 N2 N2 82.83(5) . . . ? O1 N2 N2 82.83(5) . . . ? O1 N2 C1 26.70(10) . . . ? O1 N2 C1 101.19(5) . . . ? O1 N2 C1 101.19(5) . . . ? O1 N2 C2 151.4(2) . . . ? O1 N2 C3 120.43(10) . . . ? O1 N2 C4 89.83(8) . . . ? O1 N2 C6 175.24(12) . . . ? O1 N2 C7 47.47(6) . . . ? O1 N2 H1 127.9(4) . . . no O1 N2 H4 174.2(5) . . . no O1 N2 H5 154.8(6) . . . no O1 N2 H5 154.8(6) . . . no O1 N2 H5 44.3(4) . . . no O1 N2 H5 44.3(4) . . . no O1 N2 H10 87.4(17) . . . no O1 N2 H10 83.1(4) . . . no O1 N2 H10 83.1(4) . . . no N1 N2 N2 103.79(6) . . . ? N1 N2 N2 103.79(6) . . . ? N1 N2 C1 32.88(10) . . . ? N1 N2 C1 120.70(4) . . . ? N1 N2 C1 120.70(4) . . . ? N1 N2 C2 91.8(1) . . . ? N1 N2 C3 60.86(8) . . . ? N1 N2 C4 30.25(6) . . . ? N1 N2 C6 125.19(11) . . . ? N1 N2 C7 12.10(5) . . . ? N1 N2 H1 68.3(4) . . . no N1 N2 H4 114.7(5) . . . no N1 N2 H5 138.6(5) . . . no N1 N2 H5 138.6(5) . . . no N1 N2 H5 74.0(3) . . . no N1 N2 H5 74.0(3) . . . no N1 N2 H10 147.0(17) . . . no N1 N2 H10 92.2(5) . . . no N1 N2 H10 92.2(5) . . . no N2 N2 N2 136.40(11) 2_646 2_646 2_646 ? N2 N2 C1 92.62(6) 2_646 2_646 2_646 ? N2 N2 C1 20.23(4) 2_646 2_646 2_646 ? N2 N2 C1 130.71(9) 2_646 2_646 2_646 ? N2 N2 C2 106.09(6) 2_646 2_646 2_646 ? N2 N2 C3 111.40(5) 2_646 2_646 2_646 ? N2 N2 C4 110.45(6) 2_646 2_646 2_646 ? N2 N2 C6 95.47(6) 2_646 2_646 2_646 ? N2 N2 C7 99.98(6) 2_646 2_646 2_646 ? N2 N2 H1 110.65(7) 2_646 2_646 2_646 no N2 N2 H4 99.2(2) 2_646 2_646 2_646 no N2 N2 H5 75.9(6) 2_646 2_646 2_646 no N2 N2 H5 103.5(6) 2_646 2_646 2_646 no N2 N2 H5 121.2(4) 2_646 2_646 2_646 no N2 N2 H5 39.9(3) 2_646 2_646 2_646 no N2 N2 H10 69.2(2) 2_646 2_646 2_646 no N2 N2 H10 13.8(5) 2_646 2_646 2_646 no N2 N2 H10 149.3(5) 2_646 2_646 2_646 no N2 N2 C1 92.62(6) 2_656 2_656 2_656 ? N2 N2 C1 130.71(9) 2_656 2_656 2_656 ? N2 N2 C1 20.23(4) 2_656 2_656 2_656 ? N2 N2 C2 106.09(6) 2_656 2_656 2_656 ? N2 N2 C3 111.40(5) 2_656 2_656 2_656 ? N2 N2 C4 110.45(6) 2_656 2_656 2_656 ? N2 N2 C6 95.47(6) 2_656 2_656 2_656 ? N2 N2 C7 99.98(6) 2_656 2_656 2_656 ? N2 N2 H1 110.65(7) 2_656 2_656 2_656 no N2 N2 H4 99.2(2) 2_656 2_656 2_656 no N2 N2 H5 103.5(6) 2_656 2_656 2_656 no N2 N2 H5 75.9(6) 2_656 2_656 2_656 no N2 N2 H5 39.9(3) 2_656 2_656 2_656 no N2 N2 H5 121.2(4) 2_656 2_656 2_656 no N2 N2 H10 69.2(2) 2_656 2_656 2_656 no N2 N2 H10 149.3(5) 2_656 2_656 2_656 no N2 N2 H10 13.8(5) 2_656 2_656 2_656 no C1 N2 C1 112.84(5) . . . ? C1 N2 C1 112.84(5) . . . ? C1 N2 C2 124.7(2) . . . ? C1 N2 C3 93.7(1) . . . ? C1 N2 C4 63.13(12) . . . ? C1 N2 C6 158.1(2) . . . ? C1 N2 C7 20.77(11) . . . ? C1 N2 H1 101.2(4) . . . no C1 N2 H4 147.5(5) . . . no C1 N2 H5 163.9(6) . . . no C1 N2 H5 163.9(6) . . . no C1 N2 H5 53.6(3) . . . no C1 N2 H5 53.6(3) . . . no C1 N2 H10 114.1(17) . . . no C1 N2 H10 86.8(4) . . . no C1 N2 H10 86.8(4) . . . no C1 N2 C1 117.86(7) 2_646 2_646 2_646 ? C1 N2 C2 93.36(7) 2_646 2_646 2_646 ? C1 N2 C3 108.30(5) 2_646 2_646 2_646 ? C1 N2 C4 118.60(4) 2_646 2_646 2_646 ? C1 N2 C6 76.52(5) 2_646 2_646 2_646 ? C1 N2 C7 118.92(4) 2_646 2_646 2_646 ? C1 N2 H1 105.0(2) 2_646 2_646 2_646 no C1 N2 H4 81.7(3) 2_646 2_646 2_646 no C1 N2 H5 56.1(6) 2_646 2_646 2_646 no C1 N2 H5 83.3(6) 2_646 2_646 2_646 no C1 N2 H5 133.1(4) 2_646 2_646 2_646 no C1 N2 H5 59.9(3) 2_646 2_646 2_646 no C1 N2 H10 62.0(4) 2_646 2_646 2_646 no C1 N2 H10 28.8(5) 2_646 2_646 2_646 no C1 N2 H10 144.3(5) 2_646 2_646 2_646 no C1 N2 C2 93.36(7) 2_656 2_656 2_656 ? C1 N2 C3 108.30(5) 2_656 2_656 2_656 ? C1 N2 C4 118.60(4) 2_656 2_656 2_656 ? C1 N2 C6 76.52(5) 2_656 2_656 2_656 ? C1 N2 C7 118.92(4) 2_656 2_656 2_656 ? C1 N2 H1 105.0(2) 2_656 2_656 2_656 no C1 N2 H4 81.7(3) 2_656 2_656 2_656 no C1 N2 H5 83.3(6) 2_656 2_656 2_656 no C1 N2 H5 56.1(6) 2_656 2_656 2_656 no C1 N2 H5 59.9(3) 2_656 2_656 2_656 no C1 N2 H5 133.1(4) 2_656 2_656 2_656 no C1 N2 H10 62.0(4) 2_656 2_656 2_656 no C1 N2 H10 144.3(5) 2_656 2_656 2_656 no C1 N2 H10 28.8(5) 2_656 2_656 2_656 no C2 N2 C3 30.95(11) . . . ? C2 N2 C4 61.56(12) . . . ? C2 N2 C6 33.38(12) . . . ? C2 N2 C7 103.91(13) . . . ? C2 N2 H1 23.5(4) . . . no C2 N2 H4 22.9(5) . . . no C2 N2 H5 50.8(6) . . . no C2 N2 H5 50.8(6) . . . no C2 N2 H5 132.5(4) . . . no C2 N2 H5 132.5(4) . . . no C2 N2 H10 121.2(17) . . . no C2 N2 H10 99.3(5) . . . no C2 N2 H10 99.3(5) . . . no C3 N2 C4 30.61(7) . . . ? C3 N2 C6 64.33(10) . . . ? C3 N2 C7 72.96(8) . . . ? C3 N2 H1 7.5(4) . . . no C3 N2 H4 53.8(5) . . . no C3 N2 H5 80.4(5) . . . no C3 N2 H5 80.4(5) . . . no C3 N2 H5 116.7(4) . . . no C3 N2 H5 116.7(4) . . . no C3 N2 H10 152.2(17) . . . no C3 N2 H10 99.3(5) . . . no C3 N2 H10 99.3(5) . . . no C4 N2 C6 94.94(10) . . . ? C4 N2 C7 42.35(5) . . . ? C4 N2 H1 38.1(4) . . . no C4 N2 H4 84.4(5) . . . no C4 N2 H5 110.0(5) . . . no C4 N2 H5 110.0(5) . . . no C4 N2 H5 95.6(4) . . . no C4 N2 H5 95.6(4) . . . no C4 N2 H10 177.2(17) . . . no C4 N2 H10 96.6(5) . . . no C4 N2 H10 96.6(5) . . . no C6 N2 C7 137.29(10) . . . ? C6 N2 H1 56.9(4) . . . no C6 N2 H4 10.5(5) . . . no C6 N2 H5 21.5(6) . . . no C6 N2 H5 21.5(6) . . . no C6 N2 H5 134.8(3) . . . no C6 N2 H5 134.8(3) . . . no C6 N2 H10 87.9(17) . . . no C6 N2 H10 96.4(4) . . . no C6 N2 H10 96.4(4) . . . no C7 N2 H1 80.4(4) . . . no C7 N2 H4 126.8(5) . . . no C7 N2 H5 149.5(5) . . . no C7 N2 H5 149.5(5) . . . no C7 N2 H5 65.8(3) . . . no C7 N2 H5 65.8(3) . . . no C7 N2 H10 134.8(17) . . . no C7 N2 H10 90.2(5) . . . no C7 N2 H10 90.2(5) . . . no H1 N2 H4 46.4(6) . . . no H1 N2 H5 73.2(7) . . . no H1 N2 H5 73.2(7) . . . no H1 N2 H5 121.2(4) . . . no H1 N2 H5 121.2(4) . . . no H1 N2 H10 144.7(18) . . . no H1 N2 H10 99.5(5) . . . no H1 N2 H10 99.5(5) . . . no H4 N2 H5 29.9(7) . . . no H4 N2 H5 29.9(7) . . . no H4 N2 H5 136.2(4) . . . no H4 N2 H5 136.2(4) . . . no H4 N2 H10 98.4(18) . . . no H4 N2 H10 97.6(4) . . . no H4 N2 H10 97.6(4) . . . no H5 N2 H5 29.8(12) . . . no H5 N2 H5 142.3(7) . . . no H5 N2 H5 115.8(5) . . . no H5 N2 H10 72.7(17) . . . no H5 N2 H10 79.4(7) . . . no H5 N2 H10 108.9(7) . . . no H5 N2 H5 115.8(5) 4 4 4 no H5 N2 H5 142.3(7) 4 4 4 no H5 N2 H10 72.7(17) 4 4 4 no H5 N2 H10 108.9(7) 4 4 4 no H5 N2 H10 79.4(7) 4 4 4 no H5 N2 H5 87.5(7) 2_656 2_656 2_656 no H5 N2 H10 82.4(13) 2_656 2_656 2_656 no H5 N2 H10 125.7(6) 2_656 2_656 2_656 no H5 N2 H10 38.7(5) 2_656 2_656 2_656 no H5 N2 H10 82.4(13) 3_656 3_656 3_656 no H5 N2 H10 38.7(5) 3_656 3_656 3_656 no H5 N2 H10 125.7(6) 3_656 3_656 3_656 no H10 N2 H10 83.0(5) . . . no H10 N2 H10 83.0(5) . . . no H10 N2 H10 160.7(10) 2_646 2_646 2_646 no CL1 C1 CL1 135.83(6) . . . ? CL1 C1 CL1 103.27(4) . . . ? CL1 C1 O1 109.80(4) . . . ? CL1 C1 N1 71.39(4) . . . ? CL1 C1 N2 87.34(5) . . . ? CL1 C1 N2 154.49(6) . . . ? CL1 C1 N2 46.77(3) . . . ? CL1 C1 C2 77.72(4) . . . ? CL1 C1 C3 70.26(3) . . . ? CL1 C1 C4 67.96(3) . . . ? CL1 C1 C5 68.81(3) . . . ? CL1 C1 C6 82.21(4) . . . ? CL1 C1 C7 80.77(4) . . . ? CL1 C1 C8 103.30(6) . . . ? CL1 C1 C8 63.08(4) . . . ? CL1 C1 H1 70.14(6) . . . no CL1 C1 H1 112.08(3) . . . no CL1 C1 H2 107.38(10) . . . no CL1 C1 H3 80.4(4) . . . no CL1 C1 H3 59.5(4) . . . no CL1 C1 H5 94.9(4) . . . no CL1 C1 H5 76.8(4) . . . no CL1 C1 H5 55.5(4) . . . no CL1 C1 H5 163.3(4) . . . no CL1 C1 H6 117.2(4) . . . no CL1 C1 H6 46.3(4) . . . no CL1 C1 H10 96.6(3) . . . no CL1 C1 H10 155.0(4) . . . no CL1 C1 H10 34.4(4) . . . no CL1 C1 CL1 103.27(4) 1_545 1_545 1_545 ? CL1 C1 O1 109.80(4) 1_545 1_545 1_545 ? CL1 C1 N1 71.39(4) 1_545 1_545 1_545 ? CL1 C1 N2 87.34(5) 1_545 1_545 1_545 ? CL1 C1 N2 46.77(3) 1_545 1_545 1_545 ? CL1 C1 N2 154.49(6) 1_545 1_545 1_545 ? CL1 C1 C2 77.72(4) 1_545 1_545 1_545 ? CL1 C1 C3 70.26(3) 1_545 1_545 1_545 ? CL1 C1 C4 67.96(3) 1_545 1_545 1_545 ? CL1 C1 C5 68.81(3) 1_545 1_545 1_545 ? CL1 C1 C6 82.21(4) 1_545 1_545 1_545 ? CL1 C1 C7 80.77(4) 1_545 1_545 1_545 ? CL1 C1 C8 63.08(4) 1_545 1_545 1_545 ? CL1 C1 C8 103.30(6) 1_545 1_545 1_545 ? CL1 C1 H1 70.14(6) 1_545 1_545 1_545 no CL1 C1 H1 112.08(3) 1_545 1_545 1_545 no CL1 C1 H2 107.38(10) 1_545 1_545 1_545 no CL1 C1 H3 59.5(4) 1_545 1_545 1_545 no CL1 C1 H3 80.4(4) 1_545 1_545 1_545 no CL1 C1 H5 76.8(4) 1_545 1_545 1_545 no CL1 C1 H5 94.9(4) 1_545 1_545 1_545 no CL1 C1 H5 163.3(4) 1_545 1_545 1_545 no CL1 C1 H5 55.5(4) 1_545 1_545 1_545 no CL1 C1 H6 46.3(4) 1_545 1_545 1_545 no CL1 C1 H6 117.2(4) 1_545 1_545 1_545 no CL1 C1 H10 96.6(3) 1_545 1_545 1_545 no CL1 C1 H10 34.4(4) 1_545 1_545 1_545 no CL1 C1 H10 155.0(4) 1_545 1_545 1_545 no CL1 C1 O1 78.07(13) 2_646 2_646 2_646 ? CL1 C1 N1 159.57(12) 2_646 2_646 2_646 ? CL1 C1 N2 44.73(11) 2_646 2_646 2_646 ? CL1 C1 N2 59.00(4) 2_646 2_646 2_646 ? CL1 C1 N2 59.00(4) 2_646 2_646 2_646 ? CL1 C1 C2 72.07(7) 2_646 2_646 2_646 ? CL1 C1 C3 101.57(7) 2_646 2_646 2_646 ? CL1 C1 C4 131.16(8) 2_646 2_646 2_646 ? CL1 C1 C5 143.59(7) 2_646 2_646 2_646 ? CL1 C1 C6 58.76(6) 2_646 2_646 2_646 ? CL1 C1 C7 167.62(9) 2_646 2_646 2_646 ? CL1 C1 C8 151.48(6) 2_646 2_646 2_646 ? CL1 C1 C8 151.48(6) 2_646 2_646 2_646 ? CL1 C1 H1 102.3(3) 2_646 2_646 2_646 no CL1 C1 H1 52.5(3) 2_646 2_646 2_646 no CL1 C1 H2 89.7(4) 2_646 2_646 2_646 no CL1 C1 H3 150.1(3) 2_646 2_646 2_646 no CL1 C1 H3 150.1(3) 2_646 2_646 2_646 no CL1 C1 H5 49.5(4) 2_646 2_646 2_646 no CL1 C1 H5 49.5(4) 2_646 2_646 2_646 no CL1 C1 H5 82.2(4) 2_646 2_646 2_646 no CL1 C1 H5 82.2(4) 2_646 2_646 2_646 no CL1 C1 H6 139.6(4) 2_646 2_646 2_646 no CL1 C1 H6 139.6(4) 2_646 2_646 2_646 no CL1 C1 H10 19.8(9) 2_646 2_646 2_646 no CL1 C1 H10 70.4(4) 2_646 2_646 2_646 no CL1 C1 H10 70.4(4) 2_646 2_646 2_646 no O1 C1 N1 122.4(2) . . . ? O1 C1 N2 122.8(2) . . . ? O1 C1 N2 85.67(8) . . . ? O1 C1 N2 85.67(8) . . . ? O1 C1 C2 150.1(2) . . . ? O1 C1 C3 179.6(2) . . . ? O1 C1 C4 150.8(2) . . . ? O1 C1 C5 138.3(2) . . . ? O1 C1 C6 136.8(2) . . . ? O1 C1 C7 89.6(1) . . . ? O1 C1 C8 83.37(12) . . . ? O1 C1 C8 83.37(12) . . . ? O1 C1 H1 179.7(4) . . . no O1 C1 H1 25.6(3) . . . no O1 C1 H2 11.7(4) . . . no O1 C1 H3 129.2(4) . . . no O1 C1 H3 129.2(4) . . . no O1 C1 H5 126.2(4) . . . no O1 C1 H5 126.2(4) . . . no O1 C1 H5 55.3(4) . . . no O1 C1 H5 55.3(4) . . . no O1 C1 H6 88.1(3) . . . no O1 C1 H6 88.1(3) . . . no O1 C1 H10 97.9(9) . . . no O1 C1 H10 92.9(5) . . . no O1 C1 H10 92.9(5) . . . no N1 C1 N2 114.8(2) . . . ? N1 C1 N2 118.14(5) . . . ? N1 C1 N2 118.14(5) . . . ? N1 C1 C2 87.50(12) . . . ? N1 C1 C3 58.00(10) . . . ? N1 C1 C4 28.41(8) . . . ? N1 C1 C5 15.98(9) . . . ? N1 C1 C6 100.81(11) . . . ? N1 C1 C7 32.81(9) . . . ? N1 C1 C8 44.16(8) . . . ? N1 C1 C8 44.16(8) . . . ? N1 C1 H1 57.3(3) . . . no N1 C1 H1 147.9(3) . . . no N1 C1 H2 110.7(4) . . . no N1 C1 H3 13.1(4) . . . no N1 C1 H3 13.1(4) . . . no N1 C1 H5 110.5(4) . . . no N1 C1 H5 110.5(4) . . . no N1 C1 H5 108.7(4) . . . no N1 C1 H5 108.7(4) . . . no N1 C1 H6 49.8(3) . . . no N1 C1 H6 49.8(3) . . . no N1 C1 H10 139.7(9) . . . no N1 C1 H10 105.8(5) . . . no N1 C1 H10 105.8(5) . . . no N2 C1 N2 67.16(5) . . . ? N2 C1 N2 67.16(5) . . . ? N2 C1 C2 27.34(10) . . . ? N2 C1 C3 56.84(11) . . . ? N2 C1 C4 86.43(13) . . . ? N2 C1 C5 98.86(13) . . . ? N2 C1 C6 14.03(11) . . . ? N2 C1 C7 147.6(2) . . . ? N2 C1 C8 146.92(11) . . . ? N2 C1 C8 146.92(11) . . . ? N2 C1 H1 57.5(3) . . . no N2 C1 H1 97.2(3) . . . no N2 C1 H2 134.5(4) . . . no N2 C1 H3 106.9(4) . . . no N2 C1 H3 106.9(4) . . . no N2 C1 H5 10.6(4) . . . no N2 C1 H5 10.6(4) . . . no N2 C1 H5 107.0(4) . . . no N2 C1 H5 107.0(4) . . . no N2 C1 H6 132.6(4) . . . no N2 C1 H6 132.6(4) . . . no N2 C1 H10 24.9(9) . . . no N2 C1 H10 71.1(4) . . . no N2 C1 H10 71.1(4) . . . no N2 C1 N2 117.86(7) 2_646 2_646 2_646 ? N2 C1 C2 79.13(5) 2_646 2_646 2_646 ? N2 C1 C3 94.15(5) 2_646 2_646 2_646 ? N2 C1 C4 108.37(5) 2_646 2_646 2_646 ? N2 C1 C5 113.31(4) 2_646 2_646 2_646 ? N2 C1 C6 72.89(4) 2_646 2_646 2_646 ? N2 C1 C7 120.66(4) 2_646 2_646 2_646 ? N2 C1 C8 98.43(5) 2_646 2_646 2_646 ? N2 C1 C8 141.06(6) 2_646 2_646 2_646 ? N2 C1 H1 94.5(2) 2_646 2_646 2_646 no N2 C1 H1 73.2(2) 2_646 2_646 2_646 no N2 C1 H2 91.7(2) 2_646 2_646 2_646 no N2 C1 H3 105.9(4) 2_646 2_646 2_646 no N2 C1 H3 126.2(4) 2_646 2_646 2_646 no N2 C1 H5 59.7(4) 2_646 2_646 2_646 no N2 C1 H5 77.7(4) 2_646 2_646 2_646 no N2 C1 H5 130.6(4) 2_646 2_646 2_646 no N2 C1 H5 40.8(4) 2_646 2_646 2_646 no N2 C1 H6 82.4(4) 2_646 2_646 2_646 no N2 C1 H6 158.2(4) 2_646 2_646 2_646 no N2 C1 H10 60.3(1) 2_646 2_646 2_646 no N2 C1 H10 12.4(4) 2_646 2_646 2_646 no N2 C1 H10 128.5(4) 2_646 2_646 2_646 no N2 C1 C2 79.13(5) 2_656 2_656 2_656 ? N2 C1 C3 94.15(5) 2_656 2_656 2_656 ? N2 C1 C4 108.37(5) 2_656 2_656 2_656 ? N2 C1 C5 113.31(4) 2_656 2_656 2_656 ? N2 C1 C6 72.89(4) 2_656 2_656 2_656 ? N2 C1 C7 120.66(4) 2_656 2_656 2_656 ? N2 C1 C8 141.06(6) 2_656 2_656 2_656 ? N2 C1 C8 98.43(5) 2_656 2_656 2_656 ? N2 C1 H1 94.5(2) 2_656 2_656 2_656 no N2 C1 H1 73.2(2) 2_656 2_656 2_656 no N2 C1 H2 91.7(2) 2_656 2_656 2_656 no N2 C1 H3 126.2(4) 2_656 2_656 2_656 no N2 C1 H3 105.9(4) 2_656 2_656 2_656 no N2 C1 H5 77.7(4) 2_656 2_656 2_656 no N2 C1 H5 59.7(4) 2_656 2_656 2_656 no N2 C1 H5 40.8(4) 2_656 2_656 2_656 no N2 C1 H5 130.6(4) 2_656 2_656 2_656 no N2 C1 H6 158.2(4) 2_656 2_656 2_656 no N2 C1 H6 82.4(4) 2_656 2_656 2_656 no N2 C1 H10 60.3(1) 2_656 2_656 2_656 no N2 C1 H10 128.5(4) 2_656 2_656 2_656 no N2 C1 H10 12.4(4) 2_656 2_656 2_656 no C2 C1 C3 29.50(7) . . . ? C2 C1 C4 59.09(8) . . . ? C2 C1 C5 71.51(8) . . . ? C2 C1 C6 13.31(7) . . . ? C2 C1 C7 120.30(11) . . . ? C2 C1 C8 124.01(9) . . . ? C2 C1 C8 124.01(9) . . . ? C2 C1 H1 30.2(3) . . . no C2 C1 H1 124.6(3) . . . no C2 C1 H2 161.8(4) . . . no C2 C1 H3 80.0(4) . . . no C2 C1 H3 80.0(4) . . . no C2 C1 H5 25.2(4) . . . no C2 C1 H5 25.2(4) . . . no C2 C1 H5 118.9(4) . . . no C2 C1 H5 118.9(4) . . . no C2 C1 H6 114.8(3) . . . no C2 C1 H6 114.8(3) . . . no C2 C1 H10 52.3(9) . . . no C2 C1 H10 77.3(4) . . . no C2 C1 H10 77.3(4) . . . no C3 C1 C4 29.59(7) . . . ? C3 C1 C5 42.02(7) . . . ? C3 C1 C6 42.81(7) . . . ? C3 C1 C7 90.81(9) . . . ? C3 C1 C8 96.96(8) . . . ? C3 C1 C8 96.96(8) . . . ? C3 C1 H1 0.7(3) . . . no C3 C1 H1 154.1(3) . . . no C3 C1 H2 168.7(4) . . . no C3 C1 H3 51.1(4) . . . no C3 C1 H3 51.1(4) . . . no C3 C1 H5 53.5(4) . . . no C3 C1 H5 53.5(4) . . . no C3 C1 H5 124.7(4) . . . no C3 C1 H5 124.7(4) . . . no C3 C1 H6 92.2(3) . . . no C3 C1 H6 92.2(3) . . . no C3 C1 H10 81.7(9) . . . no C3 C1 H10 87.0(5) . . . no C3 C1 H10 87.0(5) . . . no C4 C1 C5 12.42(6) . . . ? C4 C1 C6 72.40(8) . . . ? C4 C1 C7 61.21(8) . . . ? C4 C1 C8 69.53(7) . . . ? C4 C1 C8 69.53(7) . . . ? C4 C1 H1 28.9(3) . . . no C4 C1 H1 176.3(3) . . . no C4 C1 H2 139.1(4) . . . no C4 C1 H3 23.2(4) . . . no C4 C1 H3 23.2(4) . . . no C4 C1 H5 82.5(4) . . . no C4 C1 H5 82.5(4) . . . no C4 C1 H5 120.4(4) . . . no C4 C1 H5 120.4(4) . . . no C4 C1 H6 69.2(3) . . . no C4 C1 H6 69.2(3) . . . no C4 C1 H10 111.3(9) . . . no C4 C1 H10 97.4(5) . . . no C4 C1 H10 97.4(5) . . . no C5 C1 C6 84.82(8) . . . ? C5 C1 C7 48.79(7) . . . ? C5 C1 C8 58.21(6) . . . ? C5 C1 C8 58.21(6) . . . ? C5 C1 H1 41.3(3) . . . no C5 C1 H1 163.9(3) . . . no C5 C1 H2 126.7(4) . . . no C5 C1 H3 13.5(3) . . . no C5 C1 H3 13.5(3) . . . no C5 C1 H5 94.8(4) . . . no C5 C1 H5 94.8(4) . . . no C5 C1 H5 116.0(4) . . . no C5 C1 H5 116.0(4) . . . no C5 C1 H6 60.2(3) . . . no C5 C1 H6 60.2(3) . . . no C5 C1 H10 123.8(9) . . . no C5 C1 H10 101.4(5) . . . no C5 C1 H10 101.4(5) . . . no C6 C1 C7 133.61(10) . . . ? C6 C1 C8 135.67(8) . . . ? C6 C1 C8 135.67(8) . . . ? C6 C1 H1 43.5(3) . . . no C6 C1 H1 111.3(3) . . . no C6 C1 H2 148.5(4) . . . no C6 C1 H3 93.1(4) . . . no C6 C1 H3 93.1(4) . . . no C6 C1 H5 14.0(4) . . . no C6 C1 H5 14.0(4) . . . no C6 C1 H5 113.7(4) . . . no C6 C1 H5 113.7(4) . . . no C6 C1 H6 124.1(3) . . . no C6 C1 H6 124.1(3) . . . no C6 C1 H10 38.9(9) . . . no C6 C1 H10 73.8(4) . . . no C6 C1 H10 73.8(4) . . . no C7 C1 C8 22.58(4) . . . ? C7 C1 C8 22.58(4) . . . ? C7 C1 H1 90.1(3) . . . no C7 C1 H1 115.1(3) . . . no C7 C1 H2 77.9(4) . . . no C7 C1 H3 41.6(3) . . . no C7 C1 H3 41.6(3) . . . no C7 C1 H5 142.5(4) . . . no C7 C1 H5 142.5(4) . . . no C7 C1 H5 90.9(4) . . . no C7 C1 H5 90.9(4) . . . no C7 C1 H6 38.3(4) . . . no C7 C1 H6 38.3(4) . . . no C7 C1 H10 172.6(9) . . . no C7 C1 H10 110.7(4) . . . no C7 C1 H10 110.7(4) . . . no C8 C1 C8 43.24(8) . . . ? C8 C1 H1 96.3(3) . . . no C8 C1 H1 107.1(3) . . . no C8 C1 H2 72.6(4) . . . no C8 C1 H3 46.4(3) . . . no C8 C1 H3 56.4(3) . . . no C8 C1 H5 137.2(4) . . . no C8 C1 H5 149.2(4) . . . no C8 C1 H5 104.8(4) . . . no C8 C1 H5 69.5(4) . . . no C8 C1 H6 17.1(4) . . . no C8 C1 H6 60.0(4) . . . no C8 C1 H10 158.37(5) . . . no C8 C1 H10 89.3(4) . . . no C8 C1 H10 132.6(4) . . . no C8 C1 H1 96.3(3) 4 4 4 no C8 C1 H1 107.1(3) 4 4 4 no C8 C1 H2 72.6(4) 4 4 4 no C8 C1 H3 56.4(3) 4 4 4 no C8 C1 H3 46.4(3) 4 4 4 no C8 C1 H5 149.2(4) 4 4 4 no C8 C1 H5 137.2(4) 4 4 4 no C8 C1 H5 69.5(4) 4 4 4 no C8 C1 H5 104.8(4) 4 4 4 no C8 C1 H6 60.0(4) 4 4 4 no C8 C1 H6 17.1(4) 4 4 4 no C8 C1 H10 158.37(5) 4 4 4 no C8 C1 H10 132.6(4) 4 4 4 no C8 C1 H10 89.3(4) 4 4 4 no H1 C1 H1 154.8(6) . . . no H1 C1 H2 168.0(5) . . . no H1 C1 H3 50.5(5) . . . no H1 C1 H3 50.5(5) . . . no H1 C1 H5 54.1(5) . . . no H1 C1 H5 54.1(5) . . . no H1 C1 H5 124.7(4) . . . no H1 C1 H5 124.7(4) . . . no H1 C1 H6 91.6(4) . . . no H1 C1 H6 91.6(4) . . . no H1 C1 H10 82.4(9) . . . no H1 C1 H10 87.3(5) . . . no H1 C1 H10 87.3(5) . . . no H1 C1 H2 37.3(5) 1_455 1_455 1_455 no H1 C1 H3 153.5(5) 1_455 1_455 1_455 no H1 C1 H3 153.5(5) 1_455 1_455 1_455 no H1 C1 H5 101.1(5) 1_455 1_455 1_455 no H1 C1 H5 101.1(5) 1_455 1_455 1_455 no H1 C1 H5 58.6(4) 1_455 1_455 1_455 no H1 C1 H5 58.6(4) 1_455 1_455 1_455 no H1 C1 H6 108.0(4) 1_455 1_455 1_455 no H1 C1 H6 108.0(4) 1_455 1_455 1_455 no H1 C1 H10 72.3(9) 1_455 1_455 1_455 no H1 C1 H10 83.8(5) 1_455 1_455 1_455 no H1 C1 H10 83.8(5) 1_455 1_455 1_455 no H2 C1 H3 117.8(5) 1_455 1_455 1_455 no H2 C1 H3 117.8(5) 1_455 1_455 1_455 no H2 C1 H5 137.5(6) 1_455 1_455 1_455 no H2 C1 H5 137.5(6) 1_455 1_455 1_455 no H2 C1 H5 56.4(4) 1_455 1_455 1_455 no H2 C1 H5 56.4(4) 1_455 1_455 1_455 no H2 C1 H6 79.0(4) 1_455 1_455 1_455 no H2 C1 H6 79.0(4) 1_455 1_455 1_455 no H2 C1 H10 109.6(10) 1_455 1_455 1_455 no H2 C1 H10 96.9(5) 1_455 1_455 1_455 no H2 C1 H10 96.9(5) 1_455 1_455 1_455 no H3 C1 H3 21.3(7) . . . no H3 C1 H5 100.9(5) . . . no H3 C1 H5 104.6(5) . . . no H3 C1 H5 121.7(5) . . . no H3 C1 H5 102.9(6) . . . no H3 C1 H6 46.8(5) . . . no H3 C1 H6 62.9(5) . . . no H3 C1 H10 131.2(9) . . . no H3 C1 H10 93.6(6) . . . no H3 C1 H10 114.0(6) . . . no H3 C1 H5 104.6(5) 4 4 4 no H3 C1 H5 100.9(5) 4 4 4 no H3 C1 H5 102.9(6) 4 4 4 no H3 C1 H5 121.7(5) 4 4 4 no H3 C1 H6 62.9(5) 4 4 4 no H3 C1 H6 46.8(5) 4 4 4 no H3 C1 H10 131.2(9) 4 4 4 no H3 C1 H10 114.0(6) 4 4 4 no H3 C1 H10 93.6(6) 4 4 4 no H5 C1 H5 19.6(8) . . . no H5 C1 H5 117.4(5) . . . no H5 C1 H5 100.4(5) . . . no H5 C1 H6 122.2(5) . . . no H5 C1 H6 138.0(5) . . . no H5 C1 H10 30.4(9) . . . no H5 C1 H10 62.1(5) . . . no H5 C1 H10 81.4(5) . . . no H5 C1 H5 100.4(5) 4 4 4 no H5 C1 H5 117.4(5) 4 4 4 no H5 C1 H6 138.0(5) 4 4 4 no H5 C1 H6 122.2(5) 4 4 4 no H5 C1 H10 30.4(9) 4 4 4 no H5 C1 H10 81.4(5) 4 4 4 no H5 C1 H10 62.1(5) 4 4 4 no H5 C1 H5 110.6(8) 2_656 2_656 2_656 no H5 C1 H6 120.4(6) 2_656 2_656 2_656 no H5 C1 H6 59.2(5) 2_656 2_656 2_656 no H5 C1 H10 93.4(6) 2_656 2_656 2_656 no H5 C1 H10 142.1(7) 2_656 2_656 2_656 no H5 C1 H10 41.7(6) 2_656 2_656 2_656 no H5 C1 H6 59.2(5) 3_656 3_656 3_656 no H5 C1 H6 120.4(6) 3_656 3_656 3_656 no H5 C1 H10 93.4(6) 3_656 3_656 3_656 no H5 C1 H10 41.7(6) 3_656 3_656 3_656 no H5 C1 H10 142.1(7) 3_656 3_656 3_656 no H6 C1 H6 76.5(8) . . . no H6 C1 H10 141.4(4) . . . no H6 C1 H10 72.6(5) . . . no H6 C1 H10 149.0(6) . . . no H6 C1 H10 141.4(4) 4 4 4 no H6 C1 H10 149.0(6) 4 4 4 no H6 C1 H10 72.6(5) 4 4 4 no H10 C1 H10 69.1(4) . . . no H10 C1 H10 69.1(4) . . . no H10 C1 H10 138.1(8) 2_646 2_646 2_646 no CL1 C2 CL1 119.41(5) . . . ? CL1 C2 CL1 98.28(3) . . . ? CL1 C2 O1 69.05(3) . . . ? CL1 C2 O1 161.23(6) . . . ? CL1 C2 O1 57.57(2) . . . ? CL1 C2 N1 59.79(3) . . . ? CL1 C2 N2 76.72(6) . . . ? CL1 C2 C1 65.57(3) . . . ? CL1 C2 C3 73.58(5) . . . ? CL1 C2 C4 62.97(3) . . . ? CL1 C2 C5 65.97(3) . . . ? CL1 C2 C6 120.30(3) . . . ? CL1 C2 H1 84.1(3) . . . no CL1 C2 H1 154.3(3) . . . no CL1 C2 H1 51.6(3) . . . no CL1 C2 H2 70.5(2) . . . no CL1 C2 H4 117.3(2) . . . no CL1 C2 H5 137.4(7) . . . no CL1 C2 H5 99.8(7) . . . no CL1 C2 H10 87.8(4) . . . no CL1 C2 H10 131.2(4) . . . no CL1 C2 H10 32.1(4) . . . no CL1 C2 CL1 98.28(3) 1_545 1_545 1_545 ? CL1 C2 O1 69.05(3) 1_545 1_545 1_545 ? CL1 C2 O1 57.57(2) 1_545 1_545 1_545 ? CL1 C2 O1 161.23(6) 1_545 1_545 1_545 ? CL1 C2 N1 59.79(3) 1_545 1_545 1_545 ? CL1 C2 N2 76.72(6) 1_545 1_545 1_545 ? CL1 C2 C1 65.57(3) 1_545 1_545 1_545 ? CL1 C2 C3 73.58(5) 1_545 1_545 1_545 ? CL1 C2 C4 62.97(3) 1_545 1_545 1_545 ? CL1 C2 C5 65.97(3) 1_545 1_545 1_545 ? CL1 C2 C6 120.30(3) 1_545 1_545 1_545 ? CL1 C2 H1 84.1(3) 1_545 1_545 1_545 no CL1 C2 H1 51.6(3) 1_545 1_545 1_545 no CL1 C2 H1 154.3(3) 1_545 1_545 1_545 no CL1 C2 H2 70.5(2) 1_545 1_545 1_545 no CL1 C2 H4 117.3(2) 1_545 1_545 1_545 no CL1 C2 H5 99.8(7) 1_545 1_545 1_545 no CL1 C2 H5 137.4(7) 1_545 1_545 1_545 no CL1 C2 H10 87.8(4) 1_545 1_545 1_545 no CL1 C2 H10 32.1(4) 1_545 1_545 1_545 no CL1 C2 H10 131.2(4) 1_545 1_545 1_545 no CL1 C2 O1 61.73(5) 2_646 2_646 2_646 ? CL1 C2 O1 65.52(4) 2_646 2_646 2_646 ? CL1 C2 O1 65.52(4) 2_646 2_646 2_646 ? CL1 C2 N1 102.36(6) 2_646 2_646 2_646 ? CL1 C2 N2 43.67(11) 2_646 2_646 2_646 ? CL1 C2 C1 71.64(7) 2_646 2_646 2_646 ? CL1 C2 C3 162.49(12) 2_646 2_646 2_646 ? CL1 C2 C4 132.32(8) 2_646 2_646 2_646 ? CL1 C2 C5 142.75(7) 2_646 2_646 2_646 ? CL1 C2 C6 73.3(1) 2_646 2_646 2_646 ? CL1 C2 H1 175.1(6) 2_646 2_646 2_646 no CL1 C2 H1 106.7(3) 2_646 2_646 2_646 no CL1 C2 H1 106.7(3) 2_646 2_646 2_646 no CL1 C2 H2 155.2(4) 2_646 2_646 2_646 no CL1 C2 H4 98.1(8) 2_646 2_646 2_646 no CL1 C2 H5 57.6(7) 2_646 2_646 2_646 no CL1 C2 H5 57.6(7) 2_646 2_646 2_646 no CL1 C2 H10 21.0(8) 2_646 2_646 2_646 no CL1 C2 H10 67.7(4) 2_646 2_646 2_646 no CL1 C2 H10 67.7(4) 2_646 2_646 2_646 no O1 C2 O1 93.96(4) . . . ? O1 C2 O1 93.96(4) . . . ? O1 C2 N1 40.63(5) . . . ? O1 C2 N2 18.06(10) . . . ? O1 C2 C1 9.91(6) . . . ? O1 C2 C3 100.76(12) . . . ? O1 C2 C4 70.59(7) . . . ? O1 C2 C5 81.02(7) . . . ? O1 C2 C6 135.0(2) . . . ? O1 C2 H1 123.2(6) . . . no O1 C2 H1 117.8(3) . . . no O1 C2 H1 117.8(3) . . . no O1 C2 H2 93.5(5) . . . no O1 C2 H4 159.9(8) . . . no O1 C2 H5 115.6(7) . . . no O1 C2 H5 115.6(7) . . . no O1 C2 H10 40.7(8) . . . no O1 C2 H10 63.1(4) . . . no O1 C2 H10 63.1(4) . . . no O1 C2 O1 118.37(7) 2_646 2_646 2_646 ? O1 C2 N1 112.51(4) 2_646 2_646 2_646 ? O1 C2 N2 84.74(7) 2_646 2_646 2_646 ? O1 C2 C1 98.94(5) 2_646 2_646 2_646 ? O1 C2 C3 119.06(4) 2_646 2_646 2_646 ? O1 C2 C4 120.11(3) 2_646 2_646 2_646 ? O1 C2 C5 120.81(3) 2_646 2_646 2_646 ? O1 C2 C6 65.95(6) 2_646 2_646 2_646 ? O1 C2 H1 112.8(2) 2_646 2_646 2_646 no O1 C2 H1 41.3(3) 2_646 2_646 2_646 no O1 C2 H1 139.8(3) 2_646 2_646 2_646 no O1 C2 H2 120.16(6) 2_646 2_646 2_646 no O1 C2 H4 76.1(4) 2_646 2_646 2_646 no O1 C2 H5 42.4(7) 2_646 2_646 2_646 no O1 C2 H5 80.0(7) 2_646 2_646 2_646 no O1 C2 H10 73.8(3) 2_646 2_646 2_646 no O1 C2 H10 35.6(4) 2_646 2_646 2_646 no O1 C2 H10 133.2(4) 2_646 2_646 2_646 no O1 C2 N1 112.51(4) 2_656 2_656 2_656 ? O1 C2 N2 84.74(7) 2_656 2_656 2_656 ? O1 C2 C1 98.94(5) 2_656 2_656 2_656 ? O1 C2 C3 119.06(4) 2_656 2_656 2_656 ? O1 C2 C4 120.11(3) 2_656 2_656 2_656 ? O1 C2 C5 120.81(3) 2_656 2_656 2_656 ? O1 C2 C6 65.95(6) 2_656 2_656 2_656 ? O1 C2 H1 112.8(2) 2_656 2_656 2_656 no O1 C2 H1 139.8(3) 2_656 2_656 2_656 no O1 C2 H1 41.3(3) 2_656 2_656 2_656 no O1 C2 H2 120.16(6) 2_656 2_656 2_656 no O1 C2 H4 76.1(4) 2_656 2_656 2_656 no O1 C2 H5 80.0(7) 2_656 2_656 2_656 no O1 C2 H5 42.4(7) 2_656 2_656 2_656 no O1 C2 H10 73.8(3) 2_656 2_656 2_656 no O1 C2 H10 133.2(4) 2_656 2_656 2_656 no O1 C2 H10 35.6(4) 2_656 2_656 2_656 no N1 C2 N2 58.69(11) . . . ? N1 C2 C1 30.72(6) . . . ? N1 C2 C3 60.13(11) . . . ? N1 C2 C4 29.95(6) . . . ? N1 C2 C5 40.38(6) . . . ? N1 C2 C6 175.7(2) . . . ? N1 C2 H1 82.5(6) . . . no N1 C2 H1 107.7(3) . . . no N1 C2 H1 107.7(3) . . . no N1 C2 H2 52.9(5) . . . no N1 C2 H4 159.5(8) . . . no N1 C2 H5 151.0(7) . . . no N1 C2 H5 151.0(7) . . . no N1 C2 H10 81.4(8) . . . no N1 C2 H10 77.3(4) . . . no N1 C2 H10 77.3(4) . . . no N2 C2 C1 27.97(11) . . . ? N2 C2 C3 118.8(2) . . . ? N2 C2 C4 88.65(13) . . . ? N2 C2 C5 99.08(13) . . . ? N2 C2 C6 117.0(2) . . . ? N2 C2 H1 141.2(6) . . . no N2 C2 H1 117.8(3) . . . no N2 C2 H1 117.8(3) . . . no N2 C2 H2 111.6(5) . . . no N2 C2 H4 141.8(8) . . . no N2 C2 H5 98.6(7) . . . no N2 C2 H5 98.6(7) . . . no N2 C2 H10 22.7(8) . . . no N2 C2 H10 60.8(4) . . . no N2 C2 H10 60.8(4) . . . no C1 C2 C3 90.85(13) . . . ? C1 C2 C4 60.67(8) . . . ? C1 C2 C5 71.10(8) . . . ? C1 C2 C6 144.9(2) . . . ? C1 C2 H1 113.3(6) . . . no C1 C2 H1 116.5(3) . . . no C1 C2 H1 116.5(3) . . . no C1 C2 H2 83.6(5) . . . no C1 C2 H4 169.8(8) . . . no C1 C2 H5 124.7(7) . . . no C1 C2 H5 124.7(7) . . . no C1 C2 H10 50.7(8) . . . no C1 C2 H10 65.6(4) . . . no C1 C2 H10 65.6(4) . . . no C3 C2 C4 30.18(10) . . . ? C3 C2 C5 19.75(10) . . . ? C3 C2 C6 124.2(2) . . . ? C3 C2 H1 22.4(6) . . . no C3 C2 H1 80.7(3) . . . no C3 C2 H1 80.7(3) . . . no C3 C2 H2 7.3(5) . . . no C3 C2 H4 99.4(8) . . . no C3 C2 H5 138.2(7) . . . no C3 C2 H5 138.2(7) . . . no C3 C2 H10 141.5(8) . . . no C3 C2 H10 105.6(4) . . . no C3 C2 H10 105.6(4) . . . no C4 C2 C5 10.43(6) . . . ? C4 C2 C6 154.4(2) . . . ? C4 C2 H1 52.6(6) . . . no C4 C2 H1 94.8(3) . . . no C4 C2 H1 94.8(3) . . . no C4 C2 H2 22.9(4) . . . no C4 C2 H4 129.5(8) . . . no C4 C2 H5 159.4(7) . . . no C4 C2 H5 159.4(7) . . . no C4 C2 H10 111.3(8) . . . no C4 C2 H10 91.6(4) . . . no C4 C2 H10 91.6(4) . . . no C5 C2 C6 144.0(2) . . . ? C5 C2 H1 42.2(6) . . . no C5 C2 H1 89.9(3) . . . no C5 C2 H1 89.9(3) . . . no C5 C2 H2 12.5(4) . . . no C5 C2 H4 119.1(8) . . . no C5 C2 H5 153.8(7) . . . no C5 C2 H5 153.8(7) . . . no C5 C2 H10 121.8(8) . . . no C5 C2 H10 96.6(4) . . . no C5 C2 H10 96.6(4) . . . no C6 C2 H1 101.8(6) . . . no C6 C2 H1 74.0(3) . . . no C6 C2 H1 74.0(3) . . . no C6 C2 H2 131.5(5) . . . no C6 C2 H4 24.8(8) . . . no C6 C2 H5 26.0(7) . . . no C6 C2 H5 26.0(7) . . . no C6 C2 H10 94.3(8) . . . no C6 C2 H10 100.8(4) . . . no C6 C2 H10 100.8(4) . . . no H1 C2 H1 71.4(4) . . . no H1 C2 H1 71.4(4) . . . no H1 C2 H2 29.7(8) . . . no H1 C2 H4 77.0(11) . . . no H1 C2 H5 117.9(9) . . . no H1 C2 H5 117.9(9) . . . no H1 C2 H10 163.9(10) . . . no H1 C2 H10 113.9(5) . . . no H1 C2 H10 113.9(5) . . . no H1 C2 H1 123.7(6) 2_746 2_746 2_746 no H1 C2 H2 84.0(4) 2_746 2_746 2_746 no H1 C2 H4 65.7(4) 2_746 2_746 2_746 no H1 C2 H5 64.7(8) 2_746 2_746 2_746 no H1 C2 H5 98.7(8) 2_746 2_746 2_746 no H1 C2 H10 113.7(4) 2_746 2_746 2_746 no H1 C2 H10 57.1(5) 2_746 2_746 2_746 no H1 C2 H10 173.5(5) 2_746 2_746 2_746 no H1 C2 H2 84.0(4) 2_756 2_756 2_756 no H1 C2 H4 65.7(4) 2_756 2_756 2_756 no H1 C2 H5 98.7(8) 2_756 2_756 2_756 no H1 C2 H5 64.7(8) 2_756 2_756 2_756 no H1 C2 H10 113.7(4) 2_756 2_756 2_756 no H1 C2 H10 173.5(5) 2_756 2_756 2_756 no H1 C2 H10 57.1(5) 2_756 2_756 2_756 no H2 C2 H4 106.6(10) . . . no H2 C2 H5 144.3(8) . . . no H2 C2 H5 144.3(8) . . . no H2 C2 H10 134.3(9) . . . no H2 C2 H10 102.4(5) . . . no H2 C2 H10 102.4(5) . . . no H4 C2 H5 46.0(9) . . . no H4 C2 H5 46.0(9) . . . no H4 C2 H10 119.1(11) . . . no H4 C2 H10 111.1(5) . . . no H4 C2 H10 111.1(5) . . . no H5 C2 H5 38.3(14) . . . no H5 C2 H10 77.2(10) . . . no H5 C2 H10 75.6(8) . . . no H5 C2 H10 108.8(8) . . . no H5 C2 H10 77.2(10) 4 4 4 no H5 C2 H10 108.8(8) 4 4 4 no H5 C2 H10 75.6(8) 4 4 4 no H10 C2 H10 62.3(4) . . . no H10 C2 H10 62.3(4) . . . no H10 C2 H10 121.4(7) 2_646 2_646 2_646 no CL1 C3 CL1 127.80(5) . . . ? CL1 C3 O1 65.83(3) . . . ? CL1 C3 O1 106.47(4) . . . ? CL1 C3 N1 64.22(3) . . . ? CL1 C3 N2 73.84(4) . . . ? CL1 C3 C1 65.81(3) . . . ? CL1 C3 C2 86.05(6) . . . ? CL1 C3 C4 69.93(4) . . . ? CL1 C3 C5 80.77(4) . . . ? CL1 C3 C6 98.73(5) . . . ? CL1 C3 C7 65.47(3) . . . ? CL1 C3 H1 113.7(3) . . . no CL1 C3 H1 164.8(3) . . . no CL1 C3 H1 52.5(3) . . . no CL1 C3 H2 89.1(3) . . . no CL1 C3 H3 91.1(5) . . . no CL1 C3 H3 66.1(5) . . . no CL1 C3 H4 106.4(3) . . . no CL1 C3 H4 155.0(4) . . . no CL1 C3 H4 43.2(5) . . . no CL1 C3 H5 106.7(5) . . . no CL1 C3 H5 84.9(5) . . . no CL1 C3 H10 76.6(2) . . . no CL1 C3 O1 65.83(3) 1_545 1_545 1_545 ? CL1 C3 O1 106.47(4) 1_545 1_545 1_545 ? CL1 C3 N1 64.22(3) 1_545 1_545 1_545 ? CL1 C3 N2 73.84(4) 1_545 1_545 1_545 ? CL1 C3 C1 65.81(3) 1_545 1_545 1_545 ? CL1 C3 C2 86.05(6) 1_545 1_545 1_545 ? CL1 C3 C4 69.93(4) 1_545 1_545 1_545 ? CL1 C3 C5 80.77(4) 1_545 1_545 1_545 ? CL1 C3 C6 98.73(5) 1_545 1_545 1_545 ? CL1 C3 C7 65.47(3) 1_545 1_545 1_545 ? CL1 C3 H1 113.7(3) 1_545 1_545 1_545 no CL1 C3 H1 52.5(3) 1_545 1_545 1_545 no CL1 C3 H1 164.8(3) 1_545 1_545 1_545 no CL1 C3 H2 89.1(3) 1_545 1_545 1_545 no CL1 C3 H3 66.1(5) 1_545 1_545 1_545 no CL1 C3 H3 91.1(5) 1_545 1_545 1_545 no CL1 C3 H4 106.4(3) 1_545 1_545 1_545 no CL1 C3 H4 43.2(5) 1_545 1_545 1_545 no CL1 C3 H4 155.0(4) 1_545 1_545 1_545 no CL1 C3 H5 84.9(5) 1_545 1_545 1_545 no CL1 C3 H5 106.7(5) 1_545 1_545 1_545 no CL1 C3 H10 76.6(2) 1_545 1_545 1_545 no O1 C3 O1 151.58(8) . . . ? O1 C3 N1 30.11(5) . . . ? O1 C3 N2 29.31(5) . . . ? O1 C3 C1 0.11(5) . . . ? O1 C3 C2 59.54(10) . . . ? O1 C3 C4 60.20(11) . . . ? O1 C3 C5 90.06(9) . . . ? O1 C3 C6 88.72(9) . . . ? O1 C3 C7 40.78(5) . . . ? O1 C3 H1 177.3(13) . . . no O1 C3 H1 106.4(4) . . . no O1 C3 H1 106.4(4) . . . no O1 C3 H2 109.3(7) . . . no O1 C3 H3 84.7(4) . . . no O1 C3 H3 84.7(4) . . . no O1 C3 H4 108.5(7) . . . no O1 C3 H4 108.7(5) . . . no O1 C3 H4 108.7(5) . . . no O1 C3 H5 82.0(4) . . . no O1 C3 H5 82.0(4) . . . no O1 C3 H10 36.8(5) . . . no O1 C3 N1 121.47(9) 1_655 1_655 1_655 ? O1 C3 N2 179.10(10) 1_655 1_655 1_655 ? O1 C3 C1 151.47(9) 1_655 1_655 1_655 ? O1 C3 C2 148.87(13) 1_655 1_655 1_655 ? O1 C3 C4 91.38(13) 1_655 1_655 1_655 ? O1 C3 C5 61.52(8) 1_655 1_655 1_655 ? O1 C3 C6 119.69(9) 1_655 1_655 1_655 ? O1 C3 C7 110.80(7) 1_655 1_655 1_655 ? O1 C3 H1 25.7(13) 1_655 1_655 1_655 no O1 C3 H1 86.4(4) 1_655 1_655 1_655 no O1 C3 H1 86.4(4) 1_655 1_655 1_655 no O1 C3 H2 42.3(7) 1_655 1_655 1_655 no O1 C3 H3 67.7(4) 1_655 1_655 1_655 no O1 C3 H3 67.7(4) 1_655 1_655 1_655 no O1 C3 H4 99.9(7) 1_655 1_655 1_655 no O1 C3 H4 66.0(4) 1_655 1_655 1_655 no O1 C3 H4 66.0(4) 1_655 1_655 1_655 no O1 C3 H5 125.6(4) 1_655 1_655 1_655 no O1 C3 H5 125.6(4) 1_655 1_655 1_655 no O1 C3 H10 171.6(5) 1_655 1_655 1_655 no N1 C3 N2 59.43(7) . . . ? N1 C3 C1 30.00(6) . . . ? N1 C3 C2 89.66(12) . . . ? N1 C3 C4 30.09(10) . . . ? N1 C3 C5 59.95(9) . . . ? N1 C3 C6 118.84(11) . . . ? N1 C3 C7 10.67(5) . . . ? N1 C3 H1 147.2(13) . . . no N1 C3 H1 116.1(3) . . . no N1 C3 H1 116.1(3) . . . no N1 C3 H2 79.2(7) . . . no N1 C3 H3 55.6(4) . . . no N1 C3 H3 55.6(4) . . . no N1 C3 H4 138.7(7) . . . no N1 C3 H4 98.4(5) . . . no N1 C3 H4 98.4(5) . . . no N1 C3 H5 111.4(5) . . . no N1 C3 H5 111.4(5) . . . no N1 C3 H10 66.9(5) . . . no N2 C3 C1 29.42(6) . . . ? N2 C3 C2 30.23(10) . . . ? N2 C3 C4 89.51(13) . . . ? N2 C3 C5 119.37(11) . . . ? N2 C3 C6 59.41(9) . . . ? N2 C3 C7 70.09(7) . . . ? N2 C3 H1 153.4(13) . . . no N2 C3 H1 93.1(4) . . . no N2 C3 H1 93.1(4) . . . no N2 C3 H2 138.6(7) . . . no N2 C3 H3 113.2(5) . . . no N2 C3 H3 113.2(5) . . . no N2 C3 H4 79.2(7) . . . no N2 C3 H4 114.1(4) . . . no N2 C3 H4 114.1(4) . . . no N2 C3 H5 53.5(4) . . . no N2 C3 H5 53.5(4) . . . no N2 C3 H10 7.5(5) . . . no C1 C3 C2 59.65(11) . . . ? C1 C3 C4 60.09(12) . . . ? C1 C3 C5 89.95(10) . . . ? C1 C3 C6 88.83(10) . . . ? C1 C3 C7 40.67(6) . . . ? C1 C3 H1 177.2(13) . . . no C1 C3 H1 106.4(4) . . . no C1 C3 H1 106.4(4) . . . no C1 C3 H2 109.2(7) . . . no C1 C3 H3 84.6(4) . . . no C1 C3 H3 84.6(4) . . . no C1 C3 H4 108.7(7) . . . no C1 C3 H4 108.7(5) . . . no C1 C3 H4 108.7(5) . . . no C1 C3 H5 82.1(4) . . . no C1 C3 H5 82.1(4) . . . no C1 C3 H10 36.9(5) . . . no C2 C3 C4 119.7(2) . . . ? C2 C3 C5 149.6(2) . . . ? C2 C3 C6 29.18(10) . . . ? C2 C3 C7 100.32(12) . . . ? C2 C3 H1 123.1(13) . . . no C2 C3 H1 78.8(3) . . . no C2 C3 H1 78.8(3) . . . no C2 C3 H2 168.9(7) . . . no C2 C3 H3 141.9(5) . . . no C2 C3 H3 141.9(5) . . . no C2 C3 H4 49.0(7) . . . no C2 C3 H4 112.9(4) . . . no C2 C3 H4 112.9(4) . . . no C2 C3 H5 25.2(4) . . . no C2 C3 H5 25.2(4) . . . no C2 C3 H10 22.7(5) . . . no C4 C3 C5 29.86(11) . . . ? C4 C3 C6 148.9(2) . . . ? C4 C3 C7 19.42(10) . . . ? C4 C3 H1 117.1(13) . . . no C4 C3 H1 118.6(3) . . . no C4 C3 H1 118.6(3) . . . no C4 C3 H2 49.1(7) . . . no C4 C3 H3 27.7(5) . . . no C4 C3 H3 27.7(5) . . . no C4 C3 H4 168.7(7) . . . no C4 C3 H4 86.1(5) . . . no C4 C3 H4 86.1(5) . . . no C4 C3 H5 140.4(5) . . . no C4 C3 H5 140.4(5) . . . no C4 C3 H10 97.0(5) . . . no C5 C3 C6 178.78(13) . . . ? C5 C3 C7 49.28(8) . . . ? C5 C3 H1 87.3(13) . . . no C5 C3 H1 113.0(3) . . . no C5 C3 H1 113.0(3) . . . no C5 C3 H2 19.2(7) . . . no C5 C3 H3 14.7(5) . . . no C5 C3 H3 14.7(5) . . . no C5 C3 H4 161.4(7) . . . no C5 C3 H4 74.8(4) . . . no C5 C3 H4 74.8(4) . . . no C5 C3 H5 165.5(5) . . . no C5 C3 H5 165.5(5) . . . no C5 C3 H10 126.9(5) . . . no C6 C3 C7 129.51(10) . . . ? C6 C3 H1 94.0(13) . . . no C6 C3 H1 67.4(3) . . . no C6 C3 H1 67.4(3) . . . no C6 C3 H2 162.0(7) . . . no C6 C3 H3 164.8(5) . . . no C6 C3 H3 164.8(5) . . . no C6 C3 H4 19.8(7) . . . no C6 C3 H4 105.6(4) . . . no C6 C3 H4 105.6(4) . . . no C6 C3 H5 13.9(5) . . . no C6 C3 H5 13.9(5) . . . no C6 C3 H10 51.9(5) . . . no C7 C3 H1 136.5(13) . . . no C7 C3 H1 117.9(3) . . . no C7 C3 H1 117.9(3) . . . no C7 C3 H2 68.5(7) . . . no C7 C3 H3 45.4(4) . . . no C7 C3 H3 45.4(4) . . . no C7 C3 H4 149.3(7) . . . no C7 C3 H4 94.1(5) . . . no C7 C3 H4 94.1(5) . . . no C7 C3 H5 121.8(5) . . . no C7 C3 H5 121.8(5) . . . no C7 C3 H10 77.6(5) . . . no H1 C3 H1 74.7(7) . . . no H1 C3 H1 74.7(7) . . . no H1 C3 H2 68.0(15) . . . no H1 C3 H3 92.7(13) . . . no H1 C3 H3 92.7(13) . . . no H1 C3 H4 74.1(15) . . . no H1 C3 H4 70.6(6) . . . no H1 C3 H4 70.6(6) . . . no H1 C3 H5 100.6(13) . . . no H1 C3 H5 100.6(13) . . . no H1 C3 H10 145.9(14) . . . no H1 C3 H1 122.4(6) 2_746 2_746 2_746 no H1 C3 H2 106.0(4) 2_746 2_746 2_746 no H1 C3 H3 101.4(5) 2_746 2_746 2_746 no H1 C3 H3 127.6(5) 2_746 2_746 2_746 no H1 C3 H4 62.6(3) 2_746 2_746 2_746 no H1 C3 H4 38.2(5) 2_746 2_746 2_746 no H1 C3 H4 144.1(6) 2_746 2_746 2_746 no H1 C3 H5 58.5(5) 2_746 2_746 2_746 no H1 C3 H5 81.1(6) 2_746 2_746 2_746 no H1 C3 H10 89.5(4) 2_746 2_746 2_746 no H1 C3 H2 106.0(4) 2_756 2_756 2_756 no H1 C3 H3 127.6(5) 2_756 2_756 2_756 no H1 C3 H3 101.4(5) 2_756 2_756 2_756 no H1 C3 H4 62.6(3) 2_756 2_756 2_756 no H1 C3 H4 144.1(6) 2_756 2_756 2_756 no H1 C3 H4 38.2(5) 2_756 2_756 2_756 no H1 C3 H5 81.1(6) 2_756 2_756 2_756 no H1 C3 H5 58.5(5) 2_756 2_756 2_756 no H1 C3 H10 89.5(4) 2_756 2_756 2_756 no H2 C3 H3 28.0(7) . . . no H2 C3 H3 28.0(7) . . . no H2 C3 H4 142.1(10) . . . no H2 C3 H4 69.3(4) . . . no H2 C3 H4 69.3(4) . . . no H2 C3 H5 163.6(6) . . . no H2 C3 H5 163.6(6) . . . no H2 C3 H10 146.1(8) . . . no H3 C3 H3 27.3(9) . . . no H3 C3 H4 161.2(6) . . . no H3 C3 H4 64.0(6) . . . no H3 C3 H4 89.5(6) . . . no H3 C3 H5 150.9(6) . . . no H3 C3 H5 166.7(6) . . . no H3 C3 H10 120.4(6) . . . no H3 C3 H4 161.2(6) 4 4 4 no H3 C3 H4 89.5(6) 4 4 4 no H3 C3 H4 64.0(6) 4 4 4 no H3 C3 H5 166.7(6) 4 4 4 no H3 C3 H5 150.9(6) 4 4 4 no H3 C3 H10 120.4(6) 4 4 4 no H4 C3 H4 98.4(5) . . . no H4 C3 H4 98.4(5) . . . no H4 C3 H5 29.1(7) . . . no H4 C3 H5 29.1(7) . . . no H4 C3 H10 71.7(8) . . . no H4 C3 H4 131.1(8) 2_746 2_746 2_746 no H4 C3 H5 96.2(6) 2_746 2_746 2_746 no H4 C3 H5 119.3(7) 2_746 2_746 2_746 no H4 C3 H10 114.4(4) 2_746 2_746 2_746 no H4 C3 H5 119.3(7) 2_756 2_756 2_756 no H4 C3 H5 96.2(6) 2_756 2_756 2_756 no H4 C3 H10 114.4(4) 2_756 2_756 2_756 no H5 C3 H5 24.2(9) . . . no H5 C3 H10 46.3(6) . . . no H5 C3 H10 46.3(6) 4 4 4 no CL1 C4 CL1 145.81(6) . . . ? CL1 C4 O1 73.45(3) . . . ? CL1 C4 O1 105.23(3) . . . ? CL1 C4 N1 75.86(4) . . . ? CL1 C4 N2 74.65(3) . . . ? CL1 C4 C1 72.96(3) . . . ? CL1 C4 C2 80.44(4) . . . ? CL1 C4 C3 88.73(5) . . . ? CL1 C4 C5 105.00(4) . . . ? CL1 C4 C6 82.98(4) . . . ? CL1 C4 C7 82.65(3) . . . ? CL1 C4 C8 104.65(6) . . . ? CL1 C4 C8 63.90(4) . . . ? CL1 C4 H1 95.8(2) . . . no CL1 C4 H2 107.04(4) . . . no CL1 C4 H3 123.3(7) . . . no CL1 C4 H3 81.2(7) . . . no CL1 C4 H4 86.59(13) . . . no CL1 C4 H4 160.6(4) . . . no CL1 C4 H4 43.4(4) . . . no CL1 C4 H6 119.6(4) . . . no CL1 C4 H6 47.2(4) . . . no CL1 C4 H10 74.56(6) . . . no CL1 C4 O1 73.45(3) 1_545 1_545 1_545 ? CL1 C4 O1 105.23(3) 1_545 1_545 1_545 ? CL1 C4 N1 75.86(4) 1_545 1_545 1_545 ? CL1 C4 N2 74.65(3) 1_545 1_545 1_545 ? CL1 C4 C1 72.96(3) 1_545 1_545 1_545 ? CL1 C4 C2 80.44(4) 1_545 1_545 1_545 ? CL1 C4 C3 88.73(5) 1_545 1_545 1_545 ? CL1 C4 C5 105.00(4) 1_545 1_545 1_545 ? CL1 C4 C6 82.98(4) 1_545 1_545 1_545 ? CL1 C4 C7 82.65(3) 1_545 1_545 1_545 ? CL1 C4 C8 63.90(4) 1_545 1_545 1_545 ? CL1 C4 C8 104.65(6) 1_545 1_545 1_545 ? CL1 C4 H1 95.8(2) 1_545 1_545 1_545 no CL1 C4 H2 107.04(4) 1_545 1_545 1_545 no CL1 C4 H3 81.2(7) 1_545 1_545 1_545 no CL1 C4 H3 123.3(7) 1_545 1_545 1_545 no CL1 C4 H4 86.59(13) 1_545 1_545 1_545 no CL1 C4 H4 43.4(4) 1_545 1_545 1_545 no CL1 C4 H4 160.6(4) 1_545 1_545 1_545 no CL1 C4 H6 47.2(4) 1_545 1_545 1_545 no CL1 C4 H6 119.6(4) 1_545 1_545 1_545 no CL1 C4 H10 74.56(6) 1_545 1_545 1_545 no O1 C4 O1 167.66(8) . . . ? O1 C4 N1 19.47(9) . . . ? O1 C4 N2 40.12(5) . . . ? O1 C4 C1 9.68(6) . . . ? O1 C4 C2 69.92(7) . . . ? O1 C4 C3 100.00(13) . . . ? O1 C4 C5 137.4(1) . . . ? O1 C4 C6 79.75(7) . . . ? O1 C4 C7 49.88(6) . . . ? O1 C4 C8 58.31(5) . . . ? O1 C4 C8 58.31(5) . . . ? O1 C4 H1 124.6(6) . . . no O1 C4 H2 161.4(8) . . . no O1 C4 H3 119.7(7) . . . no O1 C4 H3 119.7(7) . . . no O1 C4 H4 92.7(5) . . . no O1 C4 H4 115.8(4) . . . no O1 C4 H4 115.8(4) . . . no O1 C4 H6 61.0(3) . . . no O1 C4 H6 61.0(3) . . . no O1 C4 H10 39.4(4) . . . no O1 C4 N1 172.87(13) 1_655 1_655 1_655 ? O1 C4 N2 127.54(7) 1_655 1_655 1_655 ? O1 C4 C1 157.98(9) 1_655 1_655 1_655 ? O1 C4 C2 97.74(8) 1_655 1_655 1_655 ? O1 C4 C3 67.66(11) 1_655 1_655 1_655 ? O1 C4 C5 54.96(12) 1_655 1_655 1_655 ? O1 C4 C6 87.91(6) 1_655 1_655 1_655 ? O1 C4 C7 142.46(9) 1_655 1_655 1_655 ? O1 C4 C8 132.66(7) 1_655 1_655 1_655 ? O1 C4 C8 132.66(7) 1_655 1_655 1_655 ? O1 C4 H1 43.1(6) 1_655 1_655 1_655 no O1 C4 H2 31.0(8) 1_655 1_655 1_655 no O1 C4 H3 71.6(7) 1_655 1_655 1_655 no O1 C4 H3 71.6(7) 1_655 1_655 1_655 no O1 C4 H4 75.0(5) 1_655 1_655 1_655 no O1 C4 H4 61.8(4) 1_655 1_655 1_655 no O1 C4 H4 61.8(4) 1_655 1_655 1_655 no O1 C4 H6 127.4(3) 1_655 1_655 1_655 no O1 C4 H6 127.4(3) 1_655 1_655 1_655 no O1 C4 H10 128.2(4) 1_655 1_655 1_655 no N1 C4 N2 59.59(10) . . . ? N1 C4 C1 29.15(10) . . . ? N1 C4 C2 89.39(13) . . . ? N1 C4 C3 119.5(2) . . . ? N1 C4 C5 117.9(2) . . . ? N1 C4 C6 99.23(12) . . . ? N1 C4 C7 30.41(9) . . . ? N1 C4 C8 41.24(8) . . . ? N1 C4 C8 41.24(8) . . . ? N1 C4 H1 144.1(6) . . . no N1 C4 H2 141.9(8) . . . no N1 C4 H3 101.8(7) . . . no N1 C4 H3 101.8(7) . . . no N1 C4 H4 112.1(5) . . . no N1 C4 H4 118.9(4) . . . no N1 C4 H4 118.9(4) . . . no N1 C4 H6 48.3(3) . . . no N1 C4 H6 48.3(3) . . . no N1 C4 H10 58.9(4) . . . no N2 C4 C1 30.44(6) . . . ? N2 C4 C2 29.80(6) . . . ? N2 C4 C3 59.88(12) . . . ? N2 C4 C5 177.5(2) . . . ? N2 C4 C6 39.63(6) . . . ? N2 C4 C7 90.00(8) . . . ? N2 C4 C8 95.42(7) . . . ? N2 C4 C8 95.42(7) . . . ? N2 C4 H1 84.5(6) . . . no N2 C4 H2 158.5(8) . . . no N2 C4 H3 152.4(7) . . . no N2 C4 H3 152.4(7) . . . no N2 C4 H4 52.5(5) . . . no N2 C4 H4 101.2(4) . . . no N2 C4 H4 101.2(4) . . . no N2 C4 H6 91.7(3) . . . no N2 C4 H6 91.7(3) . . . no N2 C4 H10 0.7(4) . . . no C1 C4 C2 60.24(8) . . . ? C1 C4 C3 90.3(1) . . . ? C1 C4 C5 147.1(2) . . . ? C1 C4 C6 70.07(8) . . . ? C1 C4 C7 59.56(8) . . . ? C1 C4 C8 67.15(7) . . . ? C1 C4 C8 67.15(7) . . . ? C1 C4 H1 114.9(6) . . . no C1 C4 H2 171.0(8) . . . no C1 C4 H3 128.3(7) . . . no C1 C4 H3 128.3(7) . . . no C1 C4 H4 83.0(5) . . . no C1 C4 H4 113.2(4) . . . no C1 C4 H4 113.2(4) . . . no C1 C4 H6 68.0(3) . . . no C1 C4 H6 68.0(3) . . . no C1 C4 H10 29.8(4) . . . no C2 C4 C3 30.08(11) . . . ? C2 C4 C5 152.7(2) . . . ? C2 C4 C6 9.84(7) . . . ? C2 C4 C7 119.80(10) . . . ? C2 C4 C8 122.87(9) . . . ? C2 C4 C8 122.87(9) . . . ? C2 C4 H1 54.7(6) . . . no C2 C4 H2 128.7(8) . . . no C2 C4 H3 155.5(7) . . . no C2 C4 H3 155.5(7) . . . no C2 C4 H4 22.7(5) . . . no C2 C4 H4 86.9(4) . . . no C2 C4 H4 86.9(4) . . . no C2 C4 H6 114.7(3) . . . no C2 C4 H6 114.7(3) . . . no C2 C4 H10 30.5(4) . . . no C3 C4 C5 122.6(2) . . . ? C3 C4 C6 20.24(11) . . . ? C3 C4 C7 149.9(2) . . . ? C3 C4 C8 148.14(11) . . . ? C3 C4 C8 148.14(11) . . . ? C3 C4 H1 24.6(6) . . . no C3 C4 H2 98.7(8) . . . no C3 C4 H3 133.6(7) . . . no C3 C4 H3 133.6(7) . . . no C3 C4 H4 7.3(5) . . . no C3 C4 H4 73.2(4) . . . no C3 C4 H4 73.2(4) . . . no C3 C4 H6 134.2(4) . . . no C3 C4 H6 134.2(4) . . . no C3 C4 H10 60.6(4) . . . no C5 C4 C6 142.9(2) . . . ? C5 C4 C7 87.5(1) . . . ? C5 C4 C8 82.26(13) . . . ? C5 C4 C8 82.26(13) . . . ? C5 C4 H1 98.0(7) . . . no C5 C4 H2 24.0(8) . . . no C5 C4 H3 26.2(7) . . . no C5 C4 H3 26.2(7) . . . no C5 C4 H4 130.0(5) . . . no C5 C4 H4 80.0(4) . . . no C5 C4 H4 80.0(4) . . . no C5 C4 H6 86.3(3) . . . no C5 C4 H6 86.3(3) . . . no C5 C4 H10 176.8(4) . . . no C6 C4 C7 129.63(9) . . . ? C6 C4 C8 131.62(7) . . . ? C6 C4 C8 131.62(7) . . . ? C6 C4 H1 44.8(6) . . . no C6 C4 H2 118.9(8) . . . no C6 C4 H3 149.7(7) . . . no C6 C4 H3 149.7(7) . . . no C6 C4 H4 12.9(4) . . . no C6 C4 H4 82.2(4) . . . no C6 C4 H4 82.2(4) . . . no C6 C4 H6 121.7(3) . . . no C6 C4 H6 121.7(3) . . . no C6 C4 H10 40.3(4) . . . no C7 C4 C8 21.99(4) . . . ? C7 C4 C8 21.99(4) . . . ? C7 C4 H1 174.5(6) . . . no C7 C4 H2 111.5(8) . . . no C7 C4 H3 73.5(7) . . . no C7 C4 H3 73.5(7) . . . no C7 C4 H4 142.5(5) . . . no C7 C4 H4 116.5(4) . . . no C7 C4 H4 116.5(4) . . . no C7 C4 H6 37.9(4) . . . no C7 C4 H6 37.9(4) . . . no C7 C4 H10 89.3(4) . . . no C8 C4 C8 42.50(7) . . . ? C8 C4 H1 158.75(4) . . . no C8 C4 H2 104.6(8) . . . no C8 C4 H3 61.4(7) . . . no C8 C4 H3 77.7(7) . . . no C8 C4 H4 142.5(4) . . . no C8 C4 H4 94.5(4) . . . no C8 C4 H4 135.4(4) . . . no C8 C4 H6 16.9(4) . . . no C8 C4 H6 59.2(4) . . . no C8 C4 H10 94.8(4) . . . no C8 C4 H1 158.75(4) 4 4 4 no C8 C4 H2 104.6(8) 4 4 4 no C8 C4 H3 77.7(7) 4 4 4 no C8 C4 H3 61.4(7) 4 4 4 no C8 C4 H4 142.5(4) 4 4 4 no C8 C4 H4 135.4(4) 4 4 4 no C8 C4 H4 94.5(4) 4 4 4 no C8 C4 H6 59.2(4) 4 4 4 no C8 C4 H6 16.9(4) 4 4 4 no C8 C4 H10 94.8(4) 4 4 4 no H1 C4 H2 74.1(10) . . . no H1 C4 H3 111.5(9) . . . no H1 C4 H3 111.5(9) . . . no H1 C4 H4 31.9(8) . . . no H1 C4 H4 64.8(4) . . . no H1 C4 H4 64.8(4) . . . no H1 C4 H6 142.0(4) . . . no H1 C4 H6 142.0(4) . . . no H1 C4 H10 85.2(7) . . . no H2 C4 H3 43.9(9) . . . no H2 C4 H3 43.9(9) . . . no H2 C4 H4 106.0(10) . . . no H2 C4 H4 69.9(5) . . . no H2 C4 H4 69.9(5) . . . no H2 C4 H6 105.1(7) . . . no H2 C4 H6 105.1(7) . . . no H2 C4 H10 159.2(9) . . . no H3 C4 H3 43.1(14) . . . no H3 C4 H4 139.8(8) . . . no H3 C4 H4 68.5(8) . . . no H3 C4 H4 106.0(8) . . . no H3 C4 H6 61.6(8) . . . no H3 C4 H6 88.6(8) . . . no H3 C4 H10 152.0(7) . . . no H3 C4 H4 139.8(8) 4 4 4 no H3 C4 H4 106.0(8) 4 4 4 no H3 C4 H4 68.5(8) 4 4 4 no H3 C4 H6 88.6(8) 4 4 4 no H3 C4 H6 61.6(8) 4 4 4 no H3 C4 H10 152.0(7) 4 4 4 no H4 C4 H4 76.3(5) . . . no H4 C4 H4 76.3(5) . . . no H4 C4 H6 130.1(4) . . . no H4 C4 H6 130.1(4) . . . no H4 C4 H10 53.2(6) . . . no H4 C4 H4 121.8(8) 2_746 2_746 2_746 no H4 C4 H6 79.0(6) 2_746 2_746 2_746 no H4 C4 H6 152.0(5) 2_746 2_746 2_746 no H4 C4 H10 101.5(5) 2_746 2_746 2_746 no H4 C4 H6 152.0(5) 2_756 2_756 2_756 no H4 C4 H6 79.0(6) 2_756 2_756 2_756 no H4 C4 H10 101.5(5) 2_756 2_756 2_756 no H6 C4 H6 75.7(8) . . . no H6 C4 H10 91.2(5) . . . no H6 C4 H10 91.2(5) 4 4 4 no O1 C5 N1 132.56(12) 1_655 1_655 1_655 ? O1 C5 C1 123.50(9) 1_655 1_655 1_655 ? O1 C5 C2 86.11(8) 1_655 1_655 1_655 ? O1 C5 C3 75.46(9) 1_655 1_655 1_655 ? O1 C5 C4 103.0(2) 1_655 1_655 1_655 ? O1 C5 C7 163.79(11) 1_655 1_655 1_655 ? O1 C5 C8 158.81(5) 1_655 1_655 1_655 ? O1 C5 C8 158.81(5) 1_655 1_655 1_655 ? O1 C5 C11 88.91(7) 1_655 1_655 1_655 ? O1 C5 C11 88.91(7) 1_655 1_655 1_655 ? O1 C5 H1 54.9(5) 1_655 1_655 1_655 no O1 C5 H2 7.7(18) 1_655 1_655 1_655 no O1 C5 H3 115.8(15) 1_655 1_655 1_655 no O1 C5 H3 115.8(15) 1_655 1_655 1_655 no O1 C5 H4 66.8(4) 1_655 1_655 1_655 no O1 C5 H4 66.8(4) 1_655 1_655 1_655 no O1 C5 H5 46.4(4) 1_655 1_655 1_655 no O1 C5 H5 46.4(4) 1_655 1_655 1_655 no O1 C5 H6 142.9(4) 1_655 1_655 1_655 no O1 C5 H6 142.9(4) 1_655 1_655 1_655 no O1 C5 H7 109.6(3) 1_655 1_655 1_655 no O1 C5 H7 109.6(3) 1_655 1_655 1_655 no O1 C5 H8 79.2(4) 1_655 1_655 1_655 no O1 C5 H8 79.2(4) 1_655 1_655 1_655 no O1 C5 H9 96.1(5) 1_655 1_655 1_655 no O1 C5 H9 96.1(5) 1_655 1_655 1_655 no N1 C5 C1 9.06(5) . . . ? N1 C5 C2 46.45(6) . . . ? N1 C5 C3 57.10(8) . . . ? N1 C5 C4 29.58(9) . . . ? N1 C5 C7 31.23(6) . . . ? N1 C5 C8 45.48(6) . . . ? N1 C5 C8 45.48(6) . . . ? N1 C5 C11 110.96(7) . . . ? N1 C5 C11 110.96(7) . . . ? N1 C5 H1 77.6(5) . . . no N1 C5 H2 140.3(18) . . . no N1 C5 H3 91.7(15) . . . no N1 C5 H3 91.7(15) . . . no N1 C5 H4 92.5(4) . . . no N1 C5 H4 92.5(4) . . . no N1 C5 H5 114.9(4) . . . no N1 C5 H5 114.9(4) . . . no N1 C5 H6 47.6(3) . . . no N1 C5 H6 47.6(3) . . . no N1 C5 H7 114.0(3) . . . no N1 C5 H7 114.0(3) . . . no N1 C5 H8 123.0(5) . . . no N1 C5 H8 123.0(5) . . . no N1 C5 H9 96.8(5) . . . no N1 C5 H9 96.8(5) . . . no C1 C5 C2 37.38(5) . . . ? C1 C5 C3 48.03(7) . . . ? C1 C5 C4 20.51(10) . . . ? C1 C5 C7 40.29(6) . . . ? C1 C5 C8 53.52(6) . . . ? C1 C5 C8 53.52(6) . . . ? C1 C5 C11 113.64(7) . . . ? C1 C5 C11 113.64(7) . . . ? C1 C5 H1 68.6(5) . . . no C1 C5 H2 131.2(18) . . . no C1 C5 H3 97.3(15) . . . no C1 C5 H3 97.3(15) . . . no C1 C5 H4 88.0(4) . . . no C1 C5 H4 88.0(4) . . . no C1 C5 H5 109.2(4) . . . no C1 C5 H5 109.2(4) . . . no C1 C5 H6 53.7(3) . . . no C1 C5 H6 53.7(3) . . . no C1 C5 H7 122.1(3) . . . no C1 C5 H7 122.1(3) . . . no C1 C5 H8 125.2(4) . . . no C1 C5 H8 125.2(4) . . . no C1 C5 H9 99.0(5) . . . no C1 C5 H9 99.0(5) . . . no C2 C5 C3 10.65(6) . . . ? C2 C5 C4 16.87(10) . . . ? C2 C5 C7 77.68(8) . . . ? C2 C5 C8 88.14(7) . . . ? C2 C5 C8 88.14(7) . . . ? C2 C5 C11 117.77(5) . . . ? C2 C5 C11 117.77(5) . . . ? C2 C5 H1 31.2(5) . . . no C2 C5 H2 93.8(18) . . . no C2 C5 H3 118.0(14) . . . no C2 C5 H3 118.0(14) . . . no C2 C5 H4 70.9(4) . . . no C2 C5 H4 70.9(4) . . . no C2 C5 H5 83.8(4) . . . no C2 C5 H5 83.8(4) . . . no C2 C5 H6 82.7(3) . . . no C2 C5 H6 82.7(3) . . . no C2 C5 H7 151.6(4) . . . no C2 C5 H7 151.6(4) . . . no C2 C5 H8 123.6(4) . . . no C2 C5 H8 123.6(4) . . . no C2 C5 H9 105.3(5) . . . no C2 C5 H9 105.3(5) . . . no C3 C5 C4 27.52(10) . . . ? C3 C5 C7 88.33(10) . . . ? C3 C5 C8 98.12(9) . . . ? C3 C5 C8 98.12(9) . . . ? C3 C5 C11 116.65(5) . . . ? C3 C5 C11 116.65(5) . . . ? C3 C5 H1 20.5(5) . . . no C3 C5 H2 83.2(18) . . . no C3 C5 H3 122.4(14) . . . no C3 C5 H3 122.4(14) . . . no C3 C5 H4 67.0(4) . . . no C3 C5 H4 67.0(4) . . . no C3 C5 H5 76.5(4) . . . no C3 C5 H5 76.5(4) . . . no C3 C5 H6 91.4(3) . . . no C3 C5 H6 91.4(3) . . . no C3 C5 H7 156.2(4) . . . no C3 C5 H7 156.2(4) . . . no C3 C5 H8 120.1(4) . . . no C3 C5 H8 120.1(4) . . . no C3 C5 H9 106.0(5) . . . no C3 C5 H9 106.0(5) . . . no C4 C5 C7 60.81(12) . . . ? C4 C5 C8 72.37(12) . . . ? C4 C5 C8 72.37(12) . . . ? C4 C5 C11 117.42(6) . . . ? C4 C5 C11 117.42(6) . . . ? C4 C5 H1 48.1(5) . . . no C4 C5 H2 110.7(18) . . . no C4 C5 H3 109.4(14) . . . no C4 C5 H3 109.4(14) . . . no C4 C5 H4 78.1(4) . . . no C4 C5 H4 78.1(4) . . . no C4 C5 H5 95.4(4) . . . no C4 C5 H5 95.4(4) . . . no C4 C5 H6 69.1(3) . . . no C4 C5 H6 69.1(3) . . . no C4 C5 H7 139.6(4) . . . no C4 C5 H7 139.6(4) . . . no C4 C5 H8 126.5(4) . . . no C4 C5 H8 126.5(4) . . . no C4 C5 H9 103.1(5) . . . no C4 C5 H9 103.1(5) . . . no C7 C5 C8 22.77(4) . . . ? C7 C5 C8 22.77(4) . . . ? C7 C5 C11 98.57(8) . . . ? C7 C5 C11 98.57(8) . . . ? C7 C5 H1 108.9(5) . . . no C7 C5 H2 171.5(18) . . . no C7 C5 H3 72.9(15) . . . no C7 C5 H3 72.9(15) . . . no C7 C5 H4 107.1(5) . . . no C7 C5 H4 107.1(5) . . . no C7 C5 H5 130.1(4) . . . no C7 C5 H5 130.1(4) . . . no C7 C5 H6 35.2(4) . . . no C7 C5 H6 35.2(4) . . . no C7 C5 H7 85.3(3) . . . no C7 C5 H7 85.3(3) . . . no C7 C5 H8 109.8(5) . . . no C7 C5 H8 109.8(5) . . . no C7 C5 H9 88.3(5) . . . no C7 C5 H9 88.3(5) . . . no C8 C5 C8 40.80(7) . . . ? C8 C5 C11 75.80(7) . . . ? C8 C5 C11 111.75(9) . . . ? C8 C5 H1 117.2(5) . . . no C8 C5 H2 159.5(2) . . . no C8 C5 H3 50.4(15) . . . no C8 C5 H3 84.9(15) . . . no C8 C5 H4 92.0(4) . . . no C8 C5 H4 129.9(5) . . . no C8 C5 H5 152.7(4) . . . no C8 C5 H5 112.6(4) . . . no C8 C5 H6 15.9(3) . . . no C8 C5 H6 55.9(4) . . . no C8 C5 H7 84.6(3) . . . no C8 C5 H7 68.6(3) . . . no C8 C5 H8 120.6(4) . . . no C8 C5 H8 87.1(5) . . . no C8 C5 H9 65.9(5) . . . no C8 C5 H9 105.1(5) . . . no C8 C5 C11 111.75(9) 4 4 4 ? C8 C5 C11 75.80(7) 4 4 4 ? C8 C5 H1 117.2(5) 4 4 4 no C8 C5 H2 159.5(2) 4 4 4 no C8 C5 H3 84.9(15) 4 4 4 no C8 C5 H3 50.4(15) 4 4 4 no C8 C5 H4 129.9(5) 4 4 4 no C8 C5 H4 92.0(4) 4 4 4 no C8 C5 H5 112.6(4) 4 4 4 no C8 C5 H5 152.7(4) 4 4 4 no C8 C5 H6 55.9(4) 4 4 4 no C8 C5 H6 15.9(3) 4 4 4 no C8 C5 H7 68.6(3) 4 4 4 no C8 C5 H7 84.6(3) 4 4 4 no C8 C5 H8 87.1(5) 4 4 4 no C8 C5 H8 120.6(4) 4 4 4 no C8 C5 H9 105.1(5) 4 4 4 no C8 C5 H9 65.9(5) 4 4 4 no C11 C5 C11 124.11(11) 2_747 2_747 2_747 ? C11 C5 H1 111.9(2) 2_747 2_747 2_747 no C11 C5 H2 85.3(8) 2_747 2_747 2_747 no C11 C5 H3 26.9(15) 2_747 2_747 2_747 no C11 C5 H3 119.7(15) 2_747 2_747 2_747 no C11 C5 H4 50.7(4) 2_747 2_747 2_747 no C11 C5 H4 154.3(5) 2_747 2_747 2_747 no C11 C5 H5 130.8(4) 2_747 2_747 2_747 no C11 C5 H5 51.5(4) 2_747 2_747 2_747 no C11 C5 H6 66.0(3) 2_747 2_747 2_747 no C11 C5 H6 127.5(4) 2_747 2_747 2_747 no C11 C5 H7 87.0(4) 2_747 2_747 2_747 no C11 C5 H7 42.4(4) 2_747 2_747 2_747 no C11 C5 H8 116.1(4) 2_747 2_747 2_747 no C11 C5 H8 12.1(4) 2_747 2_747 2_747 no C11 C5 H9 14.8(5) 2_747 2_747 2_747 no C11 C5 H9 136.9(5) 2_747 2_747 2_747 no C11 C5 H1 111.9(2) 2_757 2_757 2_757 no C11 C5 H2 85.3(8) 2_757 2_757 2_757 no C11 C5 H3 119.7(15) 2_757 2_757 2_757 no C11 C5 H3 26.9(15) 2_757 2_757 2_757 no C11 C5 H4 154.3(5) 2_757 2_757 2_757 no C11 C5 H4 50.7(4) 2_757 2_757 2_757 no C11 C5 H5 51.5(4) 2_757 2_757 2_757 no C11 C5 H5 130.8(4) 2_757 2_757 2_757 no C11 C5 H6 127.5(4) 2_757 2_757 2_757 no C11 C5 H6 66.0(3) 2_757 2_757 2_757 no C11 C5 H7 42.4(4) 2_757 2_757 2_757 no C11 C5 H7 87.0(4) 2_757 2_757 2_757 no C11 C5 H8 12.1(4) 2_757 2_757 2_757 no C11 C5 H8 116.1(4) 2_757 2_757 2_757 no C11 C5 H9 136.9(5) 2_757 2_757 2_757 no C11 C5 H9 14.8(5) 2_757 2_757 2_757 no H1 C5 H2 62.6(18) . . . no H1 C5 H3 127.6(15) . . . no H1 C5 H3 127.6(15) . . . no H1 C5 H4 61.7(4) . . . no H1 C5 H4 61.7(4) . . . no H1 C5 H5 63.5(5) . . . no H1 C5 H5 63.5(5) . . . no H1 C5 H6 108.0(5) . . . no H1 C5 H6 108.0(5) . . . no H1 C5 H7 153.5(5) . . . no H1 C5 H7 153.5(5) . . . no H1 C5 H8 110.9(5) . . . no H1 C5 H8 110.9(5) . . . no H1 C5 H9 105.7(5) . . . no H1 C5 H9 105.7(5) . . . no H2 C5 H3 111.8(18) . . . no H2 C5 H3 111.8(18) . . . no H2 C5 H4 69.5(8) . . . no H2 C5 H4 69.5(8) . . . no H2 C5 H5 47.6(6) . . . no H2 C5 H5 47.6(6) . . . no H2 C5 H6 144.6(4) . . . no H2 C5 H6 144.6(4) . . . no H2 C5 H7 102.5(17) . . . no H2 C5 H7 102.5(17) . . . no H2 C5 H8 74.8(11) . . . no H2 C5 H8 74.8(11) . . . no H2 C5 H9 94.0(7) . . . no H2 C5 H9 94.0(7) . . . no H3 C5 H3 103.5(29) . . . no H3 C5 H4 67.8(15) . . . no H3 C5 H4 170.4(15) . . . no H3 C5 H5 153.4(15) . . . no H3 C5 H5 76.1(16) . . . no H3 C5 H6 44.1(15) . . . no H3 C5 H6 100.6(15) . . . no H3 C5 H7 77.3(15) . . . no H3 C5 H7 34.0(15) . . . no H3 C5 H8 117.5(15) . . . no H3 C5 H8 37.0(16) . . . no H3 C5 H9 24.0(16) . . . no H3 C5 H9 126.5(15) . . . no H3 C5 H4 170.4(15) 4 4 4 no H3 C5 H4 67.8(15) 4 4 4 no H3 C5 H5 76.1(16) 4 4 4 no H3 C5 H5 153.4(15) 4 4 4 no H3 C5 H6 100.6(15) 4 4 4 no H3 C5 H6 44.1(15) 4 4 4 no H3 C5 H7 34.0(15) 4 4 4 no H3 C5 H7 77.3(15) 4 4 4 no H3 C5 H8 37.0(16) 4 4 4 no H3 C5 H8 117.5(15) 4 4 4 no H3 C5 H9 126.5(15) 4 4 4 no H3 C5 H9 24.0(16) 4 4 4 no H4 C5 H4 120.5(8) 2_746 2_746 2_746 no H4 C5 H5 109.7(6) 2_746 2_746 2_746 no H4 C5 H5 23.5(5) 2_746 2_746 2_746 no H4 C5 H6 76.1(6) 2_746 2_746 2_746 no H4 C5 H6 139.3(6) 2_746 2_746 2_746 no H4 C5 H7 136.7(6) 2_746 2_746 2_746 no H4 C5 H7 93.1(5) 2_746 2_746 2_746 no H4 C5 H8 142.5(7) 2_746 2_746 2_746 no H4 C5 H8 53.2(6) 2_746 2_746 2_746 no H4 C5 H9 44.4(6) 2_746 2_746 2_746 no H4 C5 H9 162.4(6) 2_746 2_746 2_746 no H4 C5 H5 23.5(5) 2_756 2_756 2_756 no H4 C5 H5 109.7(6) 2_756 2_756 2_756 no H4 C5 H6 139.3(6) 2_756 2_756 2_756 no H4 C5 H6 76.1(6) 2_756 2_756 2_756 no H4 C5 H7 93.1(5) 2_756 2_756 2_756 no H4 C5 H7 136.7(6) 2_756 2_756 2_756 no H4 C5 H8 53.2(6) 2_756 2_756 2_756 no H4 C5 H8 142.5(7) 2_756 2_756 2_756 no H4 C5 H9 162.4(6) 2_756 2_756 2_756 no H4 C5 H9 44.4(6) 2_756 2_756 2_756 no H5 C5 H5 92.4(8) 2_756 2_756 2_756 no H5 C5 H6 162.4(5) 2_756 2_756 2_756 no H5 C5 H6 97.1(6) 2_756 2_756 2_756 no H5 C5 H7 90.2(5) 2_756 2_756 2_756 no H5 C5 H7 124.3(5) 2_756 2_756 2_756 no H5 C5 H8 47.7(6) 2_756 2_756 2_756 no H5 C5 H8 119.0(6) 2_756 2_756 2_756 no H5 C5 H9 141.5(6) 2_756 2_756 2_756 no H5 C5 H9 52.8(6) 2_756 2_756 2_756 no H5 C5 H6 97.1(6) 3_756 3_756 3_756 no H5 C5 H6 162.4(5) 3_756 3_756 3_756 no H5 C5 H7 124.3(5) 3_756 3_756 3_756 no H5 C5 H7 90.2(5) 3_756 3_756 3_756 no H5 C5 H8 119.0(6) 3_756 3_756 3_756 no H5 C5 H8 47.7(6) 3_756 3_756 3_756 no H5 C5 H9 52.8(6) 3_756 3_756 3_756 no H5 C5 H9 141.5(6) 3_756 3_756 3_756 no H6 C5 H6 70.2(7) . . . no H6 C5 H7 96.5(5) . . . no H6 C5 H7 70.5(4) . . . no H6 C5 H8 135.5(5) . . . no H6 C5 H8 78.0(6) . . . no H6 C5 H9 53.9(6) . . . no H6 C5 H9 121.0(6) . . . no H6 C5 H7 70.5(4) 4 4 4 no H6 C5 H7 96.5(5) 4 4 4 no H6 C5 H8 78.0(6) 4 4 4 no H6 C5 H8 135.5(5) 4 4 4 no H6 C5 H9 121.0(6) 4 4 4 no H6 C5 H9 53.9(6) 4 4 4 no H7 C5 H7 45.7(8) 2_757 2_757 2_757 no H7 C5 H8 42.6(5) 2_757 2_757 2_757 no H7 C5 H8 83.5(6) 2_757 2_757 2_757 no H7 C5 H9 96.7(6) 2_757 2_757 2_757 no H7 C5 H9 51.0(6) 2_757 2_757 2_757 no H7 C5 H8 83.5(6) 3_757 3_757 3_757 no H7 C5 H8 42.6(5) 3_757 3_757 3_757 no H7 C5 H9 51.0(6) 3_757 3_757 3_757 no H7 C5 H9 96.7(6) 3_757 3_757 3_757 no H8 C5 H8 106.6(9) 2_757 2_757 2_757 no H8 C5 H9 130.1(7) 2_757 2_757 2_757 no H8 C5 H9 26.3(6) 2_757 2_757 2_757 no H8 C5 H9 26.3(6) 3_757 3_757 3_757 no H8 C5 H9 130.1(7) 3_757 3_757 3_757 no H9 C5 H9 147.7(10) 2_747 2_747 2_747 no CL1 C6 CL1 167.73(8) 2_646 2_646 2_646 ? CL1 C6 O1 70.46(5) 2_646 2_646 2_646 ? CL1 C6 O1 70.46(5) 2_646 2_646 2_646 ? CL1 C6 N2 54.45(7) 2_646 2_646 2_646 ? CL1 C6 C1 62.35(5) 2_646 2_646 2_646 ? CL1 C6 C2 84.11(13) 2_646 2_646 2_646 ? CL1 C6 C3 110.71(9) 2_646 2_646 2_646 ? CL1 C6 C4 99.88(6) 2_646 2_646 2_646 ? CL1 C6 C11 96.57(9) 2_646 2_646 2_646 ? CL1 C6 H1 130.3(5) 2_646 2_646 2_646 no CL1 C6 H1 112.4(3) 2_646 2_646 2_646 no CL1 C6 H1 112.4(3) 2_646 2_646 2_646 no CL1 C6 H2 100.6(4) 2_646 2_646 2_646 no CL1 C6 H2 100.6(4) 2_646 2_646 2_646 no CL1 C6 H4 166.2(18) 2_646 2_646 2_646 no CL1 C6 H5 54.7(15) 2_646 2_646 2_646 no CL1 C6 H5 54.7(15) 2_646 2_646 2_646 no CL1 C6 H8 88.7(4) 2_646 2_646 2_646 no CL1 C6 H8 88.7(4) 2_646 2_646 2_646 no CL1 C6 H9 112.9(6) 2_646 2_646 2_646 no CL1 C6 H10 34.2(6) 2_646 2_646 2_646 no CL1 C6 O1 108.21(5) 2_746 2_746 2_746 ? CL1 C6 O1 108.21(5) 2_746 2_746 2_746 ? CL1 C6 N2 137.82(11) 2_746 2_746 2_746 ? CL1 C6 C1 129.92(9) 2_746 2_746 2_746 ? CL1 C6 C2 108.2(2) 2_746 2_746 2_746 ? CL1 C6 C3 81.56(9) 2_746 2_746 2_746 ? CL1 C6 C4 92.39(7) 2_746 2_746 2_746 ? CL1 C6 C11 71.16(8) 2_746 2_746 2_746 ? CL1 C6 H1 62.0(5) 2_746 2_746 2_746 no CL1 C6 H1 70.1(4) 2_746 2_746 2_746 no CL1 C6 H1 70.1(4) 2_746 2_746 2_746 no CL1 C6 H2 74.2(4) 2_746 2_746 2_746 no CL1 C6 H2 74.2(4) 2_746 2_746 2_746 no CL1 C6 H4 1.6(18) 2_746 2_746 2_746 no CL1 C6 H5 118.4(15) 2_746 2_746 2_746 no CL1 C6 H5 118.4(15) 2_746 2_746 2_746 no CL1 C6 H8 79.4(4) 2_746 2_746 2_746 no CL1 C6 H8 79.4(4) 2_746 2_746 2_746 no CL1 C6 H9 54.8(6) 2_746 2_746 2_746 no CL1 C6 H10 158.0(6) 2_746 2_746 2_746 no O1 C6 O1 140.11(10) 2_646 2_646 2_646 ? O1 C6 N2 81.96(5) 2_646 2_646 2_646 ? O1 C6 C1 84.51(5) 2_646 2_646 2_646 ? O1 C6 C2 91.86(6) 2_646 2_646 2_646 ? O1 C6 C3 100.43(5) 2_646 2_646 2_646 ? O1 C6 C4 97.10(5) 2_646 2_646 2_646 ? O1 C6 C11 88.37(5) 2_646 2_646 2_646 ? O1 C6 H1 105.51(12) 2_646 2_646 2_646 no O1 C6 H1 44.1(3) 2_646 2_646 2_646 no O1 C6 H1 174.0(3) 2_646 2_646 2_646 no O1 C6 H2 37.3(4) 2_646 2_646 2_646 no O1 C6 H2 149.4(4) 2_646 2_646 2_646 no O1 C6 H4 108.0(3) 2_646 2_646 2_646 no O1 C6 H5 28.4(15) 2_646 2_646 2_646 no O1 C6 H5 115.9(15) 2_646 2_646 2_646 no O1 C6 H8 73.1(5) 2_646 2_646 2_646 no O1 C6 H8 98.3(5) 2_646 2_646 2_646 no O1 C6 H9 93.9(2) 2_646 2_646 2_646 no O1 C6 H10 76.2(2) 2_646 2_646 2_646 no O1 C6 N2 81.96(5) 2_656 2_656 2_656 ? O1 C6 C1 84.51(5) 2_656 2_656 2_656 ? O1 C6 C2 91.86(6) 2_656 2_656 2_656 ? O1 C6 C3 100.43(5) 2_656 2_656 2_656 ? O1 C6 C4 97.10(5) 2_656 2_656 2_656 ? O1 C6 C11 88.37(5) 2_656 2_656 2_656 ? O1 C6 H1 105.51(12) 2_656 2_656 2_656 no O1 C6 H1 174.0(3) 2_656 2_656 2_656 no O1 C6 H1 44.1(3) 2_656 2_656 2_656 no O1 C6 H2 149.4(4) 2_656 2_656 2_656 no O1 C6 H2 37.3(4) 2_656 2_656 2_656 no O1 C6 H4 108.0(3) 2_656 2_656 2_656 no O1 C6 H5 115.9(15) 2_656 2_656 2_656 no O1 C6 H5 28.4(15) 2_656 2_656 2_656 no O1 C6 H8 98.3(5) 2_656 2_656 2_656 no O1 C6 H8 73.1(5) 2_656 2_656 2_656 no O1 C6 H9 93.9(2) 2_656 2_656 2_656 no O1 C6 H10 76.2(2) 2_656 2_656 2_656 no N2 C6 C1 7.90(6) . . . ? N2 C6 C2 29.66(11) . . . ? N2 C6 C3 56.26(8) . . . ? N2 C6 C4 45.43(7) . . . ? N2 C6 C11 151.0(1) . . . ? N2 C6 H1 75.8(5) . . . no N2 C6 H1 95.5(4) . . . no N2 C6 H1 95.5(4) . . . no N2 C6 H2 117.5(4) . . . no N2 C6 H2 117.5(4) . . . no N2 C6 H4 139.4(19) . . . no N2 C6 H5 90.3(14) . . . no N2 C6 H5 90.3(14) . . . no N2 C6 H8 141.1(5) . . . no N2 C6 H8 141.1(5) . . . no N2 C6 H9 167.3(6) . . . no N2 C6 H10 20.2(6) . . . no C1 C6 C2 21.76(11) . . . ? C1 C6 C3 48.36(7) . . . ? C1 C6 C4 37.53(5) . . . ? C1 C6 C11 158.92(12) . . . ? C1 C6 H1 67.9(5) . . . no C1 C6 H1 92.3(4) . . . no C1 C6 H1 92.3(4) . . . no C1 C6 H2 118.1(4) . . . no C1 C6 H2 118.1(4) . . . no C1 C6 H4 131.5(18) . . . no C1 C6 H5 96.0(14) . . . no C1 C6 H5 96.0(14) . . . no C1 C6 H8 148.3(5) . . . no C1 C6 H8 148.3(5) . . . no C1 C6 H9 175.2(6) . . . no C1 C6 H10 28.1(6) . . . no C2 C6 C3 26.60(10) . . . ? C2 C6 C4 15.77(11) . . . ? C2 C6 C11 179.3(2) . . . ? C2 C6 H1 46.1(5) . . . no C2 C6 H1 83.4(3) . . . no C2 C6 H1 83.4(3) . . . no C2 C6 H2 116.9(4) . . . no C2 C6 H2 116.9(4) . . . no C2 C6 H4 109.7(19) . . . no C2 C6 H5 111.0(14) . . . no C2 C6 H5 111.0(14) . . . no C2 C6 H8 164.8(5) . . . no C2 C6 H8 164.8(5) . . . no C2 C6 H9 163.0(6) . . . no C2 C6 H10 49.9(6) . . . no C3 C6 C4 10.83(6) . . . ? C3 C6 C11 152.72(13) . . . ? C3 C6 H1 19.5(5) . . . no C3 C6 H1 73.7(3) . . . no C3 C6 H1 73.7(3) . . . no C3 C6 H2 110.0(4) . . . no C3 C6 H2 110.0(4) . . . no C3 C6 H4 83.1(18) . . . no C3 C6 H5 126.7(15) . . . no C3 C6 H5 126.7(15) . . . no C3 C6 H8 156.6(4) . . . no C3 C6 H8 156.6(4) . . . no C3 C6 H9 136.4(6) . . . no C3 C6 H10 76.5(6) . . . no C4 C6 C11 163.55(11) . . . ? C4 C6 H1 30.4(5) . . . no C4 C6 H1 77.4(3) . . . no C4 C6 H1 77.4(3) . . . no C4 C6 H2 113.4(4) . . . no C4 C6 H2 113.4(4) . . . no C4 C6 H4 94.0(18) . . . no C4 C6 H5 120.9(14) . . . no C4 C6 H5 120.9(14) . . . no C4 C6 H8 164.2(4) . . . no C4 C6 H8 164.2(4) . . . no C4 C6 H9 147.2(6) . . . no C4 C6 H10 65.7(6) . . . no C11 C6 H1 133.2(5) 1_554 1_554 1_554 no C11 C6 H1 96.4(3) 1_554 1_554 1_554 no C11 C6 H1 96.4(3) 1_554 1_554 1_554 no C11 C6 H2 63.0(4) 1_554 1_554 1_554 no C11 C6 H2 63.0(4) 1_554 1_554 1_554 no C11 C6 H4 69.6(18) 1_554 1_554 1_554 no C11 C6 H5 69.4(14) 1_554 1_554 1_554 no C11 C6 H5 69.4(14) 1_554 1_554 1_554 no C11 C6 H8 15.5(4) 1_554 1_554 1_554 no C11 C6 H8 15.5(4) 1_554 1_554 1_554 no C11 C6 H9 16.3(6) 1_554 1_554 1_554 no C11 C6 H10 130.8(7) 1_554 1_554 1_554 no H1 C6 H1 68.6(3) . . . no H1 C6 H1 68.6(3) . . . no H1 C6 H2 102.3(4) . . . no H1 C6 H2 102.3(4) . . . no H1 C6 H4 63.6(19) . . . no H1 C6 H5 133.9(15) . . . no H1 C6 H5 133.9(15) . . . no H1 C6 H8 139.2(6) . . . no H1 C6 H8 139.2(6) . . . no H1 C6 H9 116.9(8) . . . no H1 C6 H10 96.0(8) . . . no H1 C6 H1 131.3(6) 2_746 2_746 2_746 no H1 C6 H2 36.3(5) 2_746 2_746 2_746 no H1 C6 H2 143.1(6) 2_746 2_746 2_746 no H1 C6 H4 70.5(6) 2_746 2_746 2_746 no H1 C6 H5 69.4(15) 2_746 2_746 2_746 no H1 C6 H5 157.5(15) 2_746 2_746 2_746 no H1 C6 H8 87.1(6) 2_746 2_746 2_746 no H1 C6 H8 111.8(6) 2_746 2_746 2_746 no H1 C6 H9 89.7(4) 2_746 2_746 2_746 no H1 C6 H10 103.2(4) 2_746 2_746 2_746 no H1 C6 H2 143.1(6) 2_756 2_756 2_756 no H1 C6 H2 36.3(5) 2_756 2_756 2_756 no H1 C6 H4 70.5(6) 2_756 2_756 2_756 no H1 C6 H5 157.5(15) 2_756 2_756 2_756 no H1 C6 H5 69.4(15) 2_756 2_756 2_756 no H1 C6 H8 111.8(6) 2_756 2_756 2_756 no H1 C6 H8 87.1(6) 2_756 2_756 2_756 no H1 C6 H9 89.7(4) 2_756 2_756 2_756 no H1 C6 H10 103.2(4) 2_756 2_756 2_756 no H2 C6 H2 123.6(7) 2_746 2_746 2_746 no H2 C6 H4 73.5(9) 2_746 2_746 2_746 no H2 C6 H5 46.1(16) 2_746 2_746 2_746 no H2 C6 H5 122.7(15) 2_746 2_746 2_746 no H2 C6 H8 51.5(6) 2_746 2_746 2_746 no H2 C6 H8 77.6(6) 2_746 2_746 2_746 no H2 C6 H9 61.8(4) 2_746 2_746 2_746 no H2 C6 H10 113.4(5) 2_746 2_746 2_746 no H2 C6 H4 73.5(9) 2_756 2_756 2_756 no H2 C6 H5 122.7(15) 2_756 2_756 2_756 no H2 C6 H5 46.1(16) 2_756 2_756 2_756 no H2 C6 H8 77.6(6) 2_756 2_756 2_756 no H2 C6 H8 51.5(6) 2_756 2_756 2_756 no H2 C6 H9 61.8(4) 2_756 2_756 2_756 no H2 C6 H10 113.4(5) 2_756 2_756 2_756 no H4 C6 H5 117.4(18) . . . no H4 C6 H5 117.4(18) . . . no H4 C6 H8 77.8(18) . . . no H4 C6 H8 77.8(18) . . . no H4 C6 H9 53.3(19) . . . no H4 C6 H10 159.6(20) . . . no H5 C6 H5 88.9(29) . . . no H5 C6 H8 54.3(15) . . . no H5 C6 H8 75.0(15) . . . no H5 C6 H9 80.7(15) . . . no H5 C6 H10 76.0(15) . . . no H5 C6 H8 75.0(15) 4 4 4 no H5 C6 H8 54.3(15) 4 4 4 no H5 C6 H9 80.7(15) 4 4 4 no H5 C6 H10 76.0(15) 4 4 4 no H8 C6 H8 26.8(9) 1_554 1_554 1_554 no H8 C6 H9 27.5(6) 1_554 1_554 1_554 no H8 C6 H10 121.9(8) 1_554 1_554 1_554 no H8 C6 H9 27.5(6) 4_554 4_554 4_554 no H8 C6 H10 121.9(8) 4_554 4_554 4_554 no H9 C6 H10 147.1(9) 1_554 1_554 1_554 no O1 C7 N1 57.80(10) . . . ? O1 C7 N2 38.27(5) . . . ? O1 C7 C1 26.69(6) . . . ? O1 C7 C3 75.22(6) . . . ? O1 C7 C4 85.92(8) . . . ? O1 C7 C5 117.61(9) . . . ? O1 C7 C8 104.91(12) . . . ? O1 C7 C8 104.91(12) . . . ? O1 C7 C9 117.74(9) . . . ? O1 C7 C9 117.74(9) . . . ? O1 C7 C10 122.45(9) . . . ? O1 C7 H2 115.6(4) . . . no O1 C7 H2 37.7(4) . . . no O1 C7 H3 127.2(5) . . . no O1 C7 H3 127.2(5) . . . no O1 C7 H6 93.1(5) . . . no O1 C7 H6 93.1(5) . . . no O1 C7 H7 114.9(4) . . . no O1 C7 H7 114.9(4) . . . no N1 C7 N2 19.53(9) . . . ? N1 C7 C1 31.11(9) . . . ? N1 C7 C3 17.42(9) . . . ? N1 C7 C4 28.12(9) . . . ? N1 C7 C5 59.81(11) . . . ? N1 C7 C8 119.30(10) . . . ? N1 C7 C8 119.30(10) . . . ? N1 C7 C9 150.36(5) . . . ? N1 C7 C9 150.36(5) . . . ? N1 C7 C10 179.7(2) . . . ? N1 C7 H2 57.8(4) . . . no N1 C7 H2 95.5(4) . . . no N1 C7 H3 71.8(5) . . . no N1 C7 H3 71.8(5) . . . no N1 C7 H6 95.3(5) . . . no N1 C7 H6 95.3(5) . . . no N1 C7 H7 141.4(4) . . . no N1 C7 H7 141.4(4) . . . no N2 C7 C1 11.58(6) . . . ? N2 C7 C3 36.94(5) . . . ? N2 C7 C4 47.65(6) . . . ? N2 C7 C5 79.34(8) . . . ? N2 C7 C8 117.38(10) . . . ? N2 C7 C8 117.38(10) . . . ? N2 C7 C9 145.09(7) . . . ? N2 C7 C9 145.09(7) . . . ? N2 C7 C10 160.73(9) . . . ? N2 C7 H2 77.4(4) . . . no N2 C7 H2 76.0(4) . . . no N2 C7 H3 90.6(5) . . . no N2 C7 H3 90.6(5) . . . no N2 C7 H6 95.1(5) . . . no N2 C7 H6 95.1(5) . . . no N2 C7 H7 137.6(4) . . . no N2 C7 H7 137.6(4) . . . no C1 C7 C3 48.52(6) . . . ? C1 C7 C4 59.22(8) . . . ? C1 C7 C5 90.92(9) . . . ? C1 C7 C8 114.64(11) . . . ? C1 C7 C8 114.64(11) . . . ? C1 C7 C9 138.21(9) . . . ? C1 C7 C9 138.21(9) . . . ? C1 C7 C10 149.15(11) . . . ? C1 C7 H2 89.0(4) . . . no C1 C7 H2 64.4(4) . . . no C1 C7 H3 101.7(5) . . . no C1 C7 H3 101.7(5) . . . no C1 C7 H6 94.7(5) . . . no C1 C7 H6 94.7(5) . . . no C1 C7 H7 132.2(4) . . . no C1 C7 H7 132.2(4) . . . no C3 C7 C4 10.70(6) . . . ? C3 C7 C5 42.39(7) . . . ? C3 C7 C8 117.91(10) . . . ? C3 C7 C8 117.91(10) . . . ? C3 C7 C9 145.94(7) . . . ? C3 C7 C9 145.94(7) . . . ? C3 C7 C10 162.33(10) . . . ? C3 C7 H2 40.4(4) . . . no C3 C7 H2 112.9(4) . . . no C3 C7 H3 55.3(5) . . . no C3 C7 H3 55.3(5) . . . no C3 C7 H6 94.9(5) . . . no C3 C7 H6 94.9(5) . . . no C3 C7 H7 138.1(4) . . . no C3 C7 H7 138.1(4) . . . no C4 C7 C5 31.69(8) . . . ? C4 C7 C8 115.69(10) . . . ? C4 C7 C8 115.69(10) . . . ? C4 C7 C9 139.93(8) . . . ? C4 C7 C9 139.93(8) . . . ? C4 C7 C10 151.63(11) . . . ? C4 C7 H2 29.7(4) . . . no C4 C7 H2 123.6(4) . . . no C4 C7 H3 45.3(5) . . . no C4 C7 H3 45.3(5) . . . no C4 C7 H6 94.5(5) . . . no C4 C7 H6 94.5(5) . . . no C4 C7 H7 133.4(4) . . . no C4 C7 H7 133.4(4) . . . no C5 C7 C8 104.45(11) . . . ? C5 C7 C8 104.45(11) . . . ? C5 C7 C9 115.76(10) . . . ? C5 C7 C9 115.76(10) . . . ? C5 C7 C10 119.94(11) . . . ? C5 C7 H2 2.0(4) . . . no C5 C7 H2 155.3(4) . . . no C5 C7 H3 19.3(5) . . . no C5 C7 H3 19.3(5) . . . no C5 C7 H6 92.4(5) . . . no C5 C7 H6 92.4(5) . . . no C5 C7 H7 112.9(4) . . . no C5 C7 H7 112.9(4) . . . no C8 C7 C8 121.4(2) . . . ? C8 C7 C9 31.06(9) . . . ? C8 C7 C9 90.35(12) . . . ? C8 C7 C10 60.71(10) . . . ? C8 C7 H2 105.3(2) . . . no C8 C7 H2 87.1(2) . . . no C8 C7 H3 85.4(5) . . . no C8 C7 H3 113.2(5) . . . no C8 C7 H6 24.0(5) . . . no C8 C7 H6 145.4(5) . . . no C8 C7 H7 22.1(4) . . . no C8 C7 H7 99.3(4) . . . no C8 C7 C9 90.35(12) 4 4 4 ? C8 C7 C9 31.06(9) 4 4 4 ? C8 C7 C10 60.71(10) 4 4 4 ? C8 C7 H2 105.3(2) 4 4 4 no C8 C7 H2 87.1(2) 4 4 4 no C8 C7 H3 113.2(5) 4 4 4 no C8 C7 H3 85.4(5) 4 4 4 no C8 C7 H6 145.4(5) 4 4 4 no C8 C7 H6 24.0(5) 4 4 4 no C8 C7 H7 99.3(4) 4 4 4 no C8 C7 H7 22.1(4) 4 4 4 no C9 C7 C9 59.28(11) . . . ? C9 C7 C10 29.64(5) . . . ? C9 C7 H2 117.4(3) . . . no C9 C7 H2 85.4(4) . . . no C9 C7 H3 97.7(5) . . . no C9 C7 H3 113.7(5) . . . no C9 C7 H6 55.1(5) . . . no C9 C7 H6 114.4(5) . . . no C9 C7 H7 9.0(4) . . . no C9 C7 H7 68.3(4) . . . no C9 C7 C10 29.64(5) 4 4 4 ? C9 C7 H2 117.4(3) 4 4 4 no C9 C7 H2 85.4(4) 4 4 4 no C9 C7 H3 113.7(5) 4 4 4 no C9 C7 H3 97.7(5) 4 4 4 no C9 C7 H6 114.4(5) 4 4 4 no C9 C7 H6 55.1(5) 4 4 4 no C9 C7 H7 68.3(4) 4 4 4 no C9 C7 H7 9.0(4) 4 4 4 no C10 C7 H2 121.9(4) . . . no C10 C7 H2 84.8(4) . . . no C10 C7 H3 107.9(5) . . . no C10 C7 H3 107.9(5) . . . no C10 C7 H6 84.7(5) . . . no C10 C7 H6 84.7(5) . . . no C10 C7 H7 38.6(4) . . . no C10 C7 H7 38.6(4) . . . no H2 C7 H2 153.3(8) . . . no H2 C7 H3 20.5(6) . . . no H2 C7 H3 20.5(6) . . . no H2 C7 H6 92.5(5) . . . no H2 C7 H6 92.5(5) . . . no H2 C7 H7 114.3(5) . . . no H2 C7 H7 114.3(5) . . . no H2 C7 H3 159.4(5) 1_455 1_455 1_455 no H2 C7 H3 159.4(5) 1_455 1_455 1_455 no H2 C7 H6 89.8(5) 1_455 1_455 1_455 no H2 C7 H6 89.8(5) 1_455 1_455 1_455 no H2 C7 H7 86.0(5) 1_455 1_455 1_455 no H2 C7 H7 86.0(5) 1_455 1_455 1_455 no H3 C7 H3 31.6(10) . . . no H3 C7 H6 75.7(7) . . . no H3 C7 H6 107.1(7) . . . no H3 C7 H7 94.0(6) . . . no H3 C7 H7 114.1(6) . . . no H3 C7 H6 107.1(7) 4 4 4 no H3 C7 H6 75.7(7) 4 4 4 no H3 C7 H7 114.1(6) 4 4 4 no H3 C7 H7 94.0(6) 4 4 4 no H6 C7 H6 169.4(10) . . . no H6 C7 H7 46.1(7) . . . no H6 C7 H7 123.3(7) . . . no H6 C7 H7 123.3(7) 4 4 4 no H6 C7 H7 46.1(7) 4 4 4 no H7 C7 H7 77.2(8) . . . no CL1 C8 O1 74.75(4) 1_545 1_545 1_545 ? CL1 C8 N1 66.59(4) 1_545 1_545 1_545 ? CL1 C8 C1 64.11(4) 1_545 1_545 1_545 ? CL1 C8 C4 61.45(3) 1_545 1_545 1_545 ? CL1 C8 C5 72.71(4) 1_545 1_545 1_545 ? CL1 C8 C7 98.00(10) 1_545 1_545 1_545 ? CL1 C8 C8 127.29(3) 1_545 1_545 1_545 ? CL1 C8 C9 143.38(13) 1_545 1_545 1_545 ? CL1 C8 C9 157.70(7) 1_545 1_545 1_545 ? CL1 C8 C10 171.94(8) 1_545 1_545 1_545 ? CL1 C8 C11 160.75(6) 1_545 1_545 1_545 ? CL1 C8 H3 69.9(5) 1_545 1_545 1_545 no CL1 C8 H3 88.1(4) 1_545 1_545 1_545 no CL1 C8 H5 52.6(4) 1_545 1_545 1_545 no CL1 C8 H6 23.1(11) 1_545 1_545 1_545 no CL1 C8 H6 118.8(3) 1_545 1_545 1_545 no CL1 C8 H6 45.0(3) 1_545 1_545 1_545 no CL1 C8 H7 118.7(7) 1_545 1_545 1_545 no CL1 C8 H7 157.2(3) 1_545 1_545 1_545 no CL1 C8 H7 96.6(3) 1_545 1_545 1_545 no CL1 C8 H8 91.3(4) 1_545 1_545 1_545 no CL1 C8 H9 51.1(5) 1_545 1_545 1_545 no O1 C8 N1 43.37(5) . . . ? O1 C8 C1 21.23(4) . . . ? O1 C8 C4 64.26(5) . . . ? O1 C8 C5 88.67(6) . . . ? O1 C8 C7 51.65(10) . . . ? O1 C8 C8 68.96(4) . . . ? O1 C8 C9 129.42(13) . . . ? O1 C8 C9 90.88(7) . . . ? O1 C8 C10 112.26(8) . . . ? O1 C8 C11 119.90(7) . . . ? O1 C8 H3 101.1(4) . . . no O1 C8 H3 90.6(4) . . . no O1 C8 H5 46.4(4) . . . no O1 C8 H6 90.6(11) . . . no O1 C8 H6 63.6(3) . . . no O1 C8 H6 105.9(3) . . . no O1 C8 H7 137.0(6) . . . no O1 C8 H7 90.6(3) . . . no O1 C8 H7 145.4(3) . . . no O1 C8 H8 77.8(4) . . . no O1 C8 H9 121.6(5) . . . no N1 C8 C1 23.41(5) . . . ? N1 C8 C4 21.54(5) . . . ? N1 C8 C5 45.30(6) . . . ? N1 C8 C7 31.44(8) . . . ? N1 C8 C8 60.73(5) . . . ? N1 C8 C9 150.0(2) . . . ? N1 C8 C9 91.23(8) . . . ? N1 C8 C10 121.12(9) . . . ? N1 C8 C11 132.47(7) . . . ? N1 C8 H3 58.0(4) . . . no N1 C8 H3 49.3(4) . . . no N1 C8 H5 77.2(4) . . . no N1 C8 H6 89.7(11) . . . no N1 C8 H6 52.3(3) . . . no N1 C8 H6 111.5(3) . . . no N1 C8 H7 174.6(7) . . . no N1 C8 H7 90.8(3) . . . no N1 C8 H7 102.2(3) . . . no N1 C8 H8 120.0(4) . . . no N1 C8 H9 90.5(4) . . . no C1 C8 C4 43.32(6) . . . ? C1 C8 C5 68.27(6) . . . ? C1 C8 C7 42.78(9) . . . ? C1 C8 C8 68.38(4) . . . ? C1 C8 C9 147.6(1) . . . ? C1 C8 C9 96.54(7) . . . ? C1 C8 C10 123.83(8) . . . ? C1 C8 C11 133.91(7) . . . ? C1 C8 H3 80.1(4) . . . no C1 C8 H3 72.5(4) . . . no C1 C8 H5 56.1(4) . . . no C1 C8 H6 84.8(11) . . . no C1 C8 H6 60.9(3) . . . no C1 C8 H6 104.7(3) . . . no C1 C8 H7 158.0(6) . . . no C1 C8 H7 96.1(3) . . . no C1 C8 H7 125.3(3) . . . no C1 C8 H8 96.6(4) . . . no C1 C8 H9 103.7(5) . . . no C4 C8 C5 25.37(6) . . . ? C4 C8 C7 42.32(8) . . . ? C4 C8 C8 68.75(4) . . . ? C4 C8 C9 148.7(1) . . . ? C4 C8 C9 97.11(7) . . . ? C4 C8 C10 124.61(8) . . . ? C4 C8 C11 134.48(7) . . . ? C4 C8 H3 36.8(4) . . . no C4 C8 H3 34.2(4) . . . no C4 C8 H5 90.2(4) . . . no C4 C8 H6 83.3(11) . . . no C4 C8 H6 60.8(3) . . . no C4 C8 H6 104.0(3) . . . no C4 C8 H7 158.7(6) . . . no C4 C8 H7 96.7(3) . . . no C4 C8 H7 82.0(3) . . . no C4 C8 H8 137.4(4) . . . no C4 C8 H9 71.0(4) . . . no C5 C8 C7 52.78(10) . . . ? C5 C8 C8 69.60(4) . . . ? C5 C8 C9 126.7(1) . . . ? C5 C8 C9 90.32(7) . . . ? C5 C8 C10 110.62(9) . . . ? C5 C8 C11 117.38(8) . . . ? C5 C8 H3 14.2(5) . . . no C5 C8 H3 15.5(4) . . . no C5 C8 H5 113.4(4) . . . no C5 C8 H6 89.4(11) . . . no C5 C8 H6 64.0(3) . . . no C5 C8 H6 105.1(3) . . . no C5 C8 H7 133.7(6) . . . no C5 C8 H7 90.0(3) . . . no C5 C8 H7 57.0(3) . . . no C5 C8 H8 161.4(4) . . . no C5 C8 H9 58.4(3) . . . no C7 C8 C8 29.30(10) . . . ? C7 C8 C9 118.5(2) . . . ? C7 C8 C9 59.79(10) . . . ? C7 C8 C10 89.69(12) . . . ? C7 C8 C11 101.04(11) . . . ? C7 C8 H3 66.8(5) . . . no C7 C8 H3 45.6(4) . . . no C7 C8 H5 97.0(4) . . . no C7 C8 H6 121.1(11) . . . no C7 C8 H6 20.8(3) . . . no C7 C8 H6 143.0(3) . . . no C7 C8 H7 143.2(7) . . . no C7 C8 H7 59.3(3) . . . no C7 C8 H7 98.2(4) . . . no C7 C8 H8 122.9(5) . . . no C7 C8 H9 110.5(3) . . . no C8 C8 C9 89.23(11) 4 4 4 ? C8 C8 C9 30.50(5) 4 4 4 ? C8 C8 C10 60.39(5) 4 4 4 ? C8 C8 C11 71.75(3) 4 4 4 ? C8 C8 H3 80.9(5) 4 4 4 no C8 C8 H3 56.3(4) 4 4 4 no C8 C8 H5 114.2(4) 4 4 4 no C8 C8 H6 150.4(11) 4 4 4 no C8 C8 H6 8.5(3) 4 4 4 no C8 C8 H6 172.3(3) 4 4 4 no C8 C8 H7 114.0(7) 4 4 4 no C8 C8 H7 30.0(3) 4 4 4 no C8 C8 H7 92.6(4) 4 4 4 no C8 C8 H8 115.9(5) 4 4 4 no C8 C8 H9 125.5(3) 4 4 4 no C9 C8 C9 58.74(13) . . . ? C9 C8 C10 28.84(10) . . . ? C9 C8 C11 17.49(10) . . . ? C9 C8 H3 120.5(5) . . . no C9 C8 H3 114.9(4) . . . no C9 C8 H5 119.8(4) . . . no C9 C8 H6 120.3(11) . . . no C9 C8 H6 97.7(3) . . . no C9 C8 H6 98.5(3) . . . no C9 C8 H7 24.7(7) . . . no C9 C8 H7 59.2(3) . . . no C9 C8 H7 76.8(3) . . . no C9 C8 H8 71.8(4) . . . no C9 C8 H9 108.4(5) . . . no C9 C8 C10 29.89(5) 4 4 4 ? C9 C8 C11 41.25(4) 4 4 4 ? C9 C8 H3 97.0(5) 4 4 4 no C9 C8 H3 74.9(4) 4 4 4 no C9 C8 H5 127.0(4) 4 4 4 no C9 C8 H6 178.4(11) 4 4 4 no C9 C8 H6 39.0(3) 4 4 4 no C9 C8 H6 157.2(3) 4 4 4 no C9 C8 H7 83.5(7) 4 4 4 no C9 C8 H7 0.5(3) 4 4 4 no C9 C8 H7 85.6(4) 4 4 4 no C9 C8 H8 102.4(4) 4 4 4 no C9 C8 H9 131.1(4) 4 4 4 no C10 C8 C11 11.36(3) . . . ? C10 C8 H3 111.4(5) . . . no C10 C8 H3 95.7(4) . . . no C10 C8 H5 129.0(4) . . . no C10 C8 H6 149.2(11) . . . no C10 C8 H6 68.8(3) . . . no C10 C8 H6 127.3(3) . . . no C10 C8 H7 53.6(7) . . . no C10 C8 H7 30.3(3) . . . no C10 C8 H7 79.9(3) . . . no C10 C8 H8 86.5(4) . . . no C10 C8 H9 123.7(5) . . . no C11 C8 H3 115.5(5) . . . no C11 C8 H3 103.3(4) . . . no C11 C8 H5 126.8(4) . . . no C11 C8 H6 137.8(11) . . . no C11 C8 H6 80.2(3) . . . no C11 C8 H6 116.0(3) . . . no C11 C8 H7 42.2(7) . . . no C11 C8 H7 41.7(3) . . . no C11 C8 H7 78.0(3) . . . no C11 C8 H8 80.7(4) . . . no C11 C8 H9 118.1(5) . . . no H3 C8 H3 24.6(8) . . . no H3 C8 H5 117.6(6) . . . no H3 C8 H6 82.4(12) . . . no H3 C8 H6 76.3(6) . . . no H3 C8 H6 94.8(6) . . . no H3 C8 H7 121.9(7) . . . no H3 C8 H7 96.7(6) . . . no H3 C8 H7 45.6(6) . . . no H3 C8 H8 160.6(6) . . . no H3 C8 H9 45.4(5) . . . no H3 C8 H5 124.3(5) 4 4 4 no H3 C8 H6 104.8(12) 4 4 4 no H3 C8 H6 51.9(5) 4 4 4 no H3 C8 H6 119.2(5) 4 4 4 no H3 C8 H7 128.0(7) 4 4 4 no H3 C8 H7 74.5(5) 4 4 4 no H3 C8 H7 55.3(5) 4 4 4 no H3 C8 H8 168.1(6) 4 4 4 no H3 C8 H9 69.7(5) 4 4 4 no H5 C8 H6 54.4(11) 3_656 3_656 3_656 no H5 C8 H6 109.7(5) 3_656 3_656 3_656 no H5 C8 H6 62.2(5) 3_656 3_656 3_656 no H5 C8 H7 106.6(7) 3_656 3_656 3_656 no H5 C8 H7 127.0(5) 3_656 3_656 3_656 no H5 C8 H7 147.2(5) 3_656 3_656 3_656 no H5 C8 H8 48.1(5) 3_656 3_656 3_656 no H5 C8 H9 100.9(6) 3_656 3_656 3_656 no H6 C8 H6 141.9(14) . . . no H6 C8 H6 21.9(9) . . . no H6 C8 H7 95.6(13) . . . no H6 C8 H7 178.6(11) . . . no H6 C8 H7 93.0(11) . . . no H6 C8 H8 78.3(11) . . . no H6 C8 H9 47.7(11) . . . no H6 C8 H6 163.8(6) 4 4 4 no H6 C8 H7 122.4(7) 4 4 4 no H6 C8 H7 38.5(5) 4 4 4 no H6 C8 H7 94.1(5) 4 4 4 no H6 C8 H8 118.9(6) 4 4 4 no H6 C8 H9 121.6(4) 4 4 4 no H6 C8 H7 73.8(7) 4_545 4_545 4_545 no H6 C8 H7 157.7(4) 4_545 4_545 4_545 no H6 C8 H7 88.9(5) 4_545 4_545 4_545 no H6 C8 H8 67.4(5) 4_545 4_545 4_545 no H6 C8 H9 51.6(4) 4_545 4_545 4_545 no H7 C8 H7 83.9(10) . . . no H7 C8 H7 76.8(7) . . . no H7 C8 H8 62.2(7) . . . no H7 C8 H9 92.5(7) . . . no H7 C8 H7 85.6(4) 4 4 4 no H7 C8 H8 102.7(5) 4 4 4 no H7 C8 H9 131.0(5) 4 4 4 no H7 C8 H8 136.6(6) 3_757 3_757 3_757 no H7 C8 H9 46.5(6) 3_757 3_757 3_757 no H8 C8 H9 118.6(6) 3_657 3_657 3_657 no N1 C9 C7 11.21(3) . . . ? N1 C9 C8 19.20(9) . . . ? N1 C9 C8 41.07(4) . . . ? N1 C9 C9 71.57(3) . . . ? N1 C9 C9 127.97(8) . . . ? N1 C9 C9 93.90(6) . . . ? N1 C9 C10 102.55(12) . . . ? N1 C9 C11 133.72(8) . . . ? N1 C9 C11 100.66(6) . . . ? N1 C9 H3 40.9(3) . . . no N1 C9 H3 155.2(4) . . . no N1 C9 H6 43.2(6) . . . no N1 C9 H6 41.3(3) . . . no N1 C9 H7 137.2(12) . . . no N1 C9 H7 79.8(3) . . . no N1 C9 H7 115.8(3) . . . no N1 C9 H7 118.9(3) . . . no N1 C9 H7 83.5(3) . . . no N1 C9 H8 151.5(6) . . . no N1 C9 H8 124.2(4) . . . no N1 C9 H8 92.5(4) . . . no N1 C9 H9 133.2(3) . . . no C7 C9 C8 30.41(9) . . . ? C7 C9 C8 29.86(4) . . . ? C7 C9 C9 60.36(5) . . . ? C7 C9 C9 128.04(11) . . . ? C7 C9 C9 96.74(8) . . . ? C7 C9 C10 91.34(13) . . . ? C7 C9 C11 122.51(9) . . . ? C7 C9 C11 106.62(8) . . . ? C7 C9 H3 44.3(3) . . . no C7 C9 H3 156.9(4) . . . no C7 C9 H6 54.4(6) . . . no C7 C9 H6 30.1(3) . . . no C7 C9 H7 148.4(12) . . . no C7 C9 H7 68.6(3) . . . no C7 C9 H7 127.0(3) . . . no C7 C9 H7 117.0(4) . . . no C7 C9 H7 84.7(3) . . . no C7 C9 H8 140.7(6) . . . no C7 C9 H8 113.1(4) . . . no C7 C9 H8 97.7(4) . . . no C7 C9 H9 123.0(3) . . . no C8 C9 C8 60.27(12) . . . ? C8 C9 C9 90.77(11) . . . ? C8 C9 C9 123.6(2) . . . ? C8 C9 C9 89.26(12) . . . ? C8 C9 C10 121.7(2) . . . ? C8 C9 C11 152.9(2) . . . ? C8 C9 C11 89.46(12) . . . ? C8 C9 H3 41.2(4) . . . no C8 C9 H3 144.3(4) . . . no C8 C9 H6 24.0(6) . . . no C8 C9 H6 60.5(3) . . . no C8 C9 H7 118.0(12) . . . no C8 C9 H7 99.0(3) . . . no C8 C9 H7 96.6(4) . . . no C8 C9 H7 119.0(3) . . . no C8 C9 H7 82.5(3) . . . no C8 C9 H8 168.1(6) . . . no C8 C9 H8 143.1(5) . . . no C8 C9 H8 83.1(4) . . . no C8 C9 H9 149.5(5) . . . no C8 C9 C9 30.50(5) 4 4 4 ? C8 C9 C9 120.47(10) 4 4 4 ? C8 C9 C9 102.81(9) 4 4 4 ? C8 C9 C10 61.48(11) 4 4 4 ? C8 C9 C11 92.66(8) 4 4 4 ? C8 C9 C11 119.55(8) 4 4 4 ? C8 C9 H3 61.1(4) 4 4 4 no C8 C9 H3 141.5(4) 4 4 4 no C8 C9 H6 84.3(6) 4 4 4 no C8 C9 H6 0.4(3) 4 4 4 no C8 C9 H7 178.2(12) 4 4 4 no C8 C9 H7 38.8(3) 4 4 4 no C8 C9 H7 156.9(3) 4 4 4 no C8 C9 H7 107.1(4) 4 4 4 no C8 C9 H7 88.7(4) 4 4 4 no C8 C9 H8 111.3(6) 4 4 4 no C8 C9 H8 83.4(4) 4 4 4 no C8 C9 H8 109.9(5) 4 4 4 no C8 C9 H9 95.2(3) 4 4 4 no C9 C9 C9 105.12(6) 4 4 4 ? C9 C9 C9 105.24(6) 4 4 4 ? C9 C9 C10 30.98(10) 4 4 4 ? C9 C9 C11 62.16(5) 4 4 4 ? C9 C9 C11 124.99(5) 4 4 4 ? C9 C9 H3 83.3(4) 4 4 4 no C9 C9 H3 115.2(4) 4 4 4 no C9 C9 H6 114.8(6) 4 4 4 no C9 C9 H6 30.3(3) 4 4 4 no C9 C9 H7 151.2(12) 4 4 4 no C9 C9 H7 8.3(3) 4 4 4 no C9 C9 H7 172.6(3) 4 4 4 no C9 C9 H7 93.1(4) 4 4 4 no C9 C9 H7 92.9(4) 4 4 4 no C9 C9 H8 81.2(6) 4 4 4 no C9 C9 H8 53.2(4) 4 4 4 no C9 C9 H8 117.5(5) 4 4 4 no C9 C9 H9 66.5(2) 4 4 4 no C9 C9 C9 134.25(10) 3_657 3_657 3_657 ? C9 C9 C10 86.39(12) 3_657 3_657 3_657 ? C9 C9 C11 68.64(9) 3_657 3_657 3_657 ? C9 C9 C11 37.34(5) 3_657 3_657 3_657 ? C9 C9 H3 163.7(4) 3_657 3_657 3_657 no C9 C9 H3 74.9(4) 3_657 3_657 3_657 no C9 C9 H6 113.8(5) 3_657 3_657 3_657 no C9 C9 H6 120.7(3) 3_657 3_657 3_657 no C9 C9 H7 60.5(12) 3_657 3_657 3_657 no C9 C9 H7 100.3(4) 3_657 3_657 3_657 no C9 C9 H7 70.8(3) 3_657 3_657 3_657 no C9 C9 H7 13.4(4) 3_657 3_657 3_657 no C9 C9 H7 147.2(4) 3_657 3_657 3_657 no C9 C9 H8 51.5(6) 3_657 3_657 3_657 no C9 C9 H8 67.7(5) 3_657 3_657 3_657 no C9 C9 H8 41.3(4) 3_657 3_657 3_657 no C9 C9 H9 83.5(6) 3_657 3_657 3_657 no C9 C9 C10 103.3(2) 3_757 3_757 3_757 ? C9 C9 C11 97.12(11) 3_757 3_757 3_757 ? C9 C9 C11 129.76(9) 3_757 3_757 3_757 ? C9 C9 H3 53.1(3) 3_757 3_757 3_757 no C9 C9 H3 61.5(4) 3_757 3_757 3_757 no C9 C9 H6 82.6(5) 3_757 3_757 3_757 no C9 C9 H6 102.5(3) 3_757 3_757 3_757 no C9 C9 H7 76.7(12) 3_757 3_757 3_757 no C9 C9 H7 105.1(4) 3_757 3_757 3_757 no C9 C9 H7 74.9(3) 3_757 3_757 3_757 no C9 C9 H7 146.3(4) 3_757 3_757 3_757 no C9 C9 H7 14.1(4) 3_757 3_757 3_757 no C9 C9 H8 101.2(5) 3_757 3_757 3_757 no C9 C9 H8 106.4(4) 3_757 3_757 3_757 no C9 C9 H8 136.6(5) 3_757 3_757 3_757 no C9 C9 H9 78.2(6) 3_757 3_757 3_757 no C10 C9 C11 31.18(8) . . . ? C10 C9 C11 119.5(1) . . . ? C10 C9 H3 106.8(4) . . . no C10 C9 H3 86.8(4) . . . no C10 C9 H6 145.7(6) . . . no C10 C9 H6 61.2(3) . . . no C10 C9 H7 120.3(12) . . . no C10 C9 H7 22.7(4) . . . no C10 C9 H7 141.7(3) . . . no C10 C9 H7 78.2(4) . . . no C10 C9 H7 96.4(4) . . . no C10 C9 H8 50.6(6) . . . no C10 C9 H8 22.9(5) . . . no C10 C9 H8 117.0(5) . . . no C10 C9 H9 38.5(3) . . . no C11 C9 C11 105.99(9) . . . ? C11 C9 H3 127.4(4) . . . no C11 C9 H3 58.2(4) . . . no C11 C9 H6 176.8(6) . . . no C11 C9 H6 92.4(3) . . . no C11 C9 H7 89.1(12) . . . no C11 C9 H7 53.9(4) . . . no C11 C9 H7 110.5(3) . . . no C11 C9 H7 66.6(3) . . . no C11 C9 H7 97.5(3) . . . no C11 C9 H8 20.9(6) . . . no C11 C9 H8 11.9(4) . . . no C11 C9 H8 108.8(4) . . . no C11 C9 H9 19.0(6) . . . no C11 C9 H3 126.5(4) 2_647 2_647 2_647 no C11 C9 H3 94.2(4) 2_647 2_647 2_647 no C11 C9 H6 76.5(5) 2_647 2_647 2_647 no C11 C9 H6 119.9(3) 2_647 2_647 2_647 no C11 C9 H7 60.1(12) 2_647 2_647 2_647 no C11 C9 H7 124.7(4) 2_647 2_647 2_647 no C11 C9 H7 55.4(3) 2_647 2_647 2_647 no C11 C9 H7 41.8(4) 2_647 2_647 2_647 no C11 C9 H7 141.4(4) 2_647 2_647 2_647 no C11 C9 H8 88.1(5) 2_647 2_647 2_647 no C11 C9 H8 104.2(5) 2_647 2_647 2_647 no C11 C9 H8 9.7(5) 2_647 2_647 2_647 no C11 C9 H9 120.0(5) 2_647 2_647 2_647 no H3 C9 H3 114.6(4) . . . no H3 C9 H6 50.0(6) . . . no H3 C9 H6 61.1(5) . . . no H3 C9 H7 117.5(13) . . . no H3 C9 H7 89.6(5) . . . no H3 C9 H7 102.2(5) . . . no H3 C9 H7 159.5(4) . . . no H3 C9 H7 42.9(5) . . . no H3 C9 H8 144.7(7) . . . no H3 C9 H8 127.3(6) . . . no H3 C9 H8 122.4(5) . . . no H3 C9 H9 112.8(7) . . . no H3 C9 H6 124.1(7) 3_757 3_757 3_757 no H3 C9 H6 141.1(5) 3_757 3_757 3_757 no H3 C9 H7 39.8(13) 3_757 3_757 3_757 no H3 C9 H7 107.7(5) 3_757 3_757 3_757 no H3 C9 H7 58.1(5) 3_757 3_757 3_757 no H3 C9 H7 85.3(5) 3_757 3_757 3_757 no H3 C9 H7 72.6(5) 3_757 3_757 3_757 no H3 C9 H8 47.5(7) 3_757 3_757 3_757 no H3 C9 H8 69.8(5) 3_757 3_757 3_757 no H3 C9 H8 103.7(6) 3_757 3_757 3_757 no H3 C9 H9 48.9(5) 3_757 3_757 3_757 no H6 C9 H6 84.5(9) . . . no H6 C9 H7 94.0(14) . . . no H6 C9 H7 123.0(7) . . . no H6 C9 H7 72.6(7) . . . no H6 C9 H7 115.3(6) . . . no H6 C9 H7 81.4(6) . . . no H6 C9 H8 162.3(8) . . . no H6 C9 H8 166.1(7) . . . no H6 C9 H8 73.3(6) . . . no H6 C9 H9 160.2(8) . . . no H6 C9 H7 178.4(13) 4 4 4 no H6 C9 H7 38.5(4) 4 4 4 no H6 C9 H7 157.1(4) 4 4 4 no H6 C9 H7 107.3(5) 4 4 4 no H6 C9 H7 88.4(5) 4 4 4 no H6 C9 H8 111.1(6) 4 4 4 no H6 C9 H8 83.2(5) 4 4 4 no H6 C9 H8 110.3(5) 4 4 4 no H6 C9 H9 94.9(4) 4 4 4 no H7 C9 H7 143.0(15) . . . no H7 C9 H7 21.4(10) . . . no H7 C9 H7 73.9(14) . . . no H7 C9 H7 90.8(13) . . . no H7 C9 H8 70.4(14) . . . no H7 C9 H8 98.3(13) . . . no H7 C9 H8 69.7(13) . . . no H7 C9 H9 86.3(12) . . . no H7 C9 H7 164.4(6) 4 4 4 no H7 C9 H7 89.2(5) 4 4 4 no H7 C9 H7 93.9(5) 4 4 4 no H7 C9 H8 73.0(7) 4 4 4 no H7 C9 H8 45.1(6) 4 4 4 no H7 C9 H8 118.3(6) 4 4 4 no H7 C9 H9 58.8(4) 4 4 4 no H7 C9 H7 83.4(5) 4_545 4_545 4_545 no H7 C9 H7 88.0(5) 4_545 4_545 4_545 no H7 C9 H8 91.6(7) 4_545 4_545 4_545 no H7 C9 H8 119.5(5) 4_545 4_545 4_545 no H7 C9 H8 63.7(6) 4_545 4_545 4_545 no H7 C9 H9 106.6(4) 4_545 4_545 4_545 no H7 C9 H7 157.5(6) 3_657 3_657 3_657 no H7 C9 H8 53.3(6) 3_657 3_657 3_657 no H7 C9 H8 62.7(6) 3_657 3_657 3_657 no H7 C9 H8 42.5(6) 3_657 3_657 3_657 no H7 C9 H9 83.8(7) 3_657 3_657 3_657 no H7 C9 H8 106.5(6) 3_757 3_757 3_757 no H7 C9 H8 104.7(5) 3_757 3_757 3_757 no H7 C9 H8 146.4(6) 3_757 3_757 3_757 no H7 C9 H9 78.8(7) 3_757 3_757 3_757 no H8 C9 H8 28.0(9) . . . no H8 C9 H8 92.8(6) . . . no H8 C9 H9 32.0(7) . . . no H8 C9 H8 105.0(4) 4 4 4 no H8 C9 H9 28.8(6) 4 4 4 no H8 C9 H9 124.8(7) 3_657 3_657 3_657 no C7 C10 C8 29.61(5) . . . ? C7 C10 C8 29.61(5) . . . ? C7 C10 C9 59.02(10) . . . ? C7 C10 C9 59.02(10) . . . ? C7 C10 C11 179.0(2) . . . ? C7 C10 H3 125.6(4) . . . no C7 C10 H3 125.6(4) . . . no C7 C10 H6 38.3(4) . . . no C7 C10 H6 38.3(4) . . . no C7 C10 H7 83.2(6) . . . no C7 C10 H7 83.2(6) . . . no C7 C10 H7 107.2(3) . . . no C7 C10 H7 107.2(3) . . . no C7 C10 H8 155.2(7) . . . no C7 C10 H8 155.2(7) . . . no C7 C10 H8 74.6(4) . . . no C7 C10 H8 74.6(4) . . . no C7 C10 H9 151.7(9) . . . no C8 C10 C8 59.21(10) . . . ? C8 C10 C9 29.41(9) . . . ? C8 C10 C9 88.63(13) . . . ? C8 C10 C11 150.39(5) . . . ? C8 C10 H3 149.9(4) . . . no C8 C10 H3 98.6(4) . . . no C8 C10 H6 8.7(4) . . . no C8 C10 H6 67.9(4) . . . no C8 C10 H7 53.6(6) . . . no C8 C10 H7 112.8(6) . . . no C8 C10 H7 116.3(3) . . . no C8 C10 H7 93.8(3) . . . no C8 C10 H8 127.1(7) . . . no C8 C10 H8 166.8(7) . . . no C8 C10 H8 95.4(4) . . . no C8 C10 H8 55.8(4) . . . no C8 C10 H9 140.1(6) . . . no C8 C10 C9 88.63(13) 4 4 4 ? C8 C10 C9 29.41(9) 4 4 4 ? C8 C10 C11 150.39(5) 4 4 4 ? C8 C10 H3 98.6(4) 4 4 4 no C8 C10 H3 149.9(4) 4 4 4 no C8 C10 H6 67.9(4) 4 4 4 no C8 C10 H6 8.7(4) 4 4 4 no C8 C10 H7 112.8(6) 4 4 4 no C8 C10 H7 53.6(6) 4 4 4 no C8 C10 H7 93.8(3) 4 4 4 no C8 C10 H7 116.3(3) 4 4 4 no C8 C10 H8 166.8(7) 4 4 4 no C8 C10 H8 127.1(7) 4 4 4 no C8 C10 H8 55.8(4) 4 4 4 no C8 C10 H8 95.4(4) 4 4 4 no C8 C10 H9 140.1(6) 4 4 4 no C9 C10 C9 118.0(2) . . . ? C9 C10 C11 120.98(10) . . . ? C9 C10 H3 157.1(4) . . . no C9 C10 H3 71.3(4) . . . no C9 C10 H6 20.7(4) . . . no C9 C10 H6 97.3(4) . . . no C9 C10 H7 24.1(5) . . . no C9 C10 H7 142.2(6) . . . no C9 C10 H7 118.6(4) . . . no C9 C10 H7 79.8(4) . . . no C9 C10 H8 98.4(7) . . . no C9 C10 H8 142.0(7) . . . no C9 C10 H8 115.6(4) . . . no C9 C10 H8 45.0(4) . . . no C9 C10 H9 117.0(3) . . . no C9 C10 C11 120.98(10) 4 4 4 ? C9 C10 H3 71.3(4) 4 4 4 no C9 C10 H3 157.1(4) 4 4 4 no C9 C10 H6 97.3(4) 4 4 4 no C9 C10 H6 20.7(4) 4 4 4 no C9 C10 H7 142.2(6) 4 4 4 no C9 C10 H7 24.1(5) 4 4 4 no C9 C10 H7 79.8(4) 4 4 4 no C9 C10 H7 118.6(4) 4 4 4 no C9 C10 H8 142.0(7) 4 4 4 no C9 C10 H8 98.4(7) 4 4 4 no C9 C10 H8 45.0(4) 4 4 4 no C9 C10 H8 115.6(4) 4 4 4 no C9 C10 H9 117.0(3) 4 4 4 no C11 C10 H3 54.0(4) . . . no C11 C10 H3 54.0(4) . . . no C11 C10 H6 141.7(4) . . . no C11 C10 H6 141.7(4) . . . no C11 C10 H7 96.8(6) . . . no C11 C10 H7 96.8(6) . . . no C11 C10 H7 73.7(3) . . . no C11 C10 H7 73.7(3) . . . no C11 C10 H8 25.2(7) . . . no C11 C10 H8 25.2(7) . . . no C11 C10 H8 106.1(3) . . . no C11 C10 H8 106.1(3) . . . no C11 C10 H9 27.3(8) . . . no H3 C10 H3 92.9(7) 2_757 2_757 2_757 no H3 C10 H6 154.7(5) 2_757 2_757 2_757 no H3 C10 H6 90.3(5) 2_757 2_757 2_757 no H3 C10 H7 142.0(7) 2_757 2_757 2_757 no H3 C10 H7 49.4(7) 2_757 2_757 2_757 no H3 C10 H7 82.8(5) 2_757 2_757 2_757 no H3 C10 H7 115.4(5) 2_757 2_757 2_757 no H3 C10 H8 79.2(8) 2_757 2_757 2_757 no H3 C10 H8 43.1(8) 2_757 2_757 2_757 no H3 C10 H8 86.1(5) 2_757 2_757 2_757 no H3 C10 H8 153.4(5) 2_757 2_757 2_757 no H3 C10 H9 46.6(4) 2_757 2_757 2_757 no H3 C10 H6 90.3(5) 3_757 3_757 3_757 no H3 C10 H6 154.7(5) 3_757 3_757 3_757 no H3 C10 H7 49.4(7) 3_757 3_757 3_757 no H3 C10 H7 142.0(7) 3_757 3_757 3_757 no H3 C10 H7 115.4(5) 3_757 3_757 3_757 no H3 C10 H7 82.8(5) 3_757 3_757 3_757 no H3 C10 H8 43.1(8) 3_757 3_757 3_757 no H3 C10 H8 79.2(8) 3_757 3_757 3_757 no H3 C10 H8 153.4(5) 3_757 3_757 3_757 no H3 C10 H8 86.1(5) 3_757 3_757 3_757 no H3 C10 H9 46.6(4) 3_757 3_757 3_757 no H6 C10 H6 76.6(7) . . . no H6 C10 H7 44.8(7) . . . no H6 C10 H7 121.5(7) . . . no H6 C10 H7 118.1(5) . . . no H6 C10 H7 89.9(5) . . . no H6 C10 H8 118.7(8) . . . no H6 C10 H8 160.9(8) . . . no H6 C10 H8 101.9(5) . . . no H6 C10 H8 51.8(5) . . . no H6 C10 H9 133.6(6) . . . no H6 C10 H7 121.5(7) 4 4 4 no H6 C10 H7 44.8(7) 4 4 4 no H6 C10 H7 89.9(5) 4 4 4 no H6 C10 H7 118.1(5) 4 4 4 no H6 C10 H8 160.9(8) 4 4 4 no H6 C10 H8 118.7(8) 4 4 4 no H6 C10 H8 51.8(5) 4 4 4 no H6 C10 H8 101.9(5) 4 4 4 no H6 C10 H9 133.6(6) 4 4 4 no H7 C10 H7 166.3(11) . . . no H7 C10 H7 114.6(6) . . . no H7 C10 H7 70.0(8) . . . no H7 C10 H8 74.7(9) . . . no H7 C10 H8 118.7(9) . . . no H7 C10 H8 129.0(6) . . . no H7 C10 H8 46.4(7) . . . no H7 C10 H9 96.0(6) . . . no H7 C10 H7 70.0(8) 4 4 4 no H7 C10 H7 114.6(6) 4 4 4 no H7 C10 H8 118.7(9) 4 4 4 no H7 C10 H8 74.7(9) 4 4 4 no H7 C10 H8 46.4(7) 4 4 4 no H7 C10 H8 129.0(6) 4 4 4 no H7 C10 H9 96.0(6) 4 4 4 no H7 C10 H7 44.9(8) 2_657 2_657 2_657 no H7 C10 H8 73.1(8) 2_657 2_657 2_657 no H7 C10 H8 54.8(8) 2_657 2_657 2_657 no H7 C10 H8 38.1(5) 2_657 2_657 2_657 no H7 C10 H8 73.8(5) 2_657 2_657 2_657 no H7 C10 H9 98.9(9) 2_657 2_657 2_657 no H7 C10 H8 54.8(8) 3_657 3_657 3_657 no H7 C10 H8 73.1(8) 3_657 3_657 3_657 no H7 C10 H8 73.8(5) 3_657 3_657 3_657 no H7 C10 H8 38.1(5) 3_657 3_657 3_657 no H7 C10 H9 98.9(9) 3_657 3_657 3_657 no H8 C10 H8 44.0(14) . . . no H8 C10 H8 111.0(6) . . . no H8 C10 H8 82.0(8) . . . no H8 C10 H9 44.8(9) . . . no H8 C10 H8 82.0(8) 4 4 4 no H8 C10 H8 111.0(6) 4 4 4 no H8 C10 H9 44.8(9) 4 4 4 no H8 C10 H8 83.3(7) 2_657 2_657 2_657 no H8 C10 H9 124.4(6) 2_657 2_657 2_657 no H8 C10 H9 124.4(6) 3_657 3_657 3_657 no C5 C11 C5 124.11(11) 2_747 2_747 2_747 ? C5 C11 C6 69.93(6) 2_747 2_747 2_747 ? C5 C11 C8 91.23(6) 2_747 2_747 2_747 ? C5 C11 C8 125.09(8) 2_747 2_747 2_747 ? C5 C11 C9 82.30(7) 2_747 2_747 2_747 ? C5 C11 C9 133.73(10) 2_747 2_747 2_747 ? C5 C11 C9 142.51(10) 2_747 2_747 2_747 ? C5 C11 C9 77.31(5) 2_747 2_747 2_747 ? C5 C11 C10 108.46(9) 2_747 2_747 2_747 ? C5 C11 H2 12.6(4) 2_747 2_747 2_747 no C5 C11 H2 125.1(3) 2_747 2_747 2_747 no C5 C11 H3 123.8(4) 2_747 2_747 2_747 no C5 C11 H3 8.0(5) 2_747 2_747 2_747 no C5 C11 H4 65.7(1) 2_747 2_747 2_747 no C5 C11 H5 63.1(4) 2_747 2_747 2_747 no C5 C11 H5 84.6(5) 2_747 2_747 2_747 no C5 C11 H6 116.0(3) 2_747 2_747 2_747 no C5 C11 H6 80.3(3) 2_747 2_747 2_747 no C5 C11 H7 62.7(5) 2_747 2_747 2_747 no C5 C11 H7 150.8(5) 2_747 2_747 2_747 no C5 C11 H7 135.0(4) 2_747 2_747 2_747 no C5 C11 H7 90.7(4) 2_747 2_747 2_747 no C5 C11 H8 46.8(15) 2_747 2_747 2_747 no C5 C11 H8 139.6(15) 2_747 2_747 2_747 no C5 C11 H9 64.7(4) 2_747 2_747 2_747 no C5 C11 C6 69.93(6) 2_757 2_757 2_757 ? C5 C11 C8 125.09(8) 2_757 2_757 2_757 ? C5 C11 C8 91.23(6) 2_757 2_757 2_757 ? C5 C11 C9 133.73(10) 2_757 2_757 2_757 ? C5 C11 C9 82.30(7) 2_757 2_757 2_757 ? C5 C11 C9 77.31(5) 2_757 2_757 2_757 ? C5 C11 C9 142.51(10) 2_757 2_757 2_757 ? C5 C11 C10 108.46(9) 2_757 2_757 2_757 ? C5 C11 H2 125.1(3) 2_757 2_757 2_757 no C5 C11 H2 12.6(4) 2_757 2_757 2_757 no C5 C11 H3 8.0(5) 2_757 2_757 2_757 no C5 C11 H3 123.8(4) 2_757 2_757 2_757 no C5 C11 H4 65.7(1) 2_757 2_757 2_757 no C5 C11 H5 84.6(5) 2_757 2_757 2_757 no C5 C11 H5 63.1(4) 2_757 2_757 2_757 no C5 C11 H6 80.3(3) 2_757 2_757 2_757 no C5 C11 H6 116.0(3) 2_757 2_757 2_757 no C5 C11 H7 150.8(5) 2_757 2_757 2_757 no C5 C11 H7 62.7(5) 2_757 2_757 2_757 no C5 C11 H7 90.7(4) 2_757 2_757 2_757 no C5 C11 H7 135.0(4) 2_757 2_757 2_757 no C5 C11 H8 139.6(15) 2_757 2_757 2_757 no C5 C11 H8 46.8(15) 2_757 2_757 2_757 no C5 C11 H9 64.7(4) 2_757 2_757 2_757 no C6 C11 C8 161.10(5) 1_556 1_556 1_556 ? C6 C11 C8 161.10(5) 1_556 1_556 1_556 ? C6 C11 C9 151.78(6) 1_556 1_556 1_556 ? C6 C11 C9 151.78(6) 1_556 1_556 1_556 ? C6 C11 C9 94.44(8) 1_556 1_556 1_556 ? C6 C11 C9 94.44(8) 1_556 1_556 1_556 ? C6 C11 C10 175.4(2) 1_556 1_556 1_556 ? C6 C11 H2 62.6(4) 1_556 1_556 1_556 no C6 C11 H2 62.6(4) 1_556 1_556 1_556 no C6 C11 H3 75.9(4) 1_556 1_556 1_556 no C6 C11 H3 75.9(4) 1_556 1_556 1_556 no C6 C11 H4 14.4(5) 1_556 1_556 1_556 no C6 C11 H5 15.7(4) 1_556 1_556 1_556 no C6 C11 H5 15.7(4) 1_556 1_556 1_556 no C6 C11 H6 66.5(3) 1_556 1_556 1_556 no C6 C11 H6 66.5(3) 1_556 1_556 1_556 no C6 C11 H7 130.9(5) 1_556 1_556 1_556 no C6 C11 H7 130.9(5) 1_556 1_556 1_556 no C6 C11 H7 102.6(3) 1_556 1_556 1_556 no C6 C11 H7 102.6(3) 1_556 1_556 1_556 no C6 C11 H8 70.9(14) 1_556 1_556 1_556 no C6 C11 H8 70.9(14) 1_556 1_556 1_556 no C6 C11 H9 67.3(17) 1_556 1_556 1_556 no C8 C11 C8 36.50(6) . . . ? C8 C11 C9 9.59(5) . . . ? C8 C11 C9 46.09(7) . . . ? C8 C11 C9 100.02(8) . . . ? C8 C11 C9 79.33(6) . . . ? C8 C11 C10 18.25(3) . . . ? C8 C11 H2 98.6(4) . . . no C8 C11 H2 134.3(4) . . . no C8 C11 H3 118.1(4) . . . no C8 C11 H3 85.5(4) . . . no C8 C11 H4 153.6(4) . . . no C8 C11 H5 149.6(5) . . . no C8 C11 H5 171.5(4) . . . no C8 C11 H6 123.7(3) . . . no C8 C11 H6 109.9(3) . . . no C8 C11 H7 30.7(5) . . . no C8 C11 H7 67.2(5) . . . no C8 C11 H7 89.5(3) . . . no C8 C11 H7 75.2(3) . . . no C8 C11 H8 95.3(14) . . . no C8 C11 H8 127.2(14) . . . no C8 C11 H9 106.8(16) . . . no C8 C11 C9 46.09(7) 4 4 4 ? C8 C11 C9 9.59(5) 4 4 4 ? C8 C11 C9 79.33(6) 4 4 4 ? C8 C11 C9 100.02(8) 4 4 4 ? C8 C11 C10 18.25(3) 4 4 4 ? C8 C11 H2 134.3(4) 4 4 4 no C8 C11 H2 98.6(4) 4 4 4 no C8 C11 H3 85.5(4) 4 4 4 no C8 C11 H3 118.1(4) 4 4 4 no C8 C11 H4 153.6(4) 4 4 4 no C8 C11 H5 171.5(4) 4 4 4 no C8 C11 H5 149.6(5) 4 4 4 no C8 C11 H6 109.9(3) 4 4 4 no C8 C11 H6 123.7(3) 4 4 4 no C8 C11 H7 67.2(5) 4 4 4 no C8 C11 H7 30.7(5) 4 4 4 no C8 C11 H7 75.2(3) 4 4 4 no C8 C11 H7 89.5(3) 4 4 4 no C8 C11 H8 127.2(14) 4 4 4 no C8 C11 H8 95.3(14) 4 4 4 no C8 C11 H9 106.8(16) 4 4 4 no C9 C11 C9 55.68(10) . . . ? C9 C11 C9 105.08(11) . . . ? C9 C11 C9 74.01(9) . . . ? C9 C11 C10 27.84(5) . . . ? C9 C11 H2 89.2(4) . . . no C9 C11 H2 143.6(4) . . . no C9 C11 H3 126.4(5) . . . no C9 C11 H3 77.0(4) . . . no C9 C11 H4 146.6(3) . . . no C9 C11 H5 140.1(5) . . . no C9 C11 H5 163.0(4) . . . no C9 C11 H6 125.1(3) . . . no C9 C11 H6 104.7(3) . . . no C9 C11 H7 21.1(5) . . . no C9 C11 H7 76.7(5) . . . no C9 C11 H7 93.3(4) . . . no C9 C11 H7 72.0(3) . . . no C9 C11 H8 86.6(14) . . . no C9 C11 H8 134.9(14) . . . no C9 C11 H9 105.8(15) . . . no C9 C11 C9 74.01(9) 4 4 4 ? C9 C11 C9 105.08(11) 4 4 4 ? C9 C11 C10 27.84(5) 4 4 4 ? C9 C11 H2 143.6(4) 4 4 4 no C9 C11 H2 89.2(4) 4 4 4 no C9 C11 H3 77.0(4) 4 4 4 no C9 C11 H3 126.4(5) 4 4 4 no C9 C11 H4 146.6(3) 4 4 4 no C9 C11 H5 163.0(4) 4 4 4 no C9 C11 H5 140.1(5) 4 4 4 no C9 C11 H6 104.7(3) 4 4 4 no C9 C11 H6 125.1(3) 4 4 4 no C9 C11 H7 76.7(5) 4 4 4 no C9 C11 H7 21.1(5) 4 4 4 no C9 C11 H7 72.0(3) 4 4 4 no C9 C11 H7 93.3(4) 4 4 4 no C9 C11 H8 134.9(14) 4 4 4 no C9 C11 H8 86.6(14) 4 4 4 no C9 C11 H9 105.8(15) 4 4 4 no C9 C11 C9 69.98(9) 2_657 2_657 2_657 ? C9 C11 C10 89.3(2) 2_657 2_657 2_657 ? C9 C11 H2 130.4(5) 2_657 2_657 2_657 no C9 C11 H2 69.0(4) 2_657 2_657 2_657 no C9 C11 H3 81.8(4) 2_657 2_657 2_657 no C9 C11 H3 149.4(5) 2_657 2_657 2_657 no C9 C11 H4 106.1(4) 2_657 2_657 2_657 no C9 C11 H5 92.5(4) 2_657 2_657 2_657 no C9 C11 H5 79.2(5) 2_657 2_657 2_657 no C9 C11 H6 30.7(3) 2_657 2_657 2_657 no C9 C11 H6 62.2(3) 2_657 2_657 2_657 no C9 C11 H7 115.3(4) 2_657 2_657 2_657 no C9 C11 H7 64.1(4) 2_657 2_657 2_657 no C9 C11 H7 13.9(4) 2_657 2_657 2_657 no C9 C11 H7 58.7(4) 2_657 2_657 2_657 no C9 C11 H8 96.3(16) 2_657 2_657 2_657 no C9 C11 H8 34.0(15) 2_657 2_657 2_657 no C9 C11 H9 141.5(7) 2_657 2_657 2_657 no C9 C11 C10 89.3(2) 3_657 3_657 3_657 ? C9 C11 H2 69.0(4) 3_657 3_657 3_657 no C9 C11 H2 130.4(5) 3_657 3_657 3_657 no C9 C11 H3 149.4(5) 3_657 3_657 3_657 no C9 C11 H3 81.8(4) 3_657 3_657 3_657 no C9 C11 H4 106.1(4) 3_657 3_657 3_657 no C9 C11 H5 79.2(5) 3_657 3_657 3_657 no C9 C11 H5 92.5(4) 3_657 3_657 3_657 no C9 C11 H6 62.2(3) 3_657 3_657 3_657 no C9 C11 H6 30.7(3) 3_657 3_657 3_657 no C9 C11 H7 64.1(4) 3_657 3_657 3_657 no C9 C11 H7 115.3(4) 3_657 3_657 3_657 no C9 C11 H7 58.7(4) 3_657 3_657 3_657 no C9 C11 H7 13.9(4) 3_657 3_657 3_657 no C9 C11 H8 34.0(15) 3_657 3_657 3_657 no C9 C11 H8 96.3(16) 3_657 3_657 3_657 no C9 C11 H9 141.5(7) 3_657 3_657 3_657 no C10 C11 H2 116.6(4) . . . no C10 C11 H2 116.6(4) . . . no C10 C11 H3 102.1(5) . . . no C10 C11 H3 102.1(5) . . . no C10 C11 H4 161.0(6) . . . no C10 C11 H5 166.9(5) . . . no C10 C11 H5 166.9(5) . . . no C10 C11 H6 117.7(3) . . . no C10 C11 H6 117.7(3) . . . no C10 C11 H7 48.9(5) . . . no C10 C11 H7 48.9(5) . . . no C10 C11 H7 81.6(4) . . . no C10 C11 H7 81.6(4) . . . no C10 C11 H8 111.3(14) . . . no C10 C11 H8 111.3(14) . . . no C10 C11 H9 108.1(17) . . . no H2 C11 H2 122.8(7) 2_747 2_747 2_747 no H2 C11 H3 126.9(5) 2_747 2_747 2_747 no H2 C11 H3 20.5(5) 2_747 2_747 2_747 no H2 C11 H4 61.4(3) 2_747 2_747 2_747 no H2 C11 H5 53.4(6) 2_747 2_747 2_747 no H2 C11 H5 76.1(6) 2_747 2_747 2_747 no H2 C11 H6 103.4(6) 2_747 2_747 2_747 no H2 C11 H6 68.2(5) 2_747 2_747 2_747 no H2 C11 H7 68.4(6) 2_747 2_747 2_747 no H2 C11 H7 162.8(7) 2_747 2_747 2_747 no H2 C11 H7 124.4(6) 2_747 2_747 2_747 no H2 C11 H7 82.8(6) 2_747 2_747 2_747 no H2 C11 H8 36.3(16) 2_747 2_747 2_747 no H2 C11 H8 129.1(16) 2_747 2_747 2_747 no H2 C11 H9 72.5(8) 2_747 2_747 2_747 no H2 C11 H3 20.5(5) 2_757 2_757 2_757 no H2 C11 H3 126.9(5) 2_757 2_757 2_757 no H2 C11 H4 61.4(3) 2_757 2_757 2_757 no H2 C11 H5 76.1(6) 2_757 2_757 2_757 no H2 C11 H5 53.4(6) 2_757 2_757 2_757 no H2 C11 H6 68.2(5) 2_757 2_757 2_757 no H2 C11 H6 103.4(6) 2_757 2_757 2_757 no H2 C11 H7 162.8(7) 2_757 2_757 2_757 no H2 C11 H7 68.4(6) 2_757 2_757 2_757 no H2 C11 H7 82.8(6) 2_757 2_757 2_757 no H2 C11 H7 124.4(6) 2_757 2_757 2_757 no H2 C11 H8 129.1(16) 2_757 2_757 2_757 no H2 C11 H8 36.3(16) 2_757 2_757 2_757 no H2 C11 H9 72.5(8) 2_757 2_757 2_757 no H3 C11 H3 122.2(9) 2_757 2_757 2_757 no H3 C11 H4 70.1(5) 2_757 2_757 2_757 no H3 C11 H5 91.0(7) 2_757 2_757 2_757 no H3 C11 H5 70.3(6) 2_757 2_757 2_757 no H3 C11 H6 87.5(6) 2_757 2_757 2_757 no H3 C11 H6 123.9(6) 2_757 2_757 2_757 no H3 C11 H7 142.8(6) 2_757 2_757 2_757 no H3 C11 H7 58.5(6) 2_757 2_757 2_757 no H3 C11 H7 94.6(6) 2_757 2_757 2_757 no H3 C11 H7 140.4(6) 2_757 2_757 2_757 no H3 C11 H8 146.5(14) 2_757 2_757 2_757 no H3 C11 H8 53.2(16) 2_757 2_757 2_757 no H3 C11 H9 61.4(5) 2_757 2_757 2_757 no H3 C11 H4 70.1(5) 3_757 3_757 3_757 no H3 C11 H5 70.3(6) 3_757 3_757 3_757 no H3 C11 H5 91.0(7) 3_757 3_757 3_757 no H3 C11 H6 123.9(6) 3_757 3_757 3_757 no H3 C11 H6 87.5(6) 3_757 3_757 3_757 no H3 C11 H7 58.5(6) 3_757 3_757 3_757 no H3 C11 H7 142.8(6) 3_757 3_757 3_757 no H3 C11 H7 140.4(6) 3_757 3_757 3_757 no H3 C11 H7 94.6(6) 3_757 3_757 3_757 no H3 C11 H8 53.2(16) 3_757 3_757 3_757 no H3 C11 H8 146.5(14) 3_757 3_757 3_757 no H3 C11 H9 61.4(5) 3_757 3_757 3_757 no H4 C11 H5 27.4(6) 1_556 1_556 1_556 no H4 C11 H5 27.4(6) 1_556 1_556 1_556 no H4 C11 H6 80.0(6) 1_556 1_556 1_556 no H4 C11 H6 80.0(6) 1_556 1_556 1_556 no H4 C11 H7 128.4(5) 1_556 1_556 1_556 no H4 C11 H7 128.4(5) 1_556 1_556 1_556 no H4 C11 H7 115.7(6) 1_556 1_556 1_556 no H4 C11 H7 115.7(6) 1_556 1_556 1_556 no H4 C11 H8 78.5(14) 1_556 1_556 1_556 no H4 C11 H8 78.5(14) 1_556 1_556 1_556 no H4 C11 H9 52.9(18) 1_556 1_556 1_556 no H5 C11 H5 23.4(9) 1_556 1_556 1_556 no H5 C11 H6 62.2(5) 1_556 1_556 1_556 no H5 C11 H6 52.7(5) 1_556 1_556 1_556 no H5 C11 H7 119.2(6) 1_556 1_556 1_556 no H5 C11 H7 142.5(7) 1_556 1_556 1_556 no H5 C11 H7 97.4(5) 1_556 1_556 1_556 no H5 C11 H7 88.3(6) 1_556 1_556 1_556 no H5 C11 H8 55.6(15) 1_556 1_556 1_556 no H5 C11 H8 76.5(15) 1_556 1_556 1_556 no H5 C11 H9 78.1(17) 1_556 1_556 1_556 no H5 C11 H6 52.7(5) 4_556 4_556 4_556 no H5 C11 H6 62.2(5) 4_556 4_556 4_556 no H5 C11 H7 142.5(7) 4_556 4_556 4_556 no H5 C11 H7 119.2(6) 4_556 4_556 4_556 no H5 C11 H7 88.3(6) 4_556 4_556 4_556 no H5 C11 H7 97.4(5) 4_556 4_556 4_556 no H5 C11 H8 76.5(15) 4_556 4_556 4_556 no H5 C11 H8 55.6(15) 4_556 4_556 4_556 no H5 C11 H9 78.1(17) 4_556 4_556 4_556 no H6 C11 H6 40.1(7) 2_657 2_657 2_657 no H6 C11 H7 124.5(5) 2_657 2_657 2_657 no H6 C11 H7 92.8(5) 2_657 2_657 2_657 no H6 C11 H7 36.1(4) 2_657 2_657 2_657 no H6 C11 H7 57.5(5) 2_657 2_657 2_657 no H6 C11 H8 75.4(16) 2_657 2_657 2_657 no H6 C11 H8 35.6(16) 2_657 2_657 2_657 no H6 C11 H9 129.1(15) 2_657 2_657 2_657 no H6 C11 H7 92.8(5) 3_657 3_657 3_657 no H6 C11 H7 124.5(5) 3_657 3_657 3_657 no H6 C11 H7 57.5(5) 3_657 3_657 3_657 no H6 C11 H7 36.1(4) 3_657 3_657 3_657 no H6 C11 H8 35.6(16) 3_657 3_657 3_657 no H6 C11 H8 75.4(16) 3_657 3_657 3_657 no H6 C11 H9 129.1(15) 3_657 3_657 3_657 no H7 C11 H7 97.8(10) . . . no H7 C11 H7 101.7(4) . . . no H7 C11 H7 67.1(6) . . . no H7 C11 H8 67.9(15) . . . no H7 C11 H8 149.0(16) . . . no H7 C11 H9 101.6(12) . . . no H7 C11 H7 67.1(6) 4 4 4 no H7 C11 H7 101.7(4) 4 4 4 no H7 C11 H8 149.0(16) 4 4 4 no H7 C11 H8 67.9(15) 4 4 4 no H7 C11 H9 101.6(12) 4 4 4 no H7 C11 H7 46.3(8) 2_657 2_657 2_657 no H7 C11 H8 88.4(16) 2_657 2_657 2_657 no H7 C11 H8 47.7(16) 2_657 2_657 2_657 no H7 C11 H9 155.2(7) 2_657 2_657 2_657 no H7 C11 H8 47.7(16) 3_657 3_657 3_657 no H7 C11 H8 88.4(16) 3_657 3_657 3_657 no H7 C11 H9 155.2(7) 3_657 3_657 3_657 no H8 C11 H8 109.9(31) . . . no H8 C11 H9 108.0(17) . . . no H8 C11 H9 108.0(17) 4 4 4 no CL1 H1 O1 75.6(6) 2_746 2_746 2_746 no CL1 H1 N1 162.3(7) 2_746 2_746 2_746 no CL1 H1 N2 119.4(6) 2_746 2_746 2_746 no CL1 H1 C1 140.6(6) 2_746 2_746 2_746 no CL1 H1 C1 64.6(4) 2_746 2_746 2_746 no CL1 H1 C2 104.1(8) 2_746 2_746 2_746 no CL1 H1 C2 65.4(3) 2_746 2_746 2_746 no CL1 H1 C2 65.4(3) 2_746 2_746 2_746 no CL1 H1 C3 138.5(16) 2_746 2_746 2_746 no CL1 H1 C3 62.3(3) 2_746 2_746 2_746 no CL1 H1 C3 62.3(3) 2_746 2_746 2_746 no CL1 H1 C4 176.8(10) 2_746 2_746 2_746 no CL1 H1 C5 149.3(9) 2_746 2_746 2_746 no CL1 H1 C6 72.0(5) 2_746 2_746 2_746 no CL1 H1 C6 86.1(4) 2_746 2_746 2_746 no CL1 H1 C6 86.1(4) 2_746 2_746 2_746 no CL1 H1 H1 72.8(7) 2_746 2_746 2_746 no CL1 H1 H1 72.8(7) 2_746 2_746 2_746 no CL1 H1 H2 130.7(12) 2_746 2_746 2_746 no CL1 H1 H3 148.5(8) 2_746 2_746 2_746 no CL1 H1 H3 148.5(8) 2_746 2_746 2_746 no CL1 H1 H4 53.6(8) 2_746 2_746 2_746 no CL1 H1 H4 96.1(6) 2_746 2_746 2_746 no CL1 H1 H4 96.1(6) 2_746 2_746 2_746 no CL1 H1 H5 75.0(6) 2_746 2_746 2_746 no CL1 H1 H5 75.0(6) 2_746 2_746 2_746 no CL1 H1 H5 86.6(6) 2_746 2_746 2_746 no CL1 H1 H5 86.6(6) 2_746 2_746 2_746 no CL1 H1 H10 112.0(7) 2_746 2_746 2_746 no CL1 H1 H10 35.2(5) 2_746 2_746 2_746 no O1 H1 N1 122.2(7) 1_655 1_655 1_655 no O1 H1 N2 165.1(8) 1_655 1_655 1_655 no O1 H1 C1 143.8(7) 1_655 1_655 1_655 no O1 H1 C1 11.0(2) 1_655 1_655 1_655 no O1 H1 C2 179.7(11) 1_655 1_655 1_655 no O1 H1 C2 71.3(4) 1_655 1_655 1_655 no O1 H1 C2 71.3(4) 1_655 1_655 1_655 no O1 H1 C3 145.9(17) 1_655 1_655 1_655 no O1 H1 C3 90.5(4) 1_655 1_655 1_655 no O1 H1 C3 90.5(4) 1_655 1_655 1_655 no O1 H1 C4 107.6(8) 1_655 1_655 1_655 no O1 H1 C5 73.7(5) 1_655 1_655 1_655 no O1 H1 C6 147.6(9) 1_655 1_655 1_655 no O1 H1 C6 65.7(3) 1_655 1_655 1_655 no O1 H1 C6 65.7(3) 1_655 1_655 1_655 no O1 H1 H1 102.3(8) 1_655 1_655 1_655 no O1 H1 H1 102.3(8) 1_655 1_655 1_655 no O1 H1 H2 55.2(9) 1_655 1_655 1_655 no O1 H1 H3 75.8(6) 1_655 1_655 1_655 no O1 H1 H3 75.8(6) 1_655 1_655 1_655 no O1 H1 H4 129.1(12) 1_655 1_655 1_655 no O1 H1 H4 77.3(6) 1_655 1_655 1_655 no O1 H1 H4 77.3(6) 1_655 1_655 1_655 no O1 H1 H5 148.5(8) 1_655 1_655 1_655 no O1 H1 H5 148.5(8) 1_655 1_655 1_655 no O1 H1 H5 51.6(5) 1_655 1_655 1_655 no O1 H1 H5 51.6(5) 1_655 1_655 1_655 no O1 H1 H10 172.5(9) 1_655 1_655 1_655 no O1 H1 H10 40.4(5) 1_655 1_655 1_655 no N1 H1 N2 42.9(3) . . . no N1 H1 C1 21.6(2) . . . no N1 H1 C1 133.1(6) . . . no N1 H1 C2 58.2(6) . . . no N1 H1 C2 117.6(3) . . . no N1 H1 C2 117.6(3) . . . no N1 H1 C3 23.7(10) . . . no N1 H1 C3 113.8(4) . . . no N1 H1 C3 113.8(4) . . . no N1 H1 C4 14.5(3) . . . no N1 H1 C5 48.5(4) . . . no N1 H1 C6 90.2(7) . . . no N1 H1 C6 100.9(4) . . . no N1 H1 C6 100.9(4) . . . no N1 H1 H1 101.1(8) . . . no N1 H1 H1 101.1(8) . . . no N1 H1 H2 67.0(9) . . . no N1 H1 H3 48.1(5) . . . no N1 H1 H3 48.1(5) . . . no N1 H1 H4 108.7(11) . . . no N1 H1 H4 88.7(6) . . . no N1 H1 H4 88.7(6) . . . no N1 H1 H5 87.6(7) . . . no N1 H1 H5 87.6(7) . . . no N1 H1 H5 104.3(6) . . . no N1 H1 H5 104.3(6) . . . no N1 H1 H10 50.3(5) . . . no N1 H1 H10 162.6(8) . . . no N2 H1 C1 21.3(2) . . . no N2 H1 C1 176.0(7) . . . no N2 H1 C2 15.3(3) . . . no N2 H1 C2 113.5(3) . . . no N2 H1 C2 113.5(3) . . . no N2 H1 C3 19.2(10) . . . no N2 H1 C3 96.7(4) . . . no N2 H1 C3 96.7(4) . . . no N2 H1 C4 57.5(6) . . . no N2 H1 C5 91.4(7) . . . no N2 H1 C6 47.3(4) . . . no N2 H1 C6 112.8(4) . . . no N2 H1 C6 112.8(4) . . . no N2 H1 H1 83.5(7) . . . no N2 H1 H1 83.5(7) . . . no N2 H1 H2 109.9(11) . . . no N2 H1 H3 89.7(7) . . . no N2 H1 H3 89.7(7) . . . no N2 H1 H4 65.8(9) . . . no N2 H1 H4 99.8(6) . . . no N2 H1 H4 99.8(6) . . . no N2 H1 H5 45.7(5) . . . no N2 H1 H5 45.7(5) . . . no N2 H1 H5 125.1(6) . . . no N2 H1 H5 125.1(6) . . . no N2 H1 H10 7.4(4) . . . no N2 H1 H10 154.5(8) . . . no C1 H1 C1 154.8(6) . . . no C1 H1 C2 36.6(4) . . . no C1 H1 C2 117.6(3) . . . no C1 H1 C2 117.6(3) . . . no C1 H1 C3 2.1(10) . . . no C1 H1 C3 106.1(4) . . . no C1 H1 C3 106.1(4) . . . no C1 H1 C4 36.2(5) . . . no C1 H1 C5 70.1(5) . . . no C1 H1 C6 68.6(5) . . . no C1 H1 C6 108.1(4) . . . no C1 H1 C6 108.1(4) . . . no C1 H1 H1 92.3(8) . . . no C1 H1 H1 92.3(8) . . . no C1 H1 H2 88.6(10) . . . no C1 H1 H3 69.0(6) . . . no C1 H1 H3 69.0(6) . . . no C1 H1 H4 87.1(10) . . . no C1 H1 H4 94.6(7) . . . no C1 H1 H4 94.6(7) . . . no C1 H1 H5 66.4(5) . . . no C1 H1 H5 66.4(5) . . . no C1 H1 H5 116.3(6) . . . no C1 H1 H5 116.3(6) . . . no C1 H1 H10 28.7(4) . . . no C1 H1 H10 175.8(8) . . . no C1 H1 C2 168.7(9) 1_655 1_655 1_655 no C1 H1 C2 67.6(3) 1_655 1_655 1_655 no C1 H1 C2 67.6(3) 1_655 1_655 1_655 no C1 H1 C3 156.9(16) 1_655 1_655 1_655 no C1 H1 C3 85.2(4) 1_655 1_655 1_655 no C1 H1 C3 85.2(4) 1_655 1_655 1_655 no C1 H1 C4 118.6(8) 1_655 1_655 1_655 no C1 H1 C5 84.7(6) 1_655 1_655 1_655 no C1 H1 C6 136.6(8) 1_655 1_655 1_655 no C1 H1 C6 66.6(3) 1_655 1_655 1_655 no C1 H1 C6 66.6(3) 1_655 1_655 1_655 no C1 H1 H1 98.1(8) 1_655 1_655 1_655 no C1 H1 H1 98.1(8) 1_655 1_655 1_655 no C1 H1 H2 66.1(9) 1_655 1_655 1_655 no C1 H1 H3 86.5(6) 1_655 1_655 1_655 no C1 H1 H3 86.5(6) 1_655 1_655 1_655 no C1 H1 H4 118.2(11) 1_655 1_655 1_655 no C1 H1 H4 79.4(6) 1_655 1_655 1_655 no C1 H1 H4 79.4(6) 1_655 1_655 1_655 no C1 H1 H5 138.1(7) 1_655 1_655 1_655 no C1 H1 H5 138.1(7) 1_655 1_655 1_655 no C1 H1 H5 53.8(6) 1_655 1_655 1_655 no C1 H1 H5 53.8(6) 1_655 1_655 1_655 no C1 H1 H10 176.6(8) 1_655 1_655 1_655 no C1 H1 H10 29.4(5) 1_655 1_655 1_655 no C2 H1 C2 108.6(4) . . . no C2 H1 C2 108.6(4) . . . no C2 H1 C3 34.5(9) . . . no C2 H1 C3 89.4(4) . . . no C2 H1 C3 89.4(4) . . . no C2 H1 C4 72.7(8) . . . no C2 H1 C5 106.7(10) . . . no C2 H1 C6 32.0(3) . . . no C2 H1 C6 114.3(3) . . . no C2 H1 C6 114.3(3) . . . no C2 H1 H1 77.6(7) . . . no C2 H1 H1 77.6(7) . . . no C2 H1 H2 125.2(13) . . . no C2 H1 H3 104.6(9) . . . no C2 H1 H3 104.6(9) . . . no C2 H1 H4 50.5(9) . . . no C2 H1 H4 102.8(6) . . . no C2 H1 H4 102.8(6) . . . no C2 H1 H5 31.2(5) . . . no C2 H1 H5 31.2(5) . . . no C2 H1 H5 128.5(6) . . . no C2 H1 H5 128.5(6) . . . no C2 H1 H10 7.9(5) . . . no C2 H1 H10 139.2(10) . . . no C2 H1 C2 123.7(6) 2_746 2_746 2_746 no C2 H1 C3 117.4(4) 2_746 2_746 2_746 no C2 H1 C3 20.46(8) 2_746 2_746 2_746 no C2 H1 C3 127.5(6) 2_746 2_746 2_746 no C2 H1 C4 115.3(3) 2_746 2_746 2_746 no C2 H1 C5 104.1(4) 2_746 2_746 2_746 no C2 H1 C6 94.9(4) 2_746 2_746 2_746 no C2 H1 C6 22.67(8) 2_746 2_746 2_746 no C2 H1 C6 133.1(7) 2_746 2_746 2_746 no C2 H1 H1 31.0(4) 2_746 2_746 2_746 no C2 H1 H1 138.1(10) 2_746 2_746 2_746 no C2 H1 H2 95.8(6) 2_746 2_746 2_746 no C2 H1 H3 93.0(5) 2_746 2_746 2_746 no C2 H1 H3 116.4(6) 2_746 2_746 2_746 no C2 H1 H4 86.2(5) 2_746 2_746 2_746 no C2 H1 H4 30.6(5) 2_746 2_746 2_746 no C2 H1 H4 146.6(9) 2_746 2_746 2_746 no C2 H1 H5 86.3(5) 2_746 2_746 2_746 no C2 H1 H5 105.9(6) 2_746 2_746 2_746 no C2 H1 H5 121.4(8) 2_746 2_746 2_746 no C2 H1 H5 31.8(4) 2_746 2_746 2_746 no C2 H1 H10 111.3(4) 2_746 2_746 2_746 no C2 H1 H10 62.0(3) 2_746 2_746 2_746 no C2 H1 C3 117.4(4) 2_756 2_756 2_756 no C2 H1 C3 127.5(6) 2_756 2_756 2_756 no C2 H1 C3 20.46(8) 2_756 2_756 2_756 no C2 H1 C4 115.3(3) 2_756 2_756 2_756 no C2 H1 C5 104.1(4) 2_756 2_756 2_756 no C2 H1 C6 94.9(4) 2_756 2_756 2_756 no C2 H1 C6 133.1(7) 2_756 2_756 2_756 no C2 H1 C6 22.67(8) 2_756 2_756 2_756 no C2 H1 H1 138.1(10) 2_756 2_756 2_756 no C2 H1 H1 31.0(4) 2_756 2_756 2_756 no C2 H1 H2 95.8(6) 2_756 2_756 2_756 no C2 H1 H3 116.4(6) 2_756 2_756 2_756 no C2 H1 H3 93.0(5) 2_756 2_756 2_756 no C2 H1 H4 86.2(5) 2_756 2_756 2_756 no C2 H1 H4 146.6(9) 2_756 2_756 2_756 no C2 H1 H4 30.6(5) 2_756 2_756 2_756 no C2 H1 H5 105.9(6) 2_756 2_756 2_756 no C2 H1 H5 86.3(5) 2_756 2_756 2_756 no C2 H1 H5 31.8(4) 2_756 2_756 2_756 no C2 H1 H5 121.4(8) 2_756 2_756 2_756 no C2 H1 H10 111.3(4) 2_756 2_756 2_756 no C2 H1 H10 62.0(3) 2_756 2_756 2_756 no C3 H1 C3 105.3(7) . . . no C3 H1 C3 105.3(7) . . . no C3 H1 C4 38.3(10) . . . no C3 H1 C5 72.2(13) . . . no C3 H1 C6 66.5(12) . . . no C3 H1 C6 108.7(5) . . . no C3 H1 C6 108.7(5) . . . no C3 H1 H1 91.5(9) . . . no C3 H1 H1 91.5(9) . . . no C3 H1 H2 90.7(16) . . . no C3 H1 H3 71.0(13) . . . no C3 H1 H3 71.0(13) . . . no C3 H1 H4 85.0(16) . . . no C3 H1 H4 95.1(7) . . . no C3 H1 H4 95.1(7) . . . no C3 H1 H5 64.3(12) . . . no C3 H1 H5 64.3(12) . . . no C3 H1 H5 117.3(9) . . . no C3 H1 H5 117.3(9) . . . no C3 H1 H10 26.6(11) . . . no C3 H1 H10 173.7(17) . . . no C3 H1 C3 122.4(6) 2_746 2_746 2_746 no C3 H1 C4 117.2(4) 2_746 2_746 2_746 no C3 H1 C5 117.7(3) 2_746 2_746 2_746 no C3 H1 C6 74.6(3) 2_746 2_746 2_746 no C3 H1 C6 38.89(10) 2_746 2_746 2_746 no C3 H1 C6 144.9(7) 2_746 2_746 2_746 no C3 H1 H1 13.8(4) 2_746 2_746 2_746 no C3 H1 H1 128.3(9) 2_746 2_746 2_746 no C3 H1 H2 113.6(4) 2_746 2_746 2_746 no C3 H1 H3 105.1(5) 2_746 2_746 2_746 no C3 H1 H3 130.7(6) 2_746 2_746 2_746 no C3 H1 H4 67.7(4) 2_746 2_746 2_746 no C3 H1 H4 40.5(5) 2_746 2_746 2_746 no C3 H1 H4 157.5(9) 2_746 2_746 2_746 no C3 H1 H5 65.8(5) 2_746 2_746 2_746 no C3 H1 H5 85.8(6) 2_746 2_746 2_746 no C3 H1 H5 137.2(9) 2_746 2_746 2_746 no C3 H1 H5 51.1(4) 2_746 2_746 2_746 no C3 H1 H10 93.2(4) 2_746 2_746 2_746 no C3 H1 H10 72.2(4) 2_746 2_746 2_746 no C3 H1 C4 117.2(4) 2_756 2_756 2_756 no C3 H1 C5 117.7(3) 2_756 2_756 2_756 no C3 H1 C6 74.6(3) 2_756 2_756 2_756 no C3 H1 C6 144.9(7) 2_756 2_756 2_756 no C3 H1 C6 38.89(10) 2_756 2_756 2_756 no C3 H1 H1 128.3(9) 2_756 2_756 2_756 no C3 H1 H1 13.8(4) 2_756 2_756 2_756 no C3 H1 H2 113.6(4) 2_756 2_756 2_756 no C3 H1 H3 130.7(6) 2_756 2_756 2_756 no C3 H1 H3 105.1(5) 2_756 2_756 2_756 no C3 H1 H4 67.7(4) 2_756 2_756 2_756 no C3 H1 H4 157.5(9) 2_756 2_756 2_756 no C3 H1 H4 40.5(5) 2_756 2_756 2_756 no C3 H1 H5 85.8(6) 2_756 2_756 2_756 no C3 H1 H5 65.8(5) 2_756 2_756 2_756 no C3 H1 H5 51.1(4) 2_756 2_756 2_756 no C3 H1 H5 137.2(9) 2_756 2_756 2_756 no C3 H1 H10 93.2(4) 2_756 2_756 2_756 no C3 H1 H10 72.2(4) 2_756 2_756 2_756 no C4 H1 C5 33.9(4) . . . no C4 H1 C6 104.8(9) . . . no C4 H1 C6 95.2(4) . . . no C4 H1 C6 95.2(4) . . . no C4 H1 H1 106.2(8) . . . no C4 H1 H1 106.2(8) . . . no C4 H1 H2 52.5(9) . . . no C4 H1 H3 34.4(5) . . . no C4 H1 H3 34.4(5) . . . no C4 H1 H4 123.2(13) . . . no C4 H1 H4 84.8(6) . . . no C4 H1 H4 84.8(6) . . . no C4 H1 H5 101.8(9) . . . no C4 H1 H5 101.8(9) . . . no C4 H1 H5 95.4(7) . . . no C4 H1 H5 95.4(7) . . . no C4 H1 H10 64.9(7) . . . no C4 H1 H10 148.0(10) . . . no C5 H1 C6 138.7(10) . . . no C5 H1 C6 81.5(4) . . . no C5 H1 C6 81.5(4) . . . no C5 H1 H1 113.9(6) . . . no C5 H1 H1 113.9(6) . . . no C5 H1 H2 18.5(7) . . . no C5 H1 H3 13.0(4) . . . no C5 H1 H3 13.0(4) . . . no C5 H1 H4 157.2(13) . . . no C5 H1 H4 77.2(6) . . . no C5 H1 H4 77.2(6) . . . no C5 H1 H5 134.9(9) . . . no C5 H1 H5 134.9(9) . . . no C5 H1 H5 74.4(5) . . . no C5 H1 H5 74.4(5) . . . no C5 H1 H10 98.8(8) . . . no C5 H1 H10 114.1(8) . . . no C6 H1 C6 111.4(3) . . . no C6 H1 C6 111.4(3) . . . no C6 H1 H1 68.1(6) . . . no C6 H1 H1 68.1(6) . . . no C6 H1 H2 157.2(13) . . . no C6 H1 H3 135.5(9) . . . no C6 H1 H3 135.5(9) . . . no C6 H1 H4 18.5(7) . . . no C6 H1 H4 105.9(5) . . . no C6 H1 H4 105.9(5) . . . no C6 H1 H5 11.4(4) . . . no C6 H1 H5 11.4(4) . . . no C6 H1 H5 125.3(5) . . . no C6 H1 H5 125.3(5) . . . no C6 H1 H10 39.9(5) . . . no C6 H1 H10 107.2(8) . . . no C6 H1 C6 131.3(6) 2_746 2_746 2_746 no C6 H1 H1 43.3(3) 2_746 2_746 2_746 no C6 H1 H1 158.0(11) 2_746 2_746 2_746 no C6 H1 H2 74.7(4) 2_746 2_746 2_746 no C6 H1 H3 70.3(5) 2_746 2_746 2_746 no C6 H1 H3 94.0(6) 2_746 2_746 2_746 no C6 H1 H4 106.6(4) 2_746 2_746 2_746 no C6 H1 H4 13.6(5) 2_746 2_746 2_746 no C6 H1 H4 141.2(8) 2_746 2_746 2_746 no C6 H1 H5 101.1(5) 2_746 2_746 2_746 no C6 H1 H5 122.8(6) 2_746 2_746 2_746 no C6 H1 H5 116.7(8) 2_746 2_746 2_746 no C6 H1 H5 14.8(4) 2_746 2_746 2_746 no C6 H1 H10 113.7(3) 2_746 2_746 2_746 no C6 H1 H10 73.1(4) 2_746 2_746 2_746 no C6 H1 H1 158.0(11) 2_756 2_756 2_756 no C6 H1 H1 43.3(3) 2_756 2_756 2_756 no C6 H1 H2 74.7(4) 2_756 2_756 2_756 no C6 H1 H3 94.0(6) 2_756 2_756 2_756 no C6 H1 H3 70.3(5) 2_756 2_756 2_756 no C6 H1 H4 106.6(4) 2_756 2_756 2_756 no C6 H1 H4 141.2(8) 2_756 2_756 2_756 no C6 H1 H4 13.6(5) 2_756 2_756 2_756 no C6 H1 H5 122.8(6) 2_756 2_756 2_756 no C6 H1 H5 101.1(5) 2_756 2_756 2_756 no C6 H1 H5 14.8(4) 2_756 2_756 2_756 no C6 H1 H5 116.7(8) 2_756 2_756 2_756 no C6 H1 H10 113.7(3) 2_756 2_756 2_756 no C6 H1 H10 73.1(4) 2_756 2_756 2_756 no H1 H1 H1 130.5(12) 2_746 2_746 2_746 no H1 H1 H2 114.7(6) 2_746 2_746 2_746 no H1 H1 H3 100.9(7) 2_746 2_746 2_746 no H1 H1 H3 126.5(8) 2_746 2_746 2_746 no H1 H1 H4 65.5(6) 2_746 2_746 2_746 no H1 H1 H4 40.0(5) 2_746 2_746 2_746 no H1 H1 H4 168.4(11) 2_746 2_746 2_746 no H1 H1 H5 57.9(7) 2_746 2_746 2_746 no H1 H1 H5 79.5(8) 2_746 2_746 2_746 no H1 H1 H5 150.9(12) 2_746 2_746 2_746 no H1 H1 H5 57.5(5) 2_746 2_746 2_746 no H1 H1 H10 80.6(7) 2_746 2_746 2_746 no H1 H1 H10 85.9(8) 2_746 2_746 2_746 no H1 H1 H2 114.7(6) 2_756 2_756 2_756 no H1 H1 H3 126.5(8) 2_756 2_756 2_756 no H1 H1 H3 100.9(7) 2_756 2_756 2_756 no H1 H1 H4 65.5(6) 2_756 2_756 2_756 no H1 H1 H4 168.4(11) 2_756 2_756 2_756 no H1 H1 H4 40.0(5) 2_756 2_756 2_756 no H1 H1 H5 79.5(8) 2_756 2_756 2_756 no H1 H1 H5 57.9(7) 2_756 2_756 2_756 no H1 H1 H5 57.5(5) 2_756 2_756 2_756 no H1 H1 H5 150.9(12) 2_756 2_756 2_756 no H1 H1 H10 80.6(7) 2_756 2_756 2_756 no H1 H1 H10 85.9(8) 2_756 2_756 2_756 no H2 H1 H3 23.9(7) . . . no H2 H1 H3 23.9(7) . . . no H2 H1 H4 175.7(16) . . . no H2 H1 H4 74.8(5) . . . no H2 H1 H4 74.8(5) . . . no H2 H1 H5 152.4(12) . . . no H2 H1 H5 152.4(12) . . . no H2 H1 H5 64.1(6) . . . no H2 H1 H5 64.1(6) . . . no H2 H1 H10 117.3(12) . . . no H2 H1 H10 95.6(11) . . . no H3 H1 H3 25.8(9) . . . no H3 H1 H4 152.5(11) . . . no H3 H1 H4 64.9(7) . . . no H3 H1 H4 90.2(8) . . . no H3 H1 H5 128.7(8) . . . no H3 H1 H5 135.3(9) . . . no H3 H1 H5 85.8(7) . . . no H3 H1 H5 65.2(6) . . . no H3 H1 H10 96.9(8) . . . no H3 H1 H10 115.1(9) . . . no H3 H1 H4 152.5(11) 4 4 4 no H3 H1 H4 90.2(8) 4 4 4 no H3 H1 H4 64.9(7) 4 4 4 no H3 H1 H5 135.3(9) 4 4 4 no H3 H1 H5 128.7(8) 4 4 4 no H3 H1 H5 65.2(6) 4 4 4 no H3 H1 H5 85.8(7) 4 4 4 no H3 H1 H10 96.9(8) 4 4 4 no H3 H1 H10 115.1(9) 4 4 4 no H4 H1 H4 105.5(5) . . . no H4 H1 H4 105.5(5) . . . no H4 H1 H5 23.8(8) . . . no H4 H1 H5 23.8(8) . . . no H4 H1 H5 118.0(7) . . . no H4 H1 H5 118.0(7) . . . no H4 H1 H10 58.4(10) . . . no H4 H1 H10 88.7(11) . . . no H4 H1 H4 148.0(11) 2_746 2_746 2_746 no H4 H1 H5 94.8(6) 2_746 2_746 2_746 no H4 H1 H5 116.9(7) 2_746 2_746 2_746 no H4 H1 H5 126.4(9) 2_746 2_746 2_746 no H4 H1 H5 25.8(6) 2_746 2_746 2_746 no H4 H1 H10 101.3(6) 2_746 2_746 2_746 no H4 H1 H10 86.6(7) 2_746 2_746 2_746 no H4 H1 H5 116.9(7) 2_756 2_756 2_756 no H4 H1 H5 94.8(6) 2_756 2_756 2_756 no H4 H1 H5 25.8(6) 2_756 2_756 2_756 no H4 H1 H5 126.4(9) 2_756 2_756 2_756 no H4 H1 H10 101.3(6) 2_756 2_756 2_756 no H4 H1 H10 86.6(7) 2_756 2_756 2_756 no H5 H1 H5 22.2(9) . . . no H5 H1 H5 136.7(8) . . . no H5 H1 H5 115.4(5) . . . no H5 H1 H10 38.6(6) . . . no H5 H1 H10 109.5(8) . . . no H5 H1 H5 115.4(5) 4 4 4 no H5 H1 H5 136.7(8) 4 4 4 no H5 H1 H10 38.6(6) 4 4 4 no H5 H1 H10 109.5(8) 4 4 4 no H5 H1 H5 102.0(10) 2_756 2_756 2_756 no H5 H1 H10 127.1(6) 2_756 2_756 2_756 no H5 H1 H10 65.9(6) 2_756 2_756 2_756 no H5 H1 H10 127.1(6) 3_756 3_756 3_756 no H5 H1 H10 65.9(6) 3_756 3_756 3_756 no H10 H1 H10 147.1(10) . . . no O1 H2 N1 139.8(10) 1_655 1_655 1_655 no O1 H2 C1 5.9(2) 1_655 1_655 1_655 no O1 H2 C2 95.9(8) 1_655 1_655 1_655 no O1 H2 C3 92.0(9) 1_655 1_655 1_655 no O1 H2 C4 124.2(12) 1_655 1_655 1_655 no O1 H2 C5 169.6(24) 1_655 1_655 1_655 no O1 H2 C6 65.9(4) 1_655 1_655 1_655 no O1 H2 C6 65.9(4) 1_655 1_655 1_655 no O1 H2 C7 163.0(10) 1_655 1_655 1_655 no O1 H2 C7 43.6(5) 1_655 1_655 1_655 no O1 H2 C11 102.6(6) 1_655 1_655 1_655 no O1 H2 C11 102.6(6) 1_655 1_655 1_655 no O1 H2 H1 70.7(10) 1_655 1_655 1_655 no O1 H2 H3 148.5(12) 1_655 1_655 1_655 no O1 H2 H3 148.5(12) 1_655 1_655 1_655 no O1 H2 H4 78.1(7) 1_655 1_655 1_655 no O1 H2 H4 78.1(7) 1_655 1_655 1_655 no O1 H2 H5 57.0(7) 1_655 1_655 1_655 no O1 H2 H5 57.0(7) 1_655 1_655 1_655 no O1 H2 H7 124.5(9) 1_655 1_655 1_655 no O1 H2 H7 124.5(9) 1_655 1_655 1_655 no O1 H2 H8 95.6(8) 1_655 1_655 1_655 no O1 H2 H8 95.6(8) 1_655 1_655 1_655 no O1 H2 H9 109.8(6) 1_655 1_655 1_655 no O1 H2 H9 109.8(6) 1_655 1_655 1_655 no N1 H2 C1 145.7(8) . . . no N1 H2 C2 43.9(3) . . . no N1 H2 C3 47.8(5) . . . no N1 H2 C4 15.5(4) . . . no N1 H2 C5 29.8(14) . . . no N1 H2 C6 99.1(5) . . . no N1 H2 C6 99.1(5) . . . no N1 H2 C7 23.3(2) . . . no N1 H2 C7 176.6(9) . . . no N1 H2 C11 96.2(5) . . . no N1 H2 C11 96.2(5) . . . no N1 H2 H1 69.0(9) . . . no N1 H2 H3 56.9(13) . . . no N1 H2 H3 56.9(13) . . . no N1 H2 H4 86.4(7) . . . no N1 H2 H4 86.4(7) . . . no N1 H2 H5 111.3(7) . . . no N1 H2 H5 111.3(7) . . . no N1 H2 H7 92.6(8) . . . no N1 H2 H7 92.6(8) . . . no N1 H2 H8 106.2(8) . . . no N1 H2 H8 106.2(8) . . . no N1 H2 H9 82.5(7) . . . no N1 H2 H9 82.5(7) . . . no C1 H2 C2 101.8(6) 1_655 1_655 1_655 no C1 H2 C3 97.9(8) 1_655 1_655 1_655 no C1 H2 C4 130.1(11) 1_655 1_655 1_655 no C1 H2 C5 175.5(22) 1_655 1_655 1_655 no C1 H2 C6 67.6(4) 1_655 1_655 1_655 no C1 H2 C6 67.6(4) 1_655 1_655 1_655 no C1 H2 C7 168.9(8) 1_655 1_655 1_655 no C1 H2 C7 37.7(3) 1_655 1_655 1_655 no C1 H2 C11 100.0(5) 1_655 1_655 1_655 no C1 H2 C11 100.0(5) 1_655 1_655 1_655 no C1 H2 H1 76.6(10) 1_655 1_655 1_655 no C1 H2 H3 146.3(13) 1_655 1_655 1_655 no C1 H2 H3 146.3(13) 1_655 1_655 1_655 no C1 H2 H4 80.2(7) 1_655 1_655 1_655 no C1 H2 H4 80.2(7) 1_655 1_655 1_655 no C1 H2 H5 57.8(7) 1_655 1_655 1_655 no C1 H2 H5 57.8(7) 1_655 1_655 1_655 no C1 H2 H7 119.2(8) 1_655 1_655 1_655 no C1 H2 H7 119.2(8) 1_655 1_655 1_655 no C1 H2 H8 92.4(8) 1_655 1_655 1_655 no C1 H2 H8 92.4(8) 1_655 1_655 1_655 no C1 H2 H9 108.4(6) 1_655 1_655 1_655 no C1 H2 H9 108.4(6) 1_655 1_655 1_655 no C2 H2 C3 3.9(3) . . . no C2 H2 C4 28.3(5) . . . no C2 H2 C5 73.7(17) . . . no C2 H2 C6 78.8(4) . . . no C2 H2 C6 78.8(4) . . . no C2 H2 C7 67.1(5) . . . no C2 H2 C7 139.5(8) . . . no C2 H2 C11 113.7(4) . . . no C2 H2 C11 113.7(4) . . . no C2 H2 H1 25.1(7) . . . no C2 H2 H3 94.2(15) . . . no C2 H2 H3 94.2(15) . . . no C2 H2 H4 71.5(6) . . . no C2 H2 H4 71.5(6) . . . no C2 H2 H5 88.6(7) . . . no C2 H2 H5 88.6(7) . . . no C2 H2 H7 132.8(8) . . . no C2 H2 H7 132.8(8) . . . no C2 H2 H8 122.3(6) . . . no C2 H2 H8 122.3(6) . . . no C2 H2 H9 99.4(7) . . . no C2 H2 H9 99.4(7) . . . no C3 H2 C4 32.2(4) . . . no C3 H2 C5 77.6(18) . . . no C3 H2 C6 77.1(4) . . . no C3 H2 C6 77.1(4) . . . no C3 H2 C7 71.0(7) . . . no C3 H2 C7 135.6(10) . . . no C3 H2 C11 114.7(4) . . . no C3 H2 C11 114.7(4) . . . no C3 H2 H1 21.3(6) . . . no C3 H2 H3 97.6(16) . . . no C3 H2 H3 97.6(16) . . . no C3 H2 H4 70.5(5) . . . no C3 H2 H4 70.5(5) . . . no C3 H2 H5 86.5(7) . . . no C3 H2 H5 86.5(7) . . . no C3 H2 H7 136.1(10) . . . no C3 H2 H7 136.1(10) . . . no C3 H2 H8 123.0(6) . . . no C3 H2 H8 123.0(6) . . . no C3 H2 H9 100.8(7) . . . no C3 H2 H9 100.8(7) . . . no C4 H2 C5 45.3(14) . . . no C4 H2 C6 91.9(5) . . . no C4 H2 C6 91.9(5) . . . no C4 H2 C7 38.8(6) . . . no C4 H2 C7 167.9(12) . . . no C4 H2 C11 103.3(6) . . . no C4 H2 C11 103.3(6) . . . no C4 H2 H1 53.5(9) . . . no C4 H2 H3 69.8(15) . . . no C4 H2 H3 69.8(15) . . . no C4 H2 H4 80.5(7) . . . no C4 H2 H4 80.5(7) . . . no C4 H2 H5 103.9(8) . . . no C4 H2 H5 103.9(8) . . . no C4 H2 H7 107.1(11) . . . no C4 H2 H7 107.1(11) . . . no C4 H2 H8 113.4(8) . . . no C4 H2 H8 113.4(8) . . . no C4 H2 H9 88.5(8) . . . no C4 H2 H9 88.5(8) . . . no C5 H2 C6 111.0(8) . . . no C5 H2 C6 111.0(8) . . . no C5 H2 C7 6.5(14) . . . no C5 H2 C7 146.8(21) . . . no C5 H2 C11 82.1(9) . . . no C5 H2 C11 82.1(9) . . . no C5 H2 H1 98.8(21) . . . no C5 H2 H3 36.0(13) . . . no C5 H2 H3 36.0(13) . . . no C5 H2 H4 98.1(10) . . . no C5 H2 H4 98.1(10) . . . no C5 H2 H5 121.4(8) . . . no C5 H2 H5 121.4(8) . . . no C5 H2 H7 65.0(15) . . . no C5 H2 H7 65.0(15) . . . no C5 H2 H8 90.2(12) . . . no C5 H2 H8 90.2(12) . . . no C5 H2 H9 72.7(8) . . . no C5 H2 H9 72.7(8) . . . no C6 H2 C6 123.6(7) 2_746 2_746 2_746 no C6 H2 C7 108.7(5) 2_746 2_746 2_746 no C6 H2 C7 82.4(5) 2_746 2_746 2_746 no C6 H2 C11 54.34(8) 2_746 2_746 2_746 no C6 H2 C11 164.6(9) 2_746 2_746 2_746 no C6 H2 H1 68.9(5) 2_746 2_746 2_746 no C6 H2 H3 87.1(10) 2_746 2_746 2_746 no C6 H2 H3 145.5(14) 2_746 2_746 2_746 no C6 H2 H4 13.2(5) 2_746 2_746 2_746 no C6 H2 H4 130.1(8) 2_746 2_746 2_746 no C6 H2 H5 119.6(10) 2_746 2_746 2_746 no C6 H2 H5 12.2(4) 2_746 2_746 2_746 no C6 H2 H7 136.5(6) 2_746 2_746 2_746 no C6 H2 H7 95.2(4) 2_746 2_746 2_746 no C6 H2 H8 154.5(11) 2_746 2_746 2_746 no C6 H2 H8 55.8(4) 2_746 2_746 2_746 no C6 H2 H9 51.3(4) 2_746 2_746 2_746 no C6 H2 H9 174.9(9) 2_746 2_746 2_746 no C6 H2 C7 108.7(5) 2_756 2_756 2_756 no C6 H2 C7 82.4(5) 2_756 2_756 2_756 no C6 H2 C11 164.6(9) 2_756 2_756 2_756 no C6 H2 C11 54.34(8) 2_756 2_756 2_756 no C6 H2 H1 68.9(5) 2_756 2_756 2_756 no C6 H2 H3 145.5(14) 2_756 2_756 2_756 no C6 H2 H3 87.1(10) 2_756 2_756 2_756 no C6 H2 H4 130.1(8) 2_756 2_756 2_756 no C6 H2 H4 13.2(5) 2_756 2_756 2_756 no C6 H2 H5 12.2(4) 2_756 2_756 2_756 no C6 H2 H5 119.6(10) 2_756 2_756 2_756 no C6 H2 H7 95.2(4) 2_756 2_756 2_756 no C6 H2 H7 136.5(6) 2_756 2_756 2_756 no C6 H2 H8 55.8(4) 2_756 2_756 2_756 no C6 H2 H8 154.5(11) 2_756 2_756 2_756 no C6 H2 H9 174.9(9) 2_756 2_756 2_756 no C6 H2 H9 51.3(4) 2_756 2_756 2_756 no C7 H2 C7 153.3(8) . . . no C7 H2 C11 85.1(5) . . . no C7 H2 C11 85.1(5) . . . no C7 H2 H1 92.3(11) . . . no C7 H2 H3 39.8(12) . . . no C7 H2 H3 39.8(12) . . . no C7 H2 H4 95.6(7) . . . no C7 H2 H4 95.6(7) . . . no C7 H2 H5 119.8(7) . . . no C7 H2 H5 119.8(7) . . . no C7 H2 H7 71.0(6) . . . no C7 H2 H7 71.0(6) . . . no C7 H2 H8 93.8(8) . . . no C7 H2 H8 93.8(8) . . . no C7 H2 H9 74.6(7) . . . no C7 H2 H9 74.6(7) . . . no C7 H2 C11 82.2(5) 1_655 1_655 1_655 no C7 H2 C11 82.2(5) 1_655 1_655 1_655 no C7 H2 H1 114.4(12) 1_655 1_655 1_655 no C7 H2 H3 120.4(15) 1_655 1_655 1_655 no C7 H2 H3 120.4(15) 1_655 1_655 1_655 no C7 H2 H4 94.9(7) 1_655 1_655 1_655 no C7 H2 H4 94.9(7) 1_655 1_655 1_655 no C7 H2 H5 70.2(7) 1_655 1_655 1_655 no C7 H2 H5 70.2(7) 1_655 1_655 1_655 no C7 H2 H7 84.2(6) 1_655 1_655 1_655 no C7 H2 H7 84.2(6) 1_655 1_655 1_655 no C7 H2 H8 72.1(7) 1_655 1_655 1_655 no C7 H2 H8 72.1(7) 1_655 1_655 1_655 no C7 H2 H9 96.2(7) 1_655 1_655 1_655 no C7 H2 H9 96.2(7) 1_655 1_655 1_655 no C11 H2 C11 122.8(7) 2_747 2_747 2_747 no C11 H2 H1 118.3(3) 2_747 2_747 2_747 no C11 H2 H3 46.3(10) 2_747 2_747 2_747 no C11 H2 H3 100.4(14) 2_747 2_747 2_747 no C11 H2 H4 52.0(4) 2_747 2_747 2_747 no C11 H2 H4 174.5(8) 2_747 2_747 2_747 no C11 H2 H5 152.4(11) 2_747 2_747 2_747 no C11 H2 H5 54.6(4) 2_747 2_747 2_747 no C11 H2 H7 82.9(6) 2_747 2_747 2_747 no C11 H2 H7 40.9(4) 2_747 2_747 2_747 no C11 H2 H8 118.3(8) 2_747 2_747 2_747 no C11 H2 H8 10.2(5) 2_747 2_747 2_747 no C11 H2 H9 14.9(5) 2_747 2_747 2_747 no C11 H2 H9 130.4(9) 2_747 2_747 2_747 no C11 H2 H1 118.3(3) 2_757 2_757 2_757 no C11 H2 H3 100.4(14) 2_757 2_757 2_757 no C11 H2 H3 46.3(10) 2_757 2_757 2_757 no C11 H2 H4 174.5(8) 2_757 2_757 2_757 no C11 H2 H4 52.0(4) 2_757 2_757 2_757 no C11 H2 H5 54.6(4) 2_757 2_757 2_757 no C11 H2 H5 152.4(11) 2_757 2_757 2_757 no C11 H2 H7 40.9(4) 2_757 2_757 2_757 no C11 H2 H7 82.9(6) 2_757 2_757 2_757 no C11 H2 H8 10.2(5) 2_757 2_757 2_757 no C11 H2 H8 118.3(8) 2_757 2_757 2_757 no C11 H2 H9 130.4(9) 2_757 2_757 2_757 no C11 H2 H9 14.9(5) 2_757 2_757 2_757 no H1 H2 H3 115.7(18) . . . no H1 H2 H3 115.7(18) . . . no H1 H2 H4 67.1(5) . . . no H1 H2 H4 67.1(5) . . . no H1 H2 H5 75.2(7) . . . no H1 H2 H5 75.2(7) . . . no H1 H2 H7 152.4(9) . . . no H1 H2 H7 152.4(9) . . . no H1 H2 H8 123.3(6) . . . no H1 H2 H8 123.3(6) . . . no H1 H2 H9 107.5(7) . . . no H1 H2 H9 107.5(7) . . . no H3 H2 H3 59.6(22) . . . no H3 H2 H4 77.0(11) . . . no H3 H2 H4 133.3(16) . . . no H3 H2 H5 153.1(14) . . . no H3 H2 H5 93.6(11) . . . no H3 H2 H7 64.9(13) . . . no H3 H2 H7 38.6(12) . . . no H3 H2 H8 103.9(15) . . . no H3 H2 H8 54.2(11) . . . no H3 H2 H9 38.9(11) . . . no H3 H2 H9 97.8(14) . . . no H3 H2 H4 133.3(16) 4 4 4 no H3 H2 H4 77.0(11) 4 4 4 no H3 H2 H5 93.6(11) 4 4 4 no H3 H2 H5 153.1(14) 4 4 4 no H3 H2 H7 38.6(12) 4 4 4 no H3 H2 H7 64.9(13) 4 4 4 no H3 H2 H8 54.2(11) 4 4 4 no H3 H2 H8 103.9(15) 4 4 4 no H3 H2 H9 97.8(14) 4 4 4 no H3 H2 H9 38.9(11) 4 4 4 no H4 H2 H4 133.1(10) 2_746 2_746 2_746 no H4 H2 H5 128.8(10) 2_746 2_746 2_746 no H4 H2 H5 25.1(6) 2_746 2_746 2_746 no H4 H2 H7 134.4(7) 2_746 2_746 2_746 no H4 H2 H7 92.2(6) 2_746 2_746 2_746 no H4 H2 H8 165.7(11) 2_746 2_746 2_746 no H4 H2 H8 56.2(6) 2_746 2_746 2_746 no H4 H2 H9 45.1(6) 2_746 2_746 2_746 no H4 H2 H9 168.9(11) 2_746 2_746 2_746 no H4 H2 H5 25.1(6) 2_756 2_756 2_756 no H4 H2 H5 128.8(10) 2_756 2_756 2_756 no H4 H2 H7 92.2(6) 2_756 2_756 2_756 no H4 H2 H7 134.4(7) 2_756 2_756 2_756 no H4 H2 H8 56.2(6) 2_756 2_756 2_756 no H4 H2 H8 165.7(11) 2_756 2_756 2_756 no H4 H2 H9 168.9(11) 2_756 2_756 2_756 no H4 H2 H9 45.1(6) 2_756 2_756 2_756 no H5 H2 H5 113.2(13) 2_756 2_756 2_756 no H5 H2 H7 93.9(6) 2_756 2_756 2_756 no H5 H2 H7 132.0(9) 2_756 2_756 2_756 no H5 H2 H8 53.4(6) 2_756 2_756 2_756 no H5 H2 H8 142.3(12) 2_756 2_756 2_756 no H5 H2 H9 165.5(12) 2_756 2_756 2_756 no H5 H2 H9 55.4(6) 2_756 2_756 2_756 no H5 H2 H7 132.0(9) 3_756 3_756 3_756 no H5 H2 H7 93.9(6) 3_756 3_756 3_756 no H5 H2 H8 142.3(12) 3_756 3_756 3_756 no H5 H2 H8 53.4(6) 3_756 3_756 3_756 no H5 H2 H9 55.4(6) 3_756 3_756 3_756 no H5 H2 H9 165.5(12) 3_756 3_756 3_756 no H7 H2 H7 42.2(8) 2_757 2_757 2_757 no H7 H2 H8 40.5(6) 2_757 2_757 2_757 no H7 H2 H8 80.7(8) 2_757 2_757 2_757 no H7 H2 H9 89.5(8) 2_757 2_757 2_757 no H7 H2 H9 47.9(6) 2_757 2_757 2_757 no H7 H2 H8 80.7(8) 3_757 3_757 3_757 no H7 H2 H8 40.5(6) 3_757 3_757 3_757 no H7 H2 H9 47.9(6) 3_757 3_757 3_757 no H7 H2 H9 89.5(8) 3_757 3_757 3_757 no H8 H2 H8 112.4(11) 2_757 2_757 2_757 no H8 H2 H9 128.4(9) 2_757 2_757 2_757 no H8 H2 H9 25.0(6) 2_757 2_757 2_757 no H8 H2 H9 25.0(6) 3_757 3_757 3_757 no H8 H2 H9 128.4(9) 3_757 3_757 3_757 no H9 H2 H9 133.7(12) 2_747 2_747 2_747 no CL1 H3 O1 102.6(6) 1_545 1_545 1_545 no CL1 H3 N1 62.4(5) 1_545 1_545 1_545 no CL1 H3 C1 56.2(3) 1_545 1_545 1_545 no CL1 H3 C3 65.5(4) 1_545 1_545 1_545 no CL1 H3 C4 67.5(6) 1_545 1_545 1_545 no CL1 H3 C5 108.3(15) 1_545 1_545 1_545 no CL1 H3 C7 75.1(5) 1_545 1_545 1_545 no CL1 H3 C8 63.8(4) 1_545 1_545 1_545 no CL1 H3 C8 96.4(6) 1_545 1_545 1_545 no CL1 H3 C9 78.5(5) 1_545 1_545 1_545 no CL1 H3 C9 103.8(6) 1_545 1_545 1_545 no CL1 H3 C10 86.1(5) 1_545 1_545 1_545 no CL1 H3 C11 74.3(5) 1_545 1_545 1_545 no CL1 H3 H1 73.0(5) 1_545 1_545 1_545 no CL1 H3 H2 110.1(14) 1_545 1_545 1_545 no CL1 H3 H3 134.5(4) 1_545 1_545 1_545 no CL1 H3 H4 43.5(5) 1_545 1_545 1_545 no CL1 H3 H5 68.3(5) 1_545 1_545 1_545 no CL1 H3 H6 46.2(5) 1_545 1_545 1_545 no CL1 H3 H6 102.2(6) 1_545 1_545 1_545 no CL1 H3 H7 156.8(9) 1_545 1_545 1_545 no CL1 H3 H7 116.4(9) 1_545 1_545 1_545 no CL1 H3 H8 71.3(5) 1_545 1_545 1_545 no CL1 H3 H8 158.1(8) 1_545 1_545 1_545 no CL1 H3 H8 86.6(9) 1_545 1_545 1_545 no CL1 H3 H9 56.0(8) 1_545 1_545 1_545 no O1 H3 N1 108.2(7) 1_655 1_655 1_655 no O1 H3 C1 105.9(5) 1_655 1_655 1_655 no O1 H3 C3 61.9(4) 1_655 1_655 1_655 no O1 H3 C4 77.9(7) 1_655 1_655 1_655 no O1 H3 C5 51.2(13) 1_655 1_655 1_655 no O1 H3 C7 136.8(8) 1_655 1_655 1_655 no O1 H3 C8 158.9(8) 1_655 1_655 1_655 no O1 H3 C8 130.6(7) 1_655 1_655 1_655 no O1 H3 C9 174.5(7) 1_655 1_655 1_655 no O1 H3 C9 119.1(6) 1_655 1_655 1_655 no O1 H3 C10 112.0(6) 1_655 1_655 1_655 no O1 H3 C11 93.9(6) 1_655 1_655 1_655 no O1 H3 H1 45.7(5) 1_655 1_655 1_655 no O1 H3 H2 19.6(9) 1_655 1_655 1_655 no O1 H3 H3 78.7(4) 1_655 1_655 1_655 no O1 H3 H4 65.0(6) 1_655 1_655 1_655 no O1 H3 H5 44.6(5) 1_655 1_655 1_655 no O1 H3 H6 148.0(8) 1_655 1_655 1_655 no O1 H3 H6 116.4(7) 1_655 1_655 1_655 no O1 H3 H7 100.6(7) 1_655 1_655 1_655 no O1 H3 H7 114.6(8) 1_655 1_655 1_655 no O1 H3 H8 87.6(6) 1_655 1_655 1_655 no O1 H3 H8 66.8(6) 1_655 1_655 1_655 no O1 H3 H8 79.7(8) 1_655 1_655 1_655 no O1 H3 H9 101.7(10) 1_655 1_655 1_655 no N1 H3 C1 6.9(2) . . . no N1 H3 C3 47.7(4) . . . no N1 H3 C4 30.4(3) . . . no N1 H3 C5 67.5(13) . . . no N1 H3 C7 31.8(3) . . . no N1 H3 C8 51.9(4) . . . no N1 H3 C8 44.6(4) . . . no N1 H3 C9 67.4(5) . . . no N1 H3 C9 132.7(9) . . . no N1 H3 C10 133.2(8) . . . no N1 H3 C11 134.4(9) . . . no N1 H3 H1 63.9(6) . . . no N1 H3 H2 95.2(16) . . . no N1 H3 H3 73.9(5) . . . no N1 H3 H4 95.1(7) . . . no N1 H3 H5 113.0(8) . . . no N1 H3 H6 55.7(6) . . . no N1 H3 H6 43.1(5) . . . no N1 H3 H7 111.1(8) . . . no N1 H3 H7 135.6(11) . . . no N1 H3 H8 133.2(9) . . . no N1 H3 H8 101.5(8) . . . no N1 H3 H8 148.8(12) . . . no N1 H3 H9 115.6(11) . . . no C1 H3 C3 44.2(3) . . . no C1 H3 C4 28.5(4) . . . no C1 H3 C5 69.2(14) . . . no C1 H3 C7 36.6(3) . . . no C1 H3 C8 53.5(4) . . . no C1 H3 C8 51.1(3) . . . no C1 H3 C9 70.2(4) . . . no C1 H3 C9 134.4(7) . . . no C1 H3 C10 131.4(7) . . . no C1 H3 C11 129.3(7) . . . no C1 H3 H1 60.6(5) . . . no C1 H3 H2 94.7(15) . . . no C1 H3 H3 79.4(4) . . . no C1 H3 H4 88.2(6) . . . no C1 H3 H5 106.7(7) . . . no C1 H3 H6 54.5(5) . . . no C1 H3 H6 49.9(4) . . . no C1 H3 H7 118.0(7) . . . no C1 H3 H7 139.2(9) . . . no C1 H3 H8 127.4(7) . . . no C1 H3 H8 106.7(7) . . . no C1 H3 H8 142.7(10) . . . no C1 H3 H9 110.5(10) . . . no C3 H3 C4 18.7(3) . . . no C3 H3 C5 42.9(11) . . . no C3 H3 C7 79.3(6) . . . no C3 H3 C8 97.1(6) . . . no C3 H3 C8 86.7(6) . . . no C3 H3 C9 114.4(6) . . . no C3 H3 C9 168.4(8) . . . no C3 H3 C10 146.8(8) . . . no C3 H3 C11 124.8(8) . . . no C3 H3 H1 16.3(4) . . . no C3 H3 H2 54.4(13) . . . no C3 H3 H3 76.4(5) . . . no C3 H3 H4 66.3(5) . . . no C3 H3 H5 72.2(6) . . . no C3 H3 H6 92.9(7) . . . no C3 H3 H6 77.8(5) . . . no C3 H3 H7 128.7(9) . . . no C3 H3 H7 176.5(10) . . . no C3 H3 H8 117.6(8) . . . no C3 H3 H8 92.8(7) . . . no C3 H3 H8 123.4(10) . . . no C3 H3 H9 113.3(10) . . . no C4 H3 C5 44.5(10) . . . no C4 H3 C7 61.2(6) . . . no C4 H3 C8 81.8(8) . . . no C4 H3 C8 68.1(7) . . . no C4 H3 C9 97.8(8) . . . no C4 H3 C9 162.8(11) . . . no C4 H3 C10 153.4(10) . . . no C4 H3 C11 137.7(11) . . . no C4 H3 H1 34.0(6) . . . no C4 H3 H2 66.4(15) . . . no C4 H3 H3 68.5(7) . . . no C4 H3 H4 81.0(8) . . . no C4 H3 H5 90.3(8) . . . no C4 H3 H6 81.9(8) . . . no C4 H3 H6 60.1(7) . . . no C4 H3 H7 119.4(10) . . . no C4 H3 H7 164.0(13) . . . no C4 H3 H8 131.6(10) . . . no C4 H3 H8 91.1(9) . . . no C4 H3 H8 140.6(13) . . . no C4 H3 H9 122.1(12) . . . no C5 H3 C7 87.8(15) . . . no C5 H3 C8 115.3(17) . . . no C5 H3 C8 79.6(15) . . . no C5 H3 C9 123.3(17) . . . no C5 H3 C9 147.8(18) . . . no C5 H3 C10 159.2(18) . . . no C5 H3 C11 145.1(19) . . . no C5 H3 H1 39.4(11) . . . no C5 H3 H2 32.2(13) . . . no C5 H3 H3 38.3(15) . . . no C5 H3 H4 98.5(15) . . . no C5 H3 H5 89.6(16) . . . no C5 H3 H6 123.2(18) . . . no C5 H3 H6 65.5(14) . . . no C5 H3 H7 87.4(16) . . . no C5 H3 H7 135.3(19) . . . no C5 H3 H8 138.5(18) . . . no C5 H3 H8 49.9(13) . . . no C5 H3 H8 130.4(20) . . . no C5 H3 H9 148.0(21) . . . no C7 H3 C8 27.9(2) . . . no C7 H3 C8 21.3(2) . . . no C7 H3 C9 38.0(3) . . . no C7 H3 C9 102.8(7) . . . no C7 H3 C10 110.8(7) . . . no C7 H3 C11 125.1(9) . . . no C7 H3 H1 95.2(8) . . . no C7 H3 H2 119.7(16) . . . no C7 H3 H3 74.2(5) . . . no C7 H3 H4 117.2(9) . . . no C7 H3 H5 140.3(9) . . . no C7 H3 H6 42.2(6) . . . no C7 H3 H6 30.7(4) . . . no C7 H3 H7 88.8(7) . . . no C7 H3 H7 103.9(9) . . . no C7 H3 H8 129.3(9) . . . no C7 H3 H8 99.1(8) . . . no C7 H3 H8 141.5(12) . . . no C7 H3 H9 111.0(11) . . . no C8 H3 C8 42.8(3) . . . no C8 H3 C9 18.3(2) . . . no C8 H3 C9 81.0(6) . . . no C8 H3 C10 84.2(6) . . . no C8 H3 C11 97.3(7) . . . no C8 H3 H1 113.3(8) . . . no C8 H3 H2 146.4(17) . . . no C8 H3 H3 99.1(5) . . . no C8 H3 H4 106.4(8) . . . no C8 H3 H5 130.8(8) . . . no C8 H3 H6 19.1(4) . . . no C8 H3 H6 56.0(5) . . . no C8 H3 H7 94.2(7) . . . no C8 H3 H7 86.3(8) . . . no C8 H3 H8 101.9(8) . . . no C8 H3 H8 119.5(8) . . . no C8 H3 H8 113.7(11) . . . no C8 H3 H9 84.4(10) . . . no C8 H3 C9 44.0(3) 4 4 4 no C8 H3 C9 99.3(6) 4 4 4 no C8 H3 C10 114.4(7) 4 4 4 no C8 H3 C11 135.3(8) 4 4 4 no C8 H3 H1 100.3(7) 4 4 4 no C8 H3 H2 111.1(14) 4 4 4 no C8 H3 H3 56.3(4) 4 4 4 no C8 H3 H4 137.6(8) 4 4 4 no C8 H3 H5 157.5(8) 4 4 4 no C8 H3 H6 60.6(6) 4 4 4 no C8 H3 H6 14.2(3) 4 4 4 no C8 H3 H7 69.0(6) 4 4 4 no C8 H3 H7 95.9(8) 4 4 4 no C8 H3 H8 141.8(8) 4 4 4 no C8 H3 H8 78.8(6) 4 4 4 no C8 H3 H8 147.2(11) 4 4 4 no C8 H3 H9 126.5(11) 4 4 4 no C9 H3 C9 65.4(4) . . . no C9 H3 C10 73.4(4) . . . no C9 H3 C11 91.6(6) . . . no C9 H3 H1 130.7(8) . . . no C9 H3 H2 155.0(15) . . . no C9 H3 H3 96.7(4) . . . no C9 H3 H4 118.0(8) . . . no C9 H3 H5 139.6(8) . . . no C9 H3 H6 32.4(5) . . . no C9 H3 H6 58.2(5) . . . no C9 H3 H7 78.5(6) . . . no C9 H3 H7 69.1(7) . . . no C9 H3 H8 97.8(7) . . . no C9 H3 H8 110.2(7) . . . no C9 H3 H8 105.8(10) . . . no C9 H3 H9 83.5(9) . . . no C9 H3 C10 21.9(2) 3_757 3_757 3_757 no C9 H3 C11 44.8(3) 3_757 3_757 3_757 no C9 H3 H1 160.4(8) 3_757 3_757 3_757 no C9 H3 H2 130.6(16) 3_757 3_757 3_757 no C9 H3 H3 115.2(4) 3_757 3_757 3_757 no C9 H3 H4 103.1(7) 3_757 3_757 3_757 no C9 H3 H5 100.3(7) 3_757 3_757 3_757 no C9 H3 H6 81.6(6) 3_757 3_757 3_757 no C9 H3 H6 109.9(6) 3_757 3_757 3_757 no C9 H3 H7 62.9(6) 3_757 3_757 3_757 no C9 H3 H7 12.7(5) 3_757 3_757 3_757 no C9 H3 H8 52.3(5) 3_757 3_757 3_757 no C9 H3 H8 98.0(7) 3_757 3_757 3_757 no C9 H3 H8 48.8(7) 3_757 3_757 3_757 no C9 H3 H9 55.2(8) 3_757 3_757 3_757 no C10 H3 C11 23.9(2) 2_747 2_747 2_747 no C10 H3 H1 141.2(8) 2_747 2_747 2_747 no C10 H3 H2 129.3(15) 2_747 2_747 2_747 no C10 H3 H3 136.4(4) 2_747 2_747 2_747 no C10 H3 H4 81.5(6) 2_747 2_747 2_747 no C10 H3 H5 81.8(6) 2_747 2_747 2_747 no C10 H3 H6 77.6(6) 2_747 2_747 2_747 no C10 H3 H6 127.3(7) 2_747 2_747 2_747 no C10 H3 H7 84.0(6) 2_747 2_747 2_747 no C10 H3 H7 33.4(6) 2_747 2_747 2_747 no C10 H3 H8 31.6(4) 2_747 2_747 2_747 no C10 H3 H8 115.5(7) 2_747 2_747 2_747 no C10 H3 H8 33.0(7) 2_747 2_747 2_747 no C10 H3 H9 33.6(7) 2_747 2_747 2_747 no C11 H3 H1 117.4(8) 2_747 2_747 2_747 no C11 H3 H2 113.2(14) 2_747 2_747 2_747 no C11 H3 H3 151.1(4) 2_747 2_747 2_747 no C11 H3 H4 58.6(5) 2_747 2_747 2_747 no C11 H3 H5 58.3(5) 2_747 2_747 2_747 no C11 H3 H6 84.6(8) 2_747 2_747 2_747 no C11 H3 H6 149.2(8) 2_747 2_747 2_747 no C11 H3 H7 102.8(7) 2_747 2_747 2_747 no C11 H3 H7 54.4(6) 2_747 2_747 2_747 no C11 H3 H8 7.8(4) 2_747 2_747 2_747 no C11 H3 H8 124.0(8) 2_747 2_747 2_747 no C11 H3 H8 17.0(6) 2_747 2_747 2_747 no C11 H3 H9 18.9(7) 2_747 2_747 2_747 no H1 H3 H2 40.4(13) . . . no H1 H3 H3 77.1(4) . . . no H1 H3 H4 60.8(5) . . . no H1 H3 H5 60.3(6) . . . no H1 H3 H6 107.4(8) . . . no H1 H3 H6 89.6(6) . . . no H1 H3 H7 126.1(9) . . . no H1 H3 H7 160.2(11) . . . no H1 H3 H8 109.7(8) . . . no H1 H3 H8 86.7(7) . . . no H1 H3 H8 111.6(10) . . . no H1 H3 H9 110.8(10) . . . no H2 H3 H3 60.2(11) . . . no H2 H3 H4 79.9(11) . . . no H2 H3 H5 62.7(11) . . . no H2 H3 H6 147.3(17) . . . no H2 H3 H6 96.8(14) . . . no H2 H3 H7 92.3(14) . . . no H2 H3 H7 122.3(17) . . . no H2 H3 H8 107.1(13) . . . no H2 H3 H8 53.9(11) . . . no H2 H3 H8 98.3(14) . . . no H2 H3 H9 121.0(16) . . . no H3 H3 H4 136.6(5) 4 4 4 no H3 H3 H5 122.9(5) 4 4 4 no H3 H3 H6 116.3(7) 4 4 4 no H3 H3 H6 43.7(5) 4 4 4 no H3 H3 H7 52.4(6) 4 4 4 no H3 H3 H7 103.2(7) 4 4 4 no H3 H3 H8 152.8(5) 4 4 4 no H3 H3 H8 27.8(5) 4 4 4 no H3 H3 H8 136.9(8) 4 4 4 no H3 H3 H9 169.4(8) 4 4 4 no H4 H3 H5 24.8(5) 2_746 2_746 2_746 no H4 H3 H6 87.6(9) 2_746 2_746 2_746 no H4 H3 H6 137.9(8) 2_746 2_746 2_746 no H4 H3 H7 153.3(9) 2_746 2_746 2_746 no H4 H3 H7 112.8(9) 2_746 2_746 2_746 no H4 H3 H8 51.4(6) 2_746 2_746 2_746 no H4 H3 H8 131.8(9) 2_746 2_746 2_746 no H4 H3 H8 60.2(8) 2_746 2_746 2_746 no H4 H3 H9 50.1(8) 2_746 2_746 2_746 no H5 H3 H6 111.7(9) 3_756 3_756 3_756 no H5 H3 H6 149.8(8) 3_756 3_756 3_756 no H5 H3 H7 130.5(9) 3_756 3_756 3_756 no H5 H3 H7 105.5(9) 3_756 3_756 3_756 no H5 H3 H8 50.7(6) 3_756 3_756 3_756 no H5 H3 H8 109.1(9) 3_756 3_756 3_756 no H5 H3 H8 51.6(8) 3_756 3_756 3_756 no H5 H3 H9 59.2(9) 3_756 3_756 3_756 no H6 H3 H6 72.6(9) . . . no H6 H3 H7 110.9(9) . . . no H6 H3 H7 90.4(9) . . . no H6 H3 H8 87.5(8) . . . no H6 H3 H8 138.5(10) . . . no H6 H3 H8 101.5(11) . . . no H6 H3 H9 68.9(10) . . . no H6 H3 H7 68.1(6) 4 4 4 no H6 H3 H7 104.3(8) 4 4 4 no H6 H3 H8 156.0(9) 4 4 4 no H6 H3 H8 68.6(6) 4 4 4 no H6 H3 H8 158.7(11) 4 4 4 no H6 H3 H9 140.3(12) 4 4 4 no H7 H3 H7 50.7(10) 2_757 2_757 2_757 no H7 H3 H8 108.5(8) 2_757 2_757 2_757 no H7 H3 H8 39.8(6) 2_757 2_757 2_757 no H7 H3 H8 96.3(9) 2_757 2_757 2_757 no H7 H3 H9 117.5(11) 2_757 2_757 2_757 no H7 H3 H8 61.4(7) 3_757 3_757 3_757 no H7 H3 H8 85.4(8) 3_757 3_757 3_757 no H7 H3 H8 54.7(8) 3_757 3_757 3_757 no H7 H3 H9 66.9(10) 3_757 3_757 3_757 no H8 H3 H8 125.0(9) 2_747 2_747 2_747 no H8 H3 H8 15.9(6) 2_747 2_747 2_747 no H8 H3 H9 19.0(8) 2_747 2_747 2_747 no H8 H3 H8 109.2(12) 2_757 2_757 2_757 no H8 H3 H9 142.8(12) 2_757 2_757 2_757 no H8 H3 H9 34.4(8) 3_757 3_757 3_757 no CL1 H4 O1 120.5(4) 2_746 2_746 2_746 no CL1 H4 O1 120.5(4) 2_746 2_746 2_746 no CL1 H4 N2 147.8(10) 2_746 2_746 2_746 no CL1 H4 C2 132.5(13) 2_746 2_746 2_746 no CL1 H4 C3 100.9(9) 2_746 2_746 2_746 no CL1 H4 C3 69.4(5) 2_746 2_746 2_746 no CL1 H4 C3 69.4(5) 2_746 2_746 2_746 no CL1 H4 C4 104.8(8) 2_746 2_746 2_746 no CL1 H4 C4 61.9(4) 2_746 2_746 2_746 no CL1 H4 C4 61.9(4) 2_746 2_746 2_746 no CL1 H4 C5 75.5(5) 2_746 2_746 2_746 no CL1 H4 C5 75.5(5) 2_746 2_746 2_746 no CL1 H4 C6 177.9(24) 2_746 2_746 2_746 no CL1 H4 C11 86.1(8) 2_746 2_746 2_746 no CL1 H4 H1 80.0(10) 2_746 2_746 2_746 no CL1 H4 H1 83.6(6) 2_746 2_746 2_746 no CL1 H4 H1 83.6(6) 2_746 2_746 2_746 no CL1 H4 H2 87.6(7) 2_746 2_746 2_746 no CL1 H4 H2 87.6(7) 2_746 2_746 2_746 no CL1 H4 H3 70.9(7) 2_746 2_746 2_746 no CL1 H4 H3 70.9(7) 2_746 2_746 2_746 no CL1 H4 H5 148.5(14) 2_746 2_746 2_746 no CL1 H4 H5 148.5(14) 2_746 2_746 2_746 no CL1 H4 H8 95.1(10) 2_746 2_746 2_746 no CL1 H4 H8 95.1(10) 2_746 2_746 2_746 no CL1 H4 H9 69.8(10) 2_746 2_746 2_746 no CL1 H4 H10 162.7(11) 2_746 2_746 2_746 no O1 H4 O1 117.4(8) 2_646 2_646 2_646 no O1 H4 N2 68.4(5) 2_646 2_646 2_646 no O1 H4 C2 75.0(6) 2_646 2_646 2_646 no O1 H4 C3 90.9(6) 2_646 2_646 2_646 no O1 H4 C3 54.94(7) 2_646 2_646 2_646 no O1 H4 C3 168.9(9) 2_646 2_646 2_646 no O1 H4 C4 88.9(5) 2_646 2_646 2_646 no O1 H4 C4 58.60(6) 2_646 2_646 2_646 no O1 H4 C4 166.4(8) 2_646 2_646 2_646 no O1 H4 C5 48.40(12) 2_646 2_646 2_646 no O1 H4 C5 145.1(8) 2_646 2_646 2_646 no O1 H4 C6 59.8(5) 2_646 2_646 2_646 no O1 H4 C11 85.5(5) 2_646 2_646 2_646 no O1 H4 H1 101.5(6) 2_646 2_646 2_646 no O1 H4 H1 42.6(4) 2_646 2_646 2_646 no O1 H4 H1 155.0(10) 2_646 2_646 2_646 no O1 H4 H2 36.2(5) 2_646 2_646 2_646 no O1 H4 H2 139.5(9) 2_646 2_646 2_646 no O1 H4 H3 135.9(8) 2_646 2_646 2_646 no O1 H4 H3 58.4(4) 2_646 2_646 2_646 no O1 H4 H5 33.8(9) 2_646 2_646 2_646 no O1 H4 H5 84.1(13) 2_646 2_646 2_646 no O1 H4 H8 69.1(6) 2_646 2_646 2_646 no O1 H4 H8 92.7(7) 2_646 2_646 2_646 no O1 H4 H9 93.9(6) 2_646 2_646 2_646 no O1 H4 H10 63.2(4) 2_646 2_646 2_646 no O1 H4 N2 68.4(5) 2_656 2_656 2_656 no O1 H4 C2 75.0(6) 2_656 2_656 2_656 no O1 H4 C3 90.9(6) 2_656 2_656 2_656 no O1 H4 C3 168.9(9) 2_656 2_656 2_656 no O1 H4 C3 54.94(7) 2_656 2_656 2_656 no O1 H4 C4 88.9(5) 2_656 2_656 2_656 no O1 H4 C4 166.4(8) 2_656 2_656 2_656 no O1 H4 C4 58.60(6) 2_656 2_656 2_656 no O1 H4 C5 145.1(8) 2_656 2_656 2_656 no O1 H4 C5 48.40(12) 2_656 2_656 2_656 no O1 H4 C6 59.8(5) 2_656 2_656 2_656 no O1 H4 C11 85.5(5) 2_656 2_656 2_656 no O1 H4 H1 101.5(6) 2_656 2_656 2_656 no O1 H4 H1 155.0(10) 2_656 2_656 2_656 no O1 H4 H1 42.6(4) 2_656 2_656 2_656 no O1 H4 H2 139.5(9) 2_656 2_656 2_656 no O1 H4 H2 36.2(5) 2_656 2_656 2_656 no O1 H4 H3 58.4(4) 2_656 2_656 2_656 no O1 H4 H3 135.9(8) 2_656 2_656 2_656 no O1 H4 H5 84.1(13) 2_656 2_656 2_656 no O1 H4 H5 33.8(9) 2_656 2_656 2_656 no O1 H4 H8 92.7(7) 2_656 2_656 2_656 no O1 H4 H8 69.1(6) 2_656 2_656 2_656 no O1 H4 H9 93.9(6) 2_656 2_656 2_656 no O1 H4 H10 63.2(4) 2_656 2_656 2_656 no N2 H4 C2 15.3(4) . . . no N2 H4 C3 47.0(5) . . . no N2 H4 C3 100.5(5) . . . no N2 H4 C3 100.5(5) . . . no N2 H4 C4 43.0(4) . . . no N2 H4 C4 117.6(4) . . . no N2 H4 C4 117.6(4) . . . no N2 H4 C5 116.1(5) . . . no N2 H4 C5 116.1(5) . . . no N2 H4 C6 30.1(15) . . . no N2 H4 C11 126.1(9) . . . no N2 H4 H1 67.9(9) . . . no N2 H4 H1 87.7(6) . . . no N2 H4 H1 87.7(6) . . . no N2 H4 H2 104.3(7) . . . no N2 H4 H2 104.3(7) . . . no N2 H4 H3 126.7(7) . . . no N2 H4 H3 126.7(7) . . . no N2 H4 H5 55.9(13) . . . no N2 H4 H5 55.9(13) . . . no N2 H4 H8 116.1(10) . . . no N2 H4 H8 116.1(10) . . . no N2 H4 H9 142.4(12) . . . no N2 H4 H10 14.9(5) . . . no C2 H4 C3 31.6(4) . . . no C2 H4 C3 94.5(6) . . . no C2 H4 C3 94.5(6) . . . no C2 H4 C4 27.7(5) . . . no C2 H4 C4 114.0(5) . . . no C2 H4 C4 114.0(5) . . . no C2 H4 C5 119.0(4) . . . no C2 H4 C5 119.0(4) . . . no C2 H4 C6 45.4(15) . . . no C2 H4 C11 141.4(13) . . . no C2 H4 H1 52.5(9) . . . no C2 H4 H1 83.7(6) . . . no C2 H4 H1 83.7(6) . . . no C2 H4 H2 108.7(7) . . . no C2 H4 H2 108.7(7) . . . no C2 H4 H3 131.8(6) . . . no C2 H4 H3 131.8(6) . . . no C2 H4 H5 69.3(15) . . . no C2 H4 H5 69.3(15) . . . no C2 H4 H8 130.8(13) . . . no C2 H4 H8 130.8(13) . . . no C2 H4 H9 157.7(16) . . . no C2 H4 H10 30.2(7) . . . no C3 H4 C3 81.6(5) . . . no C3 H4 C3 81.6(5) . . . no C3 H4 C4 3.9(3) . . . no C3 H4 C4 101.9(5) . . . no C3 H4 C4 101.9(5) . . . no C3 H4 C5 117.9(4) . . . no C3 H4 C5 117.9(4) . . . no C3 H4 C6 77.0(19) . . . no C3 H4 C11 173.1(12) . . . no C3 H4 H1 20.9(6) . . . no C3 H4 H1 76.9(6) . . . no C3 H4 H1 76.9(6) . . . no C3 H4 H2 113.4(5) . . . no C3 H4 H2 113.4(5) . . . no C3 H4 H3 130.9(5) . . . no C3 H4 H3 130.9(5) . . . no C3 H4 H5 97.8(17) . . . no C3 H4 H5 97.8(17) . . . no C3 H4 H8 159.0(11) . . . no C3 H4 H8 159.0(11) . . . no C3 H4 H9 170.6(15) . . . no C3 H4 H10 61.9(8) . . . no C3 H4 C3 131.1(8) 2_746 2_746 2_746 no C3 H4 C4 83.1(5) 2_746 2_746 2_746 no C3 H4 C4 20.69(9) 2_746 2_746 2_746 no C3 H4 C4 130.9(9) 2_746 2_746 2_746 no C3 H4 C5 38.24(12) 2_746 2_746 2_746 no C3 H4 C5 142.7(9) 2_746 2_746 2_746 no C3 H4 C6 110.1(7) 2_746 2_746 2_746 no C3 H4 C11 101.1(5) 2_746 2_746 2_746 no C3 H4 H1 74.0(5) 2_746 2_746 2_746 no C3 H4 H1 14.3(4) 2_746 2_746 2_746 no C3 H4 H1 141.4(9) 2_746 2_746 2_746 no C3 H4 H2 40.1(4) 2_746 2_746 2_746 no C3 H4 H2 155.0(11) 2_746 2_746 2_746 no C3 H4 H3 132.7(10) 2_746 2_746 2_746 no C3 H4 H3 49.8(4) 2_746 2_746 2_746 no C3 H4 H5 88.7(9) 2_746 2_746 2_746 no C3 H4 H5 139.0(13) 2_746 2_746 2_746 no C3 H4 H8 91.5(6) 2_746 2_746 2_746 no C3 H4 H8 117.2(8) 2_746 2_746 2_746 no C3 H4 H9 94.7(6) 2_746 2_746 2_746 no C3 H4 H10 105.8(5) 2_746 2_746 2_746 no C3 H4 C4 83.1(5) 2_756 2_756 2_756 no C3 H4 C4 130.9(9) 2_756 2_756 2_756 no C3 H4 C4 20.69(9) 2_756 2_756 2_756 no C3 H4 C5 142.7(9) 2_756 2_756 2_756 no C3 H4 C5 38.24(12) 2_756 2_756 2_756 no C3 H4 C6 110.1(7) 2_756 2_756 2_756 no C3 H4 C11 101.1(5) 2_756 2_756 2_756 no C3 H4 H1 74.0(5) 2_756 2_756 2_756 no C3 H4 H1 141.4(9) 2_756 2_756 2_756 no C3 H4 H1 14.3(4) 2_756 2_756 2_756 no C3 H4 H2 155.0(11) 2_756 2_756 2_756 no C3 H4 H2 40.1(4) 2_756 2_756 2_756 no C3 H4 H3 49.8(4) 2_756 2_756 2_756 no C3 H4 H3 132.7(10) 2_756 2_756 2_756 no C3 H4 H5 139.0(13) 2_756 2_756 2_756 no C3 H4 H5 88.7(9) 2_756 2_756 2_756 no C3 H4 H8 117.2(8) 2_756 2_756 2_756 no C3 H4 H8 91.5(6) 2_756 2_756 2_756 no C3 H4 H9 94.7(6) 2_756 2_756 2_756 no C3 H4 H10 105.8(5) 2_756 2_756 2_756 no C4 H4 C4 103.7(5) . . . no C4 H4 C4 103.7(5) . . . no C4 H4 C5 118.6(4) . . . no C4 H4 C5 118.6(4) . . . no C4 H4 C6 73.1(18) . . . no C4 H4 C11 169.2(10) . . . no C4 H4 H1 24.8(7) . . . no C4 H4 H1 77.6(6) . . . no C4 H4 H1 77.6(6) . . . no C4 H4 H2 113.2(5) . . . no C4 H4 H2 113.2(5) . . . no C4 H4 H3 131.9(5) . . . no C4 H4 H3 131.9(5) . . . no C4 H4 H5 94.3(16) . . . no C4 H4 H5 94.3(16) . . . no C4 H4 H8 155.9(9) . . . no C4 H4 H8 155.9(9) . . . no C4 H4 H9 174.6(12) . . . no C4 H4 H10 58.0(7) . . . no C4 H4 C4 121.8(8) 2_746 2_746 2_746 no C4 H4 C5 21.92(9) 2_746 2_746 2_746 no C4 H4 C5 126.1(8) 2_746 2_746 2_746 no C4 H4 C6 118.4(5) 2_746 2_746 2_746 no C4 H4 C11 81.3(5) 2_746 2_746 2_746 no C4 H4 H1 92.1(6) 2_746 2_746 2_746 no C4 H4 H1 30.4(4) 2_746 2_746 2_746 no C4 H4 H1 144.8(10) 2_746 2_746 2_746 no C4 H4 H2 29.7(5) 2_746 2_746 2_746 no C4 H4 H2 137.2(10) 2_746 2_746 2_746 no C4 H4 H3 114.1(9) 2_746 2_746 2_746 no C4 H4 H3 30.5(4) 2_746 2_746 2_746 no C4 H4 H5 89.6(10) 2_746 2_746 2_746 no C4 H4 H5 137.6(14) 2_746 2_746 2_746 no C4 H4 H8 73.7(6) 2_746 2_746 2_746 no C4 H4 H8 97.6(8) 2_746 2_746 2_746 no C4 H4 H9 74.0(6) 2_746 2_746 2_746 no C4 H4 H10 119.1(4) 2_746 2_746 2_746 no C4 H4 C5 126.1(8) 2_756 2_756 2_756 no C4 H4 C5 21.92(9) 2_756 2_756 2_756 no C4 H4 C6 118.4(5) 2_756 2_756 2_756 no C4 H4 C11 81.3(5) 2_756 2_756 2_756 no C4 H4 H1 92.1(6) 2_756 2_756 2_756 no C4 H4 H1 144.8(10) 2_756 2_756 2_756 no C4 H4 H1 30.4(4) 2_756 2_756 2_756 no C4 H4 H2 137.2(10) 2_756 2_756 2_756 no C4 H4 H2 29.7(5) 2_756 2_756 2_756 no C4 H4 H3 30.5(4) 2_756 2_756 2_756 no C4 H4 H3 114.1(9) 2_756 2_756 2_756 no C4 H4 H5 137.6(14) 2_756 2_756 2_756 no C4 H4 H5 89.6(10) 2_756 2_756 2_756 no C4 H4 H8 97.6(8) 2_756 2_756 2_756 no C4 H4 H8 73.7(6) 2_756 2_756 2_756 no C4 H4 H9 74.0(6) 2_756 2_756 2_756 no C4 H4 H10 119.1(4) 2_756 2_756 2_756 no C5 H4 C5 120.5(8) 2_746 2_746 2_746 no C5 H4 C6 105.4(9) 2_746 2_746 2_746 no C5 H4 C11 63.6(4) 2_746 2_746 2_746 no C5 H4 H1 112.2(5) 2_746 2_746 2_746 no C5 H4 H1 41.0(4) 2_746 2_746 2_746 no C5 H4 H1 156.2(10) 2_746 2_746 2_746 no C5 H4 H2 12.4(5) 2_746 2_746 2_746 no C5 H4 H2 128.1(8) 2_746 2_746 2_746 no C5 H4 H3 106.9(8) 2_746 2_746 2_746 no C5 H4 H3 13.7(4) 2_746 2_746 2_746 no C5 H4 H5 73.3(10) 2_746 2_746 2_746 no C5 H4 H5 117.0(14) 2_746 2_746 2_746 no C5 H4 H8 53.3(5) 2_746 2_746 2_746 no C5 H4 H8 79.2(7) 2_746 2_746 2_746 no C5 H4 H9 60.7(4) 2_746 2_746 2_746 no C5 H4 H10 111.5(5) 2_746 2_746 2_746 no C5 H4 C6 105.4(9) 2_756 2_756 2_756 no C5 H4 C11 63.6(4) 2_756 2_756 2_756 no C5 H4 H1 112.2(5) 2_756 2_756 2_756 no C5 H4 H1 156.2(10) 2_756 2_756 2_756 no C5 H4 H1 41.0(4) 2_756 2_756 2_756 no C5 H4 H2 128.1(8) 2_756 2_756 2_756 no C5 H4 H2 12.4(5) 2_756 2_756 2_756 no C5 H4 H3 13.7(4) 2_756 2_756 2_756 no C5 H4 H3 106.9(8) 2_756 2_756 2_756 no C5 H4 H5 117.0(14) 2_756 2_756 2_756 no C5 H4 H5 73.3(10) 2_756 2_756 2_756 no C5 H4 H8 79.2(7) 2_756 2_756 2_756 no C5 H4 H8 53.3(5) 2_756 2_756 2_756 no C5 H4 H9 60.7(4) 2_756 2_756 2_756 no C5 H4 H10 111.5(5) 2_756 2_756 2_756 no C6 H4 C11 96.0(19) . . . no C6 H4 H1 97.9(22) . . . no C6 H4 H1 95.9(8) . . . no C6 H4 H1 95.9(8) . . . no C6 H4 H2 93.3(10) . . . no C6 H4 H2 93.3(10) . . . no C6 H4 H3 110.4(14) . . . no C6 H4 H3 110.4(14) . . . no C6 H4 H5 32.7(12) . . . no C6 H4 H5 32.7(12) . . . no C6 H4 H8 86.9(18) . . . no C6 H4 H8 86.9(18) . . . no C6 H4 H9 112.3(22) . . . no C6 H4 H10 15.2(15) . . . no C11 H4 H1 166.0(14) 1_554 1_554 1_554 no C11 H4 H1 104.1(6) 1_554 1_554 1_554 no C11 H4 H1 104.1(6) 1_554 1_554 1_554 no C11 H4 H2 66.6(5) 1_554 1_554 1_554 no C11 H4 H2 66.6(5) 1_554 1_554 1_554 no C11 H4 H3 51.3(5) 1_554 1_554 1_554 no C11 H4 H3 51.3(5) 1_554 1_554 1_554 no C11 H4 H5 76.0(14) 1_554 1_554 1_554 no C11 H4 H5 76.0(14) 1_554 1_554 1_554 no C11 H4 H8 16.4(5) 1_554 1_554 1_554 no C11 H4 H8 16.4(5) 1_554 1_554 1_554 no C11 H4 H9 16.3(7) 1_554 1_554 1_554 no C11 H4 H10 111.2(9) 1_554 1_554 1_554 no H1 H4 H1 74.5(5) . . . no H1 H4 H1 74.5(5) . . . no H1 H4 H2 112.5(5) . . . no H1 H4 H2 112.5(5) . . . no H1 H4 H3 122.5(7) . . . no H1 H4 H3 122.5(7) . . . no H1 H4 H5 116.5(19) . . . no H1 H4 H5 116.5(19) . . . no H1 H4 H8 165.5(7) . . . no H1 H4 H8 165.5(7) . . . no H1 H4 H9 149.7(16) . . . no H1 H4 H10 82.8(11) . . . no H1 H4 H1 148.0(11) 2_746 2_746 2_746 no H1 H4 H2 38.1(5) 2_746 2_746 2_746 no H1 H4 H2 167.7(11) 2_746 2_746 2_746 no H1 H4 H3 144.5(10) 2_746 2_746 2_746 no H1 H4 H3 54.3(5) 2_746 2_746 2_746 no H1 H4 H5 76.2(10) 2_746 2_746 2_746 no H1 H4 H5 125.5(14) 2_746 2_746 2_746 no H1 H4 H8 91.5(6) 2_746 2_746 2_746 no H1 H4 H8 118.7(8) 2_746 2_746 2_746 no H1 H4 H9 101.4(6) 2_746 2_746 2_746 no H1 H4 H10 91.8(7) 2_746 2_746 2_746 no H1 H4 H2 167.7(11) 2_756 2_756 2_756 no H1 H4 H2 38.1(5) 2_756 2_756 2_756 no H1 H4 H3 54.3(5) 2_756 2_756 2_756 no H1 H4 H3 144.5(10) 2_756 2_756 2_756 no H1 H4 H5 125.5(14) 2_756 2_756 2_756 no H1 H4 H5 76.2(10) 2_756 2_756 2_756 no H1 H4 H8 118.7(8) 2_756 2_756 2_756 no H1 H4 H8 91.5(6) 2_756 2_756 2_756 no H1 H4 H9 101.4(6) 2_756 2_756 2_756 no H1 H4 H10 91.8(7) 2_756 2_756 2_756 no H2 H4 H2 133.1(10) 2_746 2_746 2_746 no H2 H4 H3 114.5(9) 2_746 2_746 2_746 no H2 H4 H3 23.1(5) 2_746 2_746 2_746 no H2 H4 H5 61.7(11) 2_746 2_746 2_746 no H2 H4 H5 108.0(14) 2_746 2_746 2_746 no H2 H4 H8 53.4(6) 2_746 2_746 2_746 no H2 H4 H8 80.7(8) 2_746 2_746 2_746 no H2 H4 H9 67.3(5) 2_746 2_746 2_746 no H2 H4 H10 99.1(7) 2_746 2_746 2_746 no H2 H4 H3 23.1(5) 2_756 2_756 2_756 no H2 H4 H3 114.5(9) 2_756 2_756 2_756 no H2 H4 H5 108.0(14) 2_756 2_756 2_756 no H2 H4 H5 61.7(11) 2_756 2_756 2_756 no H2 H4 H8 80.7(8) 2_756 2_756 2_756 no H2 H4 H8 53.4(6) 2_756 2_756 2_756 no H2 H4 H9 67.3(5) 2_756 2_756 2_756 no H2 H4 H10 99.1(7) 2_756 2_756 2_756 no H3 H4 H3 93.3(10) 2_756 2_756 2_756 no H3 H4 H5 114.0(15) 2_756 2_756 2_756 no H3 H4 H5 77.7(12) 2_756 2_756 2_756 no H3 H4 H8 67.5(7) 2_756 2_756 2_756 no H3 H4 H8 43.4(6) 2_756 2_756 2_756 no H3 H4 H9 47.2(5) 2_756 2_756 2_756 no H3 H4 H10 119.4(7) 2_756 2_756 2_756 no H3 H4 H5 77.7(12) 3_756 3_756 3_756 no H3 H4 H5 114.0(15) 3_756 3_756 3_756 no H3 H4 H8 43.4(6) 3_756 3_756 3_756 no H3 H4 H8 67.5(7) 3_756 3_756 3_756 no H3 H4 H9 47.2(5) 3_756 3_756 3_756 no H3 H4 H10 119.4(7) 3_756 3_756 3_756 no H5 H4 H5 50.5(21) . . . no H5 H4 H8 62.0(13) . . . no H5 H4 H8 74.5(14) . . . no H5 H4 H9 90.7(16) . . . no H5 H4 H10 43.6(13) . . . no H5 H4 H8 74.5(14) 4 4 4 no H5 H4 H8 62.0(13) 4 4 4 no H5 H4 H9 90.7(16) 4 4 4 no H5 H4 H10 43.6(13) 4 4 4 no H8 H4 H8 27.3(10) 1_554 1_554 1_554 no H8 H4 H9 28.7(7) 1_554 1_554 1_554 no H8 H4 H10 101.6(10) 1_554 1_554 1_554 no H8 H4 H9 28.7(7) 4_554 4_554 4_554 no H8 H4 H10 101.6(10) 4_554 4_554 4_554 no H9 H4 H10 127.5(13) 1_554 1_554 1_554 no CL1 H5 O1 88.0(7) 2_646 2_646 2_646 no CL1 H5 N1 56.3(4) 2_646 2_646 2_646 no CL1 H5 N2 61.1(5) 2_646 2_646 2_646 no CL1 H5 N2 63.8(4) 2_646 2_646 2_646 no CL1 H5 C1 63.9(4) 2_646 2_646 2_646 no CL1 H5 C1 67.7(5) 2_646 2_646 2_646 no CL1 H5 C2 90.5(8) 2_646 2_646 2_646 no CL1 H5 C3 106.9(7) 2_646 2_646 2_646 no CL1 H5 C5 136.3(8) 2_646 2_646 2_646 no CL1 H5 C6 111.4(17) 2_646 2_646 2_646 no CL1 H5 C8 62.0(4) 2_646 2_646 2_646 no CL1 H5 C11 110.7(7) 2_646 2_646 2_646 no CL1 H5 H1 121.4(7) 2_646 2_646 2_646 no CL1 H5 H1 132.2(9) 2_646 2_646 2_646 no CL1 H5 H2 126.6(10) 2_646 2_646 2_646 no CL1 H5 H3 138.7(8) 2_646 2_646 2_646 no CL1 H5 H4 140.1(15) 2_646 2_646 2_646 no CL1 H5 H5 78.1(5) 2_646 2_646 2_646 no CL1 H5 H6 45.4(4) 2_646 2_646 2_646 no CL1 H5 H6 50.0(5) 2_646 2_646 2_646 no CL1 H5 H8 106.8(9) 2_646 2_646 2_646 no CL1 H5 H8 99.3(8) 2_646 2_646 2_646 no CL1 H5 H9 126.9(9) 2_646 2_646 2_646 no CL1 H5 H10 41.4(8) 2_646 2_646 2_646 no CL1 H5 H10 73.3(6) 2_646 2_646 2_646 no O1 H5 N1 34.1(3) 2_646 2_646 2_646 no O1 H5 N2 97.0(8) 2_646 2_646 2_646 no O1 H5 N2 34.5(3) 2_646 2_646 2_646 no O1 H5 C1 92.4(6) 2_646 2_646 2_646 no O1 H5 C1 20.8(2) 2_646 2_646 2_646 no O1 H5 C2 108.2(10) 2_646 2_646 2_646 no O1 H5 C3 105.1(7) 2_646 2_646 2_646 no O1 H5 C5 56.6(4) 2_646 2_646 2_646 no O1 H5 C6 142.2(18) 2_646 2_646 2_646 no O1 H5 C8 59.2(5) 2_646 2_646 2_646 no O1 H5 C11 108.5(7) 2_646 2_646 2_646 no O1 H5 H1 107.6(7) 2_646 2_646 2_646 no O1 H5 H1 50.3(5) 2_646 2_646 2_646 no O1 H5 H2 45.7(6) 2_646 2_646 2_646 no O1 H5 H3 69.0(6) 2_646 2_646 2_646 no O1 H5 H4 128.0(13) 2_646 2_646 2_646 no O1 H5 H5 166.1(5) 2_646 2_646 2_646 no O1 H5 H6 113.0(8) 2_646 2_646 2_646 no O1 H5 H6 69.4(7) 2_646 2_646 2_646 no O1 H5 H8 93.5(9) 2_646 2_646 2_646 no O1 H5 H8 121.3(9) 2_646 2_646 2_646 no O1 H5 H9 112.1(8) 2_646 2_646 2_646 no O1 H5 H10 94.3(8) 2_646 2_646 2_646 no O1 H5 H10 37.4(4) 2_646 2_646 2_646 no N1 H5 N2 90.5(7) 2_646 2_646 2_646 no N1 H5 N2 34.2(2) 2_646 2_646 2_646 no N1 H5 C1 88.4(5) 2_646 2_646 2_646 no N1 H5 C1 19.3(2) 2_646 2_646 2_646 no N1 H5 C2 116.0(9) 2_646 2_646 2_646 no N1 H5 C3 122.6(7) 2_646 2_646 2_646 no N1 H5 C5 82.1(5) 2_646 2_646 2_646 no N1 H5 C6 158.5(17) 2_646 2_646 2_646 no N1 H5 C8 36.7(3) 2_646 2_646 2_646 no N1 H5 C11 106.0(6) 2_646 2_646 2_646 no N1 H5 H1 132.3(7) 2_646 2_646 2_646 no N1 H5 H1 84.2(6) 2_646 2_646 2_646 no N1 H5 H2 71.4(7) 2_646 2_646 2_646 no N1 H5 H3 90.2(6) 2_646 2_646 2_646 no N1 H5 H4 162.1(13) 2_646 2_646 2_646 no N1 H5 H5 133.1(4) 2_646 2_646 2_646 no N1 H5 H6 80.6(6) 2_646 2_646 2_646 no N1 H5 H6 41.0(5) 2_646 2_646 2_646 no N1 H5 H8 91.1(8) 2_646 2_646 2_646 no N1 H5 H8 110.2(8) 2_646 2_646 2_646 no N1 H5 H9 119.1(8) 2_646 2_646 2_646 no N1 H5 H10 77.8(8) 2_646 2_646 2_646 no N1 H5 H10 46.3(5) 2_646 2_646 2_646 no N2 H5 N2 64.2(5) . . . no N2 H5 C1 5.5(2) . . . no N2 H5 C1 83.1(7) . . . no N2 H5 C2 30.6(3) . . . no N2 H5 C3 46.1(4) . . . no N2 H5 C5 139.3(8) . . . no N2 H5 C6 68.1(13) . . . no N2 H5 C8 118.3(8) . . . no N2 H5 C11 153.3(10) . . . no N2 H5 H1 61.1(6) . . . no N2 H5 H1 97.4(8) . . . no N2 H5 H2 134.1(10) . . . no N2 H5 H3 151.7(9) . . . no N2 H5 H4 94.2(16) . . . no N2 H5 H5 75.1(6) . . . no N2 H5 H6 96.0(7) . . . no N2 H5 H6 109.5(9) . . . no N2 H5 H8 163.6(12) . . . no N2 H5 H8 137.3(10) . . . no N2 H5 H9 149.3(11) . . . no N2 H5 H10 19.7(7) . . . no N2 H5 H10 59.7(6) . . . no N2 H5 C1 60.4(4) 2_646 2_646 2_646 no N2 H5 C1 19.5(2) 2_646 2_646 2_646 no N2 H5 C2 83.6(7) 2_646 2_646 2_646 no N2 H5 C3 88.5(5) 2_646 2_646 2_646 no N2 H5 C5 90.0(6) 2_646 2_646 2_646 no N2 H5 C6 126.4(16) 2_646 2_646 2_646 no N2 H5 C8 70.9(5) 2_646 2_646 2_646 no N2 H5 C11 138.2(7) 2_646 2_646 2_646 no N2 H5 H1 98.6(6) 2_646 2_646 2_646 no N2 H5 H1 68.4(6) 2_646 2_646 2_646 no N2 H5 H2 79.6(7) 2_646 2_646 2_646 no N2 H5 H3 103.2(7) 2_646 2_646 2_646 no N2 H5 H4 136.0(15) 2_646 2_646 2_646 no N2 H5 H5 133.8(4) 2_646 2_646 2_646 no N2 H5 H6 104.5(7) 2_646 2_646 2_646 no N2 H5 H6 73.6(6) 2_646 2_646 2_646 no N2 H5 H8 122.6(10) 2_646 2_646 2_646 no N2 H5 H8 144.4(9) 2_646 2_646 2_646 no N2 H5 H9 146.1(8) 2_646 2_646 2_646 no N2 H5 H10 59.8(5) 2_646 2_646 2_646 no N2 H5 H10 12.9(4) 2_646 2_646 2_646 no C1 H5 C1 79.6(5) . . . no C1 H5 C2 30.1(4) . . . no C1 H5 C3 44.4(3) . . . no C1 H5 C5 133.9(7) . . . no C1 H5 C6 70.1(13) . . . no C1 H5 C8 118.4(7) . . . no C1 H5 C11 158.5(8) . . . no C1 H5 H1 59.5(5) . . . no C1 H5 H1 92.1(6) . . . no C1 H5 H2 128.6(9) . . . no C1 H5 H3 146.5(8) . . . no C1 H5 H4 94.6(15) . . . no C1 H5 H5 80.2(4) . . . no C1 H5 H6 100.7(6) . . . no C1 H5 H6 110.8(7) . . . no C1 H5 H8 168.8(10) . . . no C1 H5 H8 142.8(9) . . . no C1 H5 H9 152.3(9) . . . no C1 H5 H10 22.8(7) . . . no C1 H5 H10 55.1(4) . . . no C1 H5 C2 102.7(9) 2_646 2_646 2_646 no C1 H5 C3 105.8(7) 2_646 2_646 2_646 no C1 H5 C5 76.8(5) 2_646 2_646 2_646 no C1 H5 C6 145.0(18) 2_646 2_646 2_646 no C1 H5 C8 54.4(4) 2_646 2_646 2_646 no C1 H5 C11 118.8(7) 2_646 2_646 2_646 no C1 H5 H1 113.6(7) 2_646 2_646 2_646 no C1 H5 H1 67.7(6) 2_646 2_646 2_646 no C1 H5 H2 65.8(7) 2_646 2_646 2_646 no C1 H5 H3 88.4(6) 2_646 2_646 2_646 no C1 H5 H4 144.8(14) 2_646 2_646 2_646 no C1 H5 H5 145.3(4) 2_646 2_646 2_646 no C1 H5 H6 99.1(7) 2_646 2_646 2_646 no C1 H5 H6 60.2(6) 2_646 2_646 2_646 no C1 H5 H8 103.1(9) 2_646 2_646 2_646 no C1 H5 H8 126.7(9) 2_646 2_646 2_646 no C1 H5 H9 127.5(8) 2_646 2_646 2_646 no C1 H5 H10 76.1(7) 2_646 2_646 2_646 no C1 H5 H10 29.1(4) 2_646 2_646 2_646 no C2 H5 C3 16.6(3) . . . no C2 H5 C5 122.4(9) . . . no C2 H5 C6 43.0(10) . . . no C2 H5 C8 148.5(11) . . . no C2 H5 C11 137.9(11) . . . no C2 H5 H1 31.0(6) . . . no C2 H5 H1 83.4(8) . . . no C2 H5 H2 124.0(11) . . . no C2 H5 H3 128.6(10) . . . no C2 H5 H4 64.7(15) . . . no C2 H5 H5 70.8(7) . . . no C2 H5 H6 115.3(10) . . . no C2 H5 H6 139.9(11) . . . no C2 H5 H8 152.9(13) . . . no C2 H5 H8 129.7(12) . . . no C2 H5 H9 124.3(12) . . . no C2 H5 H10 49.7(8) . . . no C2 H5 H10 74.1(8) . . . no C3 H5 C5 106.7(6) . . . no C3 H5 C6 39.4(11) . . . no C3 H5 C8 159.2(8) . . . no C3 H5 C11 129.6(8) . . . no C3 H5 H1 15.1(4) . . . no C3 H5 H1 70.4(6) . . . no C3 H5 H2 109.7(9) . . . no C3 H5 H3 112.0(8) . . . no C3 H5 H4 53.1(14) . . . no C3 H5 H5 77.9(5) . . . no C3 H5 H6 129.4(8) . . . no C3 H5 H6 155.2(9) . . . no C3 H5 H8 141.8(10) . . . no C3 H5 H8 127.1(9) . . . no C3 H5 H9 113.4(9) . . . no C3 H5 H10 65.7(8) . . . no C3 H5 H10 76.9(6) . . . no C5 H5 C6 112.3(16) 2_746 2_746 2_746 no C5 H5 C8 76.9(5) 2_746 2_746 2_746 no C5 H5 C11 65.3(4) 2_746 2_746 2_746 no C5 H5 H1 95.4(6) 2_746 2_746 2_746 no C5 H5 H1 42.2(5) 2_746 2_746 2_746 no C5 H5 H2 11.0(5) 2_746 2_746 2_746 no C5 H5 H3 14.3(4) 2_746 2_746 2_746 no C5 H5 H4 83.1(11) 2_746 2_746 2_746 no C5 H5 H5 136.2(4) 2_746 2_746 2_746 no C5 H5 H6 121.7(6) 2_746 2_746 2_746 no C5 H5 H6 90.6(6) 2_746 2_746 2_746 no C5 H5 H8 57.0(7) 2_746 2_746 2_746 no C5 H5 H8 81.8(7) 2_746 2_746 2_746 no C5 H5 H9 59.8(4) 2_746 2_746 2_746 no C5 H5 H10 148.1(10) 2_746 2_746 2_746 no C5 H5 H10 88.0(6) 2_746 2_746 2_746 no C6 H5 C8 158.6(18) . . . no C6 H5 C11 94.8(16) . . . no C6 H5 H1 34.7(11) . . . no C6 H5 H1 95.8(16) . . . no C6 H5 H2 121.6(18) . . . no C6 H5 H3 107.4(17) . . . no C6 H5 H4 29.9(13) . . . no C6 H5 H5 45.6(15) . . . no C6 H5 H6 103.2(17) . . . no C6 H5 H6 147.6(19) . . . no C6 H5 H8 110.1(18) . . . no C6 H5 H8 88.4(16) . . . no C6 H5 H9 82.5(16) . . . no C6 H5 H10 82.1(15) . . . no C6 H5 H10 115.9(16) . . . no C8 H5 C11 70.9(4) 3_656 3_656 3_656 no C8 H5 H1 166.7(8) 3_656 3_656 3_656 no C8 H5 H1 103.2(7) 3_656 3_656 3_656 no C8 H5 H2 70.2(7) 3_656 3_656 3_656 no C8 H5 H3 76.6(6) 3_656 3_656 3_656 no C8 H5 H4 146.7(16) 3_656 3_656 3_656 no C8 H5 H5 114.2(4) 3_656 3_656 3_656 no C8 H5 H6 56.9(5) 3_656 3_656 3_656 no C8 H5 H6 14.1(4) 3_656 3_656 3_656 no C8 H5 H8 57.5(7) 3_656 3_656 3_656 no C8 H5 H8 73.5(6) 3_656 3_656 3_656 no C8 H5 H9 86.3(7) 3_656 3_656 3_656 no C8 H5 H10 100.1(10) 3_656 3_656 3_656 no C8 H5 H10 82.8(7) 3_656 3_656 3_656 no C11 H5 H1 116.1(8) 1_554 1_554 1_554 no C11 H5 H1 104.9(8) 1_554 1_554 1_554 no C11 H5 H2 72.1(6) 1_554 1_554 1_554 no C11 H5 H3 51.4(5) 1_554 1_554 1_554 no C11 H5 H4 76.6(14) 1_554 1_554 1_554 no C11 H5 H5 78.3(4) 1_554 1_554 1_554 no C11 H5 H6 67.1(5) 1_554 1_554 1_554 no C11 H5 H6 73.5(5) 1_554 1_554 1_554 no C11 H5 H8 15.6(5) 1_554 1_554 1_554 no C11 H5 H8 16.5(5) 1_554 1_554 1_554 no C11 H5 H9 17.4(6) 1_554 1_554 1_554 no C11 H5 H10 144.4(10) 1_554 1_554 1_554 no C11 H5 H10 145.7(8) 1_554 1_554 1_554 no H1 H5 H1 64.6(5) . . . no H1 H5 H2 100.4(8) . . . no H1 H5 H3 98.6(8) . . . no H1 H5 H4 39.7(13) . . . no H1 H5 H5 78.9(4) . . . no H1 H5 H6 135.5(9) . . . no H1 H5 H6 170.1(9) . . . no H1 H5 H8 127.1(10) . . . no H1 H5 H8 116.6(9) . . . no H1 H5 H9 99.3(9) . . . no H1 H5 H10 80.6(9) . . . no H1 H5 H10 86.1(7) . . . no H1 H5 H2 40.7(6) 2_746 2_746 2_746 no H1 H5 H3 54.5(6) 2_746 2_746 2_746 no H1 H5 H4 78.0(11) 2_746 2_746 2_746 no H1 H5 H5 141.0(5) 2_746 2_746 2_746 no H1 H5 H6 159.8(9) 2_746 2_746 2_746 no H1 H5 H6 116.3(8) 2_746 2_746 2_746 no H1 H5 H8 98.9(9) 2_746 2_746 2_746 no H1 H5 H8 120.7(9) 2_746 2_746 2_746 no H1 H5 H9 93.9(8) 2_746 2_746 2_746 no H1 H5 H10 110.7(10) 2_746 2_746 2_746 no H1 H5 H10 59.4(7) 2_746 2_746 2_746 no H2 H5 H3 23.7(5) 2_746 2_746 2_746 no H2 H5 H4 93.2(13) 2_746 2_746 2_746 no H2 H5 H5 146.6(7) 2_746 2_746 2_746 no H2 H5 H6 120.6(9) 2_746 2_746 2_746 no H2 H5 H6 84.2(8) 2_746 2_746 2_746 no H2 H5 H8 61.4(8) 2_746 2_746 2_746 no H2 H5 H8 88.4(9) 2_746 2_746 2_746 no H2 H5 H9 69.0(7) 2_746 2_746 2_746 no H2 H5 H10 138.8(11) 2_746 2_746 2_746 no H2 H5 H10 78.6(8) 2_746 2_746 2_746 no H3 H5 H4 77.5(13) 3_756 3_756 3_756 no H3 H5 H5 122.9(5) 3_756 3_756 3_756 no H3 H5 H6 112.0(7) 3_756 3_756 3_756 no H3 H5 H6 89.1(7) 3_756 3_756 3_756 no H3 H5 H8 44.6(7) 3_756 3_756 3_756 no H3 H5 H8 67.9(7) 3_756 3_756 3_756 no H3 H5 H9 45.6(5) 3_756 3_756 3_756 no H3 H5 H10 162.4(10) 3_756 3_756 3_756 no H3 H5 H10 102.1(7) 3_756 3_756 3_756 no H4 H5 H5 64.8(10) . . . no H4 H5 H6 116.0(14) . . . no H4 H5 H6 149.4(17) . . . no H4 H5 H8 89.2(15) . . . no H4 H5 H8 77.5(14) . . . no H4 H5 H9 60.5(15) . . . no H4 H5 H10 110.7(17) . . . no H4 H5 H10 123.2(16) . . . no H5 H5 H6 57.7(5) 4 4 4 no H5 H5 H6 102.0(6) 4 4 4 no H5 H5 H8 92.0(8) 4 4 4 no H5 H5 H8 63.4(6) 4 4 4 no H5 H5 H9 78.1(5) 4 4 4 no H5 H5 H10 74.4(6) 4 4 4 no H5 H5 H10 134.0(5) 4 4 4 no H6 H5 H6 44.4(8) 2_656 2_656 2_656 no H6 H5 H8 68.2(7) 2_656 2_656 2_656 no H6 H5 H8 54.0(6) 2_656 2_656 2_656 no H6 H5 H9 82.0(7) 2_656 2_656 2_656 no H6 H5 H10 79.1(9) 2_656 2_656 2_656 no H6 H5 H10 116.2(8) 2_656 2_656 2_656 no H6 H5 H8 62.7(7) 3_656 3_656 3_656 no H6 H5 H8 71.9(7) 3_656 3_656 3_656 no H6 H5 H9 90.5(8) 3_656 3_656 3_656 no H6 H5 H10 90.2(10) 3_656 3_656 3_656 no H6 H5 H10 86.3(8) 3_656 3_656 3_656 no H8 H5 H8 28.6(10) 1_554 1_554 1_554 no H8 H5 H9 28.8(7) 1_554 1_554 1_554 no H8 H5 H10 146.9(12) 1_554 1_554 1_554 no H8 H5 H10 130.3(11) 1_554 1_554 1_554 no H8 H5 H9 28.0(6) 4_554 4_554 4_554 no H8 H5 H10 128.3(10) 4_554 4_554 4_554 no H8 H5 H10 155.7(10) 4_554 4_554 4_554 no H9 H5 H10 152.0(10) 1_554 1_554 1_554 no H9 H5 H10 147.6(8) 1_554 1_554 1_554 no H10 H5 H10 60.3(5) . . . no CL1 H6 O1 84.6(5) 1_545 1_545 1_545 no CL1 H6 N1 80.4(5) 1_545 1_545 1_545 no CL1 H6 C1 73.8(4) 1_545 1_545 1_545 no CL1 H6 C4 70.7(4) 1_545 1_545 1_545 no CL1 H6 C5 82.0(4) 1_545 1_545 1_545 no CL1 H6 C7 114.0(8) 1_545 1_545 1_545 no CL1 H6 C8 148.9(15) 1_545 1_545 1_545 no CL1 H6 C8 127.8(7) 1_545 1_545 1_545 no CL1 H6 C8 68.4(5) 1_545 1_545 1_545 no CL1 H6 C9 175.0(10) 1_545 1_545 1_545 no CL1 H6 C9 149.5(7) 1_545 1_545 1_545 no CL1 H6 C10 170.8(8) 1_545 1_545 1_545 no CL1 H6 C11 106.4(6) 1_545 1_545 1_545 no CL1 H6 H3 83.2(6) 1_545 1_545 1_545 no CL1 H6 H3 95.5(6) 1_545 1_545 1_545 no CL1 H6 H5 57.4(5) 1_545 1_545 1_545 no CL1 H6 H5 65.0(5) 1_545 1_545 1_545 no CL1 H6 H6 60.7(4) 1_545 1_545 1_545 no CL1 H6 H7 151.1(11) 1_545 1_545 1_545 no CL1 H6 H7 101.3(8) 1_545 1_545 1_545 no CL1 H6 H8 96.2(7) 1_545 1_545 1_545 no CL1 H6 H8 111.3(8) 1_545 1_545 1_545 no CL1 H6 H9 64.4(7) 1_545 1_545 1_545 no O1 H6 N1 41.1(3) . . . no O1 H6 C1 20.41(13) . . . no O1 H6 C4 62.3(4) . . . no O1 H6 C5 84.4(5) . . . no O1 H6 C7 50.8(4) . . . no O1 H6 C8 73.1(11) . . . no O1 H6 C8 59.0(4) . . . no O1 H6 C8 129.9(6) . . . no O1 H6 C9 100.2(8) . . . no O1 H6 C9 74.2(4) . . . no O1 H6 C10 90.2(5) . . . no O1 H6 C11 84.0(4) . . . no O1 H6 H3 97.0(7) . . . no O1 H6 H3 82.5(6) . . . no O1 H6 H5 69.0(5) . . . no O1 H6 H5 49.0(5) . . . no O1 H6 H6 126.0(4) . . . no O1 H6 H7 117.6(9) . . . no O1 H6 H7 138.7(6) . . . no O1 H6 H8 92.2(5) . . . no O1 H6 H8 76.4(6) . . . no O1 H6 H9 136.5(8) . . . no N1 H6 C1 23.9(2) . . . no N1 H6 C4 22.8(2) . . . no N1 H6 C5 43.3(3) . . . no N1 H6 C7 33.7(3) . . . no N1 H6 C8 68.5(11) . . . no N1 H6 C8 47.4(4) . . . no N1 H6 C8 148.8(7) . . . no N1 H6 C9 104.2(9) . . . no N1 H6 C9 69.2(5) . . . no N1 H6 C10 90.6(7) . . . no N1 H6 C11 124.5(6) . . . no N1 H6 H3 56.0(6) . . . no N1 H6 H3 43.3(5) . . . no N1 H6 H5 101.0(6) . . . no N1 H6 H5 84.4(6) . . . no N1 H6 H6 141.1(5) . . . no N1 H6 H7 128.4(11) . . . no N1 H6 H7 178.2(9) . . . no N1 H6 H8 133.3(7) . . . no N1 H6 H8 116.0(8) . . . no N1 H6 H9 101.1(7) . . . no C1 H6 C4 42.7(3) . . . no C1 H6 C5 66.1(4) . . . no C1 H6 C7 47.0(4) . . . no C1 H6 C8 78.1(12) . . . no C1 H6 C8 59.1(4) . . . no C1 H6 C8 134.7(6) . . . no C1 H6 C9 111.3(9) . . . no C1 H6 C9 79.1(5) . . . no C1 H6 C10 98.9(6) . . . no C1 H6 C11 103.6(5) . . . no C1 H6 H3 78.7(6) . . . no C1 H6 H3 67.2(5) . . . no C1 H6 H5 78.2(5) . . . no C1 H6 H5 60.6(5) . . . no C1 H6 H6 128.2(4) . . . no C1 H6 H7 132.9(10) . . . no C1 H6 H7 156.5(7) . . . no C1 H6 H8 110.2(6) . . . no C1 H6 H8 96.5(7) . . . no C1 H6 H9 116.5(7) . . . no C4 H6 C5 24.6(2) . . . no C4 H6 C7 47.6(4) . . . no C4 H6 C8 79.8(12) . . . no C4 H6 C8 59.9(4) . . . no C4 H6 C8 134.9(6) . . . no C4 H6 C9 112.8(9) . . . no C4 H6 C9 80.1(5) . . . no C4 H6 C10 100.1(6) . . . no C4 H6 C11 146.2(6) . . . no C4 H6 H3 36.5(5) . . . no C4 H6 H3 31.3(4) . . . no C4 H6 H5 110.1(6) . . . no C4 H6 H5 98.4(6) . . . no C4 H6 H6 127.9(4) . . . no C4 H6 H7 134.7(10) . . . no C4 H6 H7 158.1(7) . . . no C4 H6 H8 151.7(7) . . . no C4 H6 H8 138.4(8) . . . no C4 H6 H9 78.3(5) . . . no C5 H6 C7 52.4(4) . . . no C5 H6 C8 74.7(11) . . . no C5 H6 C8 60.1(4) . . . no C5 H6 C8 129.3(6) . . . no C5 H6 C9 99.9(7) . . . no C5 H6 C9 74.5(4) . . . no C5 H6 C10 89.9(5) . . . no C5 H6 C11 164.8(7) . . . no C5 H6 H3 12.7(5) . . . no C5 H6 H3 13.8(4) . . . no C5 H6 H5 132.2(6) . . . no C5 H6 H5 122.8(7) . . . no C5 H6 H6 125.1(4) . . . no C5 H6 H7 116.5(9) . . . no C5 H6 H7 136.9(6) . . . no C5 H6 H8 176.3(7) . . . no C5 H6 H8 155.0(9) . . . no C5 H6 H9 62.7(4) . . . no C7 H6 C8 34.9(8) . . . no C7 H6 C8 13.7(2) . . . no C7 H6 C8 177.5(8) . . . no C7 H6 C9 70.5(7) . . . no C7 H6 C9 35.6(4) . . . no C7 H6 C10 57.0(5) . . . no C7 H6 C11 112.4(7) . . . no C7 H6 H3 62.1(7) . . . no C7 H6 H3 42.2(5) . . . no C7 H6 H5 119.7(8) . . . no C7 H6 H5 99.5(8) . . . no C7 H6 H6 174.7(5) . . . no C7 H6 H7 94.8(10) . . . no C7 H6 H7 144.6(9) . . . no C7 H6 H8 126.0(8) . . . no C7 H6 H8 102.6(9) . . . no C7 H6 H9 113.8(8) . . . no C8 H6 C8 21.1(8) . . . no C8 H6 C8 142.7(13) . . . no C8 H6 C9 35.7(7) . . . no C8 H6 C9 1.1(8) . . . no C8 H6 C10 22.1(8) . . . no C8 H6 C11 92.6(11) . . . no C8 H6 H3 78.5(12) . . . no C8 H6 H3 61.0(11) . . . no C8 H6 H5 128.7(14) . . . no C8 H6 H5 111.5(13) . . . no C8 H6 H6 150.4(11) . . . no C8 H6 H7 59.9(11) . . . no C8 H6 H7 109.7(12) . . . no C8 H6 H8 105.7(12) . . . no C8 H6 H8 84.5(12) . . . no C8 H6 H9 119.4(13) . . . no C8 H6 C8 163.8(6) 4 4 4 no C8 H6 C9 56.8(5) 4 4 4 no C8 H6 C9 21.8(1) 4 4 4 no C8 H6 C10 43.2(3) 4 4 4 no C8 H6 C11 105.3(5) 4 4 4 no C8 H6 H3 67.5(7) 4 4 4 no C8 H6 H3 47.7(5) 4 4 4 no C8 H6 H5 125.2(7) 4 4 4 no C8 H6 H5 105.2(7) 4 4 4 no C8 H6 H6 171.5(3) 4 4 4 no C8 H6 H7 81.0(8) 4 4 4 no C8 H6 H7 130.9(7) 4 4 4 no C8 H6 H8 119.2(7) 4 4 4 no C8 H6 H8 95.9(7) 4 4 4 no C8 H6 H9 117.0(6) 4 4 4 no C8 H6 C9 107.0(7) 4_545 4_545 4_545 no C8 H6 C9 142.0(5) 4_545 4_545 4_545 no C8 H6 C10 120.6(5) 4_545 4_545 4_545 no C8 H6 C11 65.9(3) 4_545 4_545 4_545 no C8 H6 H3 119.3(8) 4_545 4_545 4_545 no C8 H6 H3 139.1(7) 4_545 4_545 4_545 no C8 H6 H5 60.9(6) 4_545 4_545 4_545 no C8 H6 H5 81.0(6) 4_545 4_545 4_545 no C8 H6 H6 7.7(3) 4_545 4_545 4_545 no C8 H6 H7 82.8(8) 4_545 4_545 4_545 no C8 H6 H7 33.0(4) 4_545 4_545 4_545 no C8 H6 H8 52.4(5) 4_545 4_545 4_545 no C8 H6 H8 75.7(7) 4_545 4_545 4_545 no C8 H6 H9 67.5(5) 4_545 4_545 4_545 no C9 H6 C9 35.0(4) . . . no C9 H6 C10 13.6(3) . . . no C9 H6 C11 72.8(5) . . . no C9 H6 H3 97.6(9) . . . no C9 H6 H3 86.7(7) . . . no C9 H6 H5 122.8(8) . . . no C9 H6 H5 117.1(8) . . . no C9 H6 H6 114.8(6) . . . no C9 H6 H7 24.2(6) . . . no C9 H6 H7 74.1(6) . . . no C9 H6 H8 82.1(6) . . . no C9 H6 H8 68.7(6) . . . no C9 H6 H9 112.3(9) . . . no C9 H6 C10 21.4(2) 4 4 4 no C9 H6 C11 93.0(4) 4 4 4 no C9 H6 H3 78.1(7) 4 4 4 no C9 H6 H3 60.7(5) 4 4 4 no C9 H6 H5 129.7(7) 4 4 4 no C9 H6 H5 112.6(7) 4 4 4 no C9 H6 H6 149.7(3) 4 4 4 no C9 H6 H7 59.2(7) 4 4 4 no C9 H6 H7 109.1(6) 4 4 4 no C9 H6 H8 106.0(6) 4 4 4 no C9 H6 H8 85.0(6) 4 4 4 no C9 H6 H9 118.4(7) 4 4 4 no C10 H6 C11 80.5(4) . . . no C10 H6 H3 89.9(7) . . . no C10 H6 H3 76.2(6) . . . no C10 H6 H5 127.5(6) . . . no C10 H6 H5 116.7(7) . . . no C10 H6 H6 128.3(4) . . . no C10 H6 H7 37.8(7) . . . no C10 H6 H7 87.6(5) . . . no C10 H6 H8 91.6(5) . . . no C10 H6 H8 74.6(6) . . . no C10 H6 H9 115.7(7) . . . no C11 H6 H3 170.3(8) 2_647 2_647 2_647 no C11 H6 H3 152.9(7) 2_647 2_647 2_647 no C11 H6 H5 50.8(4) 2_647 2_647 2_647 no C11 H6 H5 53.8(5) 2_647 2_647 2_647 no C11 H6 H6 69.9(3) 2_647 2_647 2_647 no C11 H6 H7 61.4(6) 2_647 2_647 2_647 no C11 H6 H7 55.0(4) 2_647 2_647 2_647 no C11 H6 H8 13.9(4) 2_647 2_647 2_647 no C11 H6 H8 9.8(5) 2_647 2_647 2_647 no C11 H6 H9 132.2(7) 2_647 2_647 2_647 no H3 H6 H3 20.0(7) . . . no H3 H6 H5 138.5(8) . . . no H3 H6 H5 133.2(8) . . . no H3 H6 H6 116.3(7) . . . no H3 H6 H7 110.0(9) . . . no H3 H6 H7 124.2(8) . . . no H3 H6 H8 170.6(9) . . . no H3 H6 H8 163.0(11) . . . no H3 H6 H9 51.9(6) . . . no H3 H6 H5 141.4(7) 4 4 4 no H3 H6 H5 127.4(7) 4 4 4 no H3 H6 H6 136.3(5) 4 4 4 no H3 H6 H7 105.1(9) 4 4 4 no H3 H6 H7 136.3(7) 4 4 4 no H3 H6 H8 166.6(8) 4 4 4 no H3 H6 H8 143.6(9) 4 4 4 no H3 H6 H9 71.7(5) 4 4 4 no H5 H6 H5 20.3(8) 2_646 2_646 2_646 no H5 H6 H6 57.7(5) 2_646 2_646 2_646 no H5 H6 H7 111.0(9) 2_646 2_646 2_646 no H5 H6 H7 79.9(7) 2_646 2_646 2_646 no H5 H6 H8 44.7(6) 2_646 2_646 2_646 no H5 H6 H8 54.1(6) 2_646 2_646 2_646 no H5 H6 H9 111.9(9) 2_646 2_646 2_646 no H5 H6 H6 78.0(6) 3_656 3_656 3_656 no H5 H6 H7 114.3(9) 3_656 3_656 3_656 no H5 H6 H7 96.2(7) 3_656 3_656 3_656 no H5 H6 H8 53.5(6) 3_656 3_656 3_656 no H5 H6 H8 52.8(7) 3_656 3_656 3_656 no H5 H6 H9 127.2(9) 3_656 3_656 3_656 no H6 H6 H7 90.5(8) 4_545 4_545 4_545 no H6 H6 H7 40.7(5) 4_545 4_545 4_545 no H6 H6 H8 56.1(5) 4_545 4_545 4_545 no H6 H6 H8 79.6(6) 4_545 4_545 4_545 no H6 H6 H9 65.1(5) 4_545 4_545 4_545 no H7 H6 H7 49.8(10) . . . no H7 H6 H8 66.4(8) . . . no H7 H6 H8 61.5(8) . . . no H7 H6 H9 102.9(9) . . . no H7 H6 H8 46.7(6) 4_545 4_545 4_545 no H7 H6 H8 63.3(7) 4_545 4_545 4_545 no H7 H6 H9 79.9(7) 4_545 4_545 4_545 no H8 H6 H8 23.5(8) 2_647 2_647 2_647 no H8 H6 H9 119.5(8) 2_647 2_647 2_647 no H8 H6 H9 141.8(10) 3_657 3_657 3_657 no C5 H7 C7 153.7(7) 2_747 2_747 2_747 no C5 H7 C8 157.5(9) 2_747 2_747 2_747 no C5 H7 C8 139.1(7) 2_747 2_747 2_747 no C5 H7 C8 54.4(3) 2_747 2_747 2_747 no C5 H7 C9 138.2(15) 2_747 2_747 2_747 no C5 H7 C9 120.3(6) 2_747 2_747 2_747 no C5 H7 C9 73.9(5) 2_747 2_747 2_747 no C5 H7 C9 84.6(5) 2_747 2_747 2_747 no C5 H7 C9 73.1(4) 2_747 2_747 2_747 no C5 H7 C10 106.7(7) 2_747 2_747 2_747 no C5 H7 C10 86.8(5) 2_747 2_747 2_747 no C5 H7 C11 74.9(4) 2_747 2_747 2_747 no C5 H7 C11 108.0(6) 2_747 2_747 2_747 no C5 H7 H2 12.5(4) 2_747 2_747 2_747 no C5 H7 H3 15.3(4) 2_747 2_747 2_747 no C5 H7 H3 10.7(5) 2_747 2_747 2_747 no C5 H7 H6 146.3(10) 2_747 2_747 2_747 no C5 H7 H6 104.5(7) 2_747 2_747 2_747 no C5 H7 H7 67.2(4) 2_747 2_747 2_747 no C5 H7 H7 96.3(8) 2_747 2_747 2_747 no C5 H7 H7 84.2(6) 2_747 2_747 2_747 no C5 H7 H8 63.0(7) 2_747 2_747 2_747 no C5 H7 H8 81.3(5) 2_747 2_747 2_747 no C5 H7 H8 104.7(7) 2_747 2_747 2_747 no C5 H7 H8 120.9(9) 2_747 2_747 2_747 no C5 H7 H9 64.4(5) 2_747 2_747 2_747 no C7 H7 C8 14.7(3) . . . no C7 H7 C8 21.3(2) . . . no C7 H7 C8 101.8(5) . . . no C7 H7 C9 22.6(9) . . . no C7 H7 C9 43.1(3) . . . no C7 H7 C9 121.3(6) . . . no C7 H7 C9 114.5(6) . . . no C7 H7 C9 85.9(5) . . . no C7 H7 C10 58.2(6) . . . no C7 H7 C10 117.9(6) . . . no C7 H7 C11 92.5(7) . . . no C7 H7 C11 98.2(5) . . . no C7 H7 H2 160.0(8) . . . no C7 H7 H3 156.8(8) . . . no C7 H7 H3 143.5(9) . . . no C7 H7 H6 39.1(6) . . . no C7 H7 H6 87.9(6) . . . no C7 H7 H7 128.6(4) . . . no C7 H7 H7 100.1(9) . . . no C7 H7 H7 73.0(6) . . . no C7 H7 H8 110.5(10) . . . no C7 H7 H8 88.5(7) . . . no C7 H7 H8 101.3(6) . . . no C7 H7 H8 84.9(7) . . . no C7 H7 H9 96.6(8) . . . no C8 H7 C8 36.0(5) . . . no C8 H7 C8 103.2(7) . . . no C8 H7 C9 37.3(8) . . . no C8 H7 C9 57.8(6) . . . no C8 H7 C9 106.6(8) . . . no C8 H7 C9 117.7(8) . . . no C8 H7 C9 84.5(6) . . . no C8 H7 C10 72.9(8) . . . no C8 H7 C10 114.8(7) . . . no C8 H7 C11 107.1(10) . . . no C8 H7 C11 92.0(6) . . . no C8 H7 H2 169.4(10) . . . no C8 H7 H3 151.6(10) . . . no C8 H7 H3 150.3(11) . . . no C8 H7 H6 24.5(6) . . . no C8 H7 H6 73.3(7) . . . no C8 H7 H7 114.0(7) . . . no C8 H7 H7 105.2(10) . . . no C8 H7 H7 73.4(7) . . . no C8 H7 H8 124.9(13) . . . no C8 H7 H8 103.0(10) . . . no C8 H7 H8 91.9(8) . . . no C8 H7 H8 80.0(8) . . . no C8 H7 H9 110.5(11) . . . no C8 H7 C8 98.9(5) 4 4 4 no C8 H7 C9 1.3(9) 4 4 4 no C8 H7 C9 21.8(2) 4 4 4 no C8 H7 C9 142.6(6) 4 4 4 no C8 H7 C9 106.8(6) 4 4 4 no C8 H7 C9 88.9(5) 4 4 4 no C8 H7 C10 36.9(4) 4 4 4 no C8 H7 C10 118.4(6) 4 4 4 no C8 H7 C11 71.1(6) 4 4 4 no C8 H7 C11 105.8(5) 4 4 4 no C8 H7 H2 140.4(7) 4 4 4 no C8 H7 H3 150.9(8) 4 4 4 no C8 H7 H3 128.5(9) 4 4 4 no C8 H7 H6 60.5(7) 4 4 4 no C8 H7 H6 109.3(6) 4 4 4 no C8 H7 H7 150.0(3) 4 4 4 no C8 H7 H7 91.3(9) 4 4 4 no C8 H7 H7 74.9(7) 4 4 4 no C8 H7 H8 89.4(9) 4 4 4 no C8 H7 H8 67.3(6) 4 4 4 no C8 H7 H8 113.7(7) 4 4 4 no C8 H7 H8 92.1(8) 4 4 4 no C8 H7 H9 76.4(7) 4 4 4 no C8 H7 C9 98.9(13) 3_757 3_757 3_757 no C8 H7 C9 94.5(5) 3_757 3_757 3_757 no C8 H7 C9 89.2(5) 3_757 3_757 3_757 no C8 H7 C9 137.3(6) 3_757 3_757 3_757 no C8 H7 C9 20.66(11) 3_757 3_757 3_757 no C8 H7 C10 91.2(7) 3_757 3_757 3_757 no C8 H7 C10 140.3(6) 3_757 3_757 3_757 no C8 H7 C11 83.0(5) 3_757 3_757 3_757 no C8 H7 C11 153.8(8) 3_757 3_757 3_757 no C8 H7 H2 66.3(6) 3_757 3_757 3_757 no C8 H7 H3 55.7(5) 3_757 3_757 3_757 no C8 H7 H3 48.0(6) 3_757 3_757 3_757 no C8 H7 H6 102.8(8) 3_757 3_757 3_757 no C8 H7 H6 96.3(6) 3_757 3_757 3_757 no C8 H7 H7 87.4(4) 3_757 3_757 3_757 no C8 H7 H7 143.9(9) 3_757 3_757 3_757 no C8 H7 H7 29.8(4) 3_757 3_757 3_757 no C8 H7 H8 89.2(7) 3_757 3_757 3_757 no C8 H7 H8 90.6(6) 3_757 3_757 3_757 no C8 H7 H8 140.6(8) 3_757 3_757 3_757 no C8 H7 H8 165.2(10) 3_757 3_757 3_757 no C8 H7 H9 64.3(7) 3_757 3_757 3_757 no C9 H7 C9 20.5(9) . . . no C9 H7 C9 143.9(15) . . . no C9 H7 C9 106.1(14) . . . no C9 H7 C9 89.2(13) . . . no C9 H7 C10 35.6(9) . . . no C9 H7 C10 118.1(14) . . . no C9 H7 C11 69.9(13) . . . no C9 H7 C11 106.0(13) . . . no C9 H7 H2 139.2(15) . . . no C9 H7 H3 150.3(16) . . . no C9 H7 H3 127.6(16) . . . no C9 H7 H6 61.8(12) . . . no C9 H7 H6 110.6(13) . . . no C9 H7 H7 151.2(12) . . . no C9 H7 H7 90.6(15) . . . no C9 H7 H7 75.2(13) . . . no C9 H7 H8 88.1(16) . . . no C9 H7 H8 66.0(13) . . . no C9 H7 H8 114.2(14) . . . no C9 H7 H8 92.3(14) . . . no C9 H7 H9 75.2(13) . . . no C9 H7 C9 164.4(6) 4 4 4 no C9 H7 C9 97.0(6) 4 4 4 no C9 H7 C9 91.9(5) 4 4 4 no C9 H7 C10 15.1(3) 4 4 4 no C9 H7 C10 114.7(6) 4 4 4 no C9 H7 C11 49.4(4) 4 4 4 no C9 H7 C11 111.6(6) 4 4 4 no C9 H7 H2 119.2(6) 4 4 4 no C9 H7 H3 134.7(8) 4 4 4 no C9 H7 H3 110.3(8) 4 4 4 no C9 H7 H6 82.3(8) 4 4 4 no C9 H7 H6 131.1(7) 4 4 4 no C9 H7 H7 171.7(3) 4 4 4 no C9 H7 H7 82.4(9) 4 4 4 no C9 H7 H7 78.8(8) 4 4 4 no C9 H7 H8 67.9(8) 4 4 4 no C9 H7 H8 45.7(5) 4 4 4 no C9 H7 H8 123.9(8) 4 4 4 no C9 H7 H8 99.3(8) 4 4 4 no C9 H7 H9 56.0(6) 4 4 4 no C9 H7 C9 90.4(5) 4_545 4_545 4_545 no C9 H7 C9 86.2(5) 4_545 4_545 4_545 no C9 H7 C10 179.4(9) 4_545 4_545 4_545 no C9 H7 C10 70.0(4) 4_545 4_545 4_545 no C9 H7 C11 146.3(7) 4_545 4_545 4_545 no C9 H7 C11 65.9(4) 4_545 4_545 4_545 no C9 H7 H2 76.1(5) 4_545 4_545 4_545 no C9 H7 H3 59.0(6) 4_545 4_545 4_545 no C9 H7 H3 83.3(8) 4_545 4_545 4_545 no C9 H7 H6 82.1(8) 4_545 4_545 4_545 no C9 H7 H6 33.3(4) 4_545 4_545 4_545 no C9 H7 H7 7.4(3) 4_545 4_545 4_545 no C9 H7 H7 103.4(10) 4_545 4_545 4_545 no C9 H7 H7 97.6(8) 4_545 4_545 4_545 no C9 H7 H8 127.4(10) 4_545 4_545 4_545 no C9 H7 H8 149.6(7) 4_545 4_545 4_545 no C9 H7 H8 51.5(5) 4_545 4_545 4_545 no C9 H7 H8 76.1(7) 4_545 4_545 4_545 no C9 H7 H9 138.2(8) 4_545 4_545 4_545 no C9 H7 C9 157.5(6) 3_657 3_657 3_657 no C9 H7 C10 89.6(7) 3_657 3_657 3_657 no C9 H7 C10 21.93(13) 3_657 3_657 3_657 no C9 H7 C11 74.1(5) 3_657 3_657 3_657 no C9 H7 C11 41.5(2) 3_657 3_657 3_657 no C9 H7 H2 72.2(6) 3_657 3_657 3_657 no C9 H7 H3 88.3(6) 3_657 3_657 3_657 no C9 H7 H3 89.6(7) 3_657 3_657 3_657 no C9 H7 H6 119.4(8) 3_657 3_657 3_657 no C9 H7 H6 106.2(7) 3_657 3_657 3_657 no C9 H7 H7 86.9(4) 3_657 3_657 3_657 no C9 H7 H7 15.5(4) 3_657 3_657 3_657 no C9 H7 H7 163.9(9) 3_657 3_657 3_657 no C9 H7 H8 58.3(7) 3_657 3_657 3_657 no C9 H7 H8 69.7(5) 3_657 3_657 3_657 no C9 H7 H8 53.7(5) 3_657 3_657 3_657 no C9 H7 H8 46.0(6) 3_657 3_657 3_657 no C9 H7 H9 89.1(8) 3_657 3_657 3_657 no C9 H7 C10 93.9(7) 3_757 3_757 3_757 no C9 H7 C10 152.5(7) 3_757 3_757 3_757 no C9 H7 C11 96.8(6) 3_757 3_757 3_757 no C9 H7 C11 149.7(7) 3_757 3_757 3_757 no C9 H7 H2 85.5(6) 3_757 3_757 3_757 no C9 H7 H3 70.9(6) 3_757 3_757 3_757 no C9 H7 H3 68.0(6) 3_757 3_757 3_757 no C9 H7 H6 82.1(7) 3_757 3_757 3_757 no C9 H7 H6 82.6(5) 3_757 3_757 3_757 no C9 H7 H7 87.1(4) 3_757 3_757 3_757 no C9 H7 H7 163.4(10) 3_757 3_757 3_757 no C9 H7 H7 14.0(3) 3_757 3_757 3_757 no C9 H7 H8 107.2(8) 3_757 3_757 3_757 no C9 H7 H8 103.3(6) 3_757 3_757 3_757 no C9 H7 H8 134.5(8) 3_757 3_757 3_757 no C9 H7 H8 152.0(8) 3_757 3_757 3_757 no C9 H7 H9 78.9(7) 3_757 3_757 3_757 no C10 H7 C10 110.0(8) . . . no C10 H7 C11 34.3(4) . . . no C10 H7 C11 113.9(8) . . . no C10 H7 H2 104.4(7) . . . no C10 H7 H3 121.6(9) . . . no C10 H7 H3 97.2(9) . . . no C10 H7 H6 97.4(10) . . . no C10 H7 H6 146.2(9) . . . no C10 H7 H7 173.2(6) . . . no C10 H7 H7 76.6(9) . . . no C10 H7 H7 82.5(9) . . . no C10 H7 H8 53.1(8) . . . no C10 H7 H8 30.8(5) . . . no C10 H7 H8 128.2(10) . . . no C10 H7 H8 103.5(10) . . . no C10 H7 H9 42.3(6) . . . no C10 H7 C11 95.8(6) 2_647 2_647 2_647 no C10 H7 C11 24.7(2) 2_647 2_647 2_647 no C10 H7 H2 75.8(6) 2_647 2_647 2_647 no C10 H7 H3 84.7(6) 2_647 2_647 2_647 no C10 H7 H3 94.9(8) 2_647 2_647 2_647 no C10 H7 H6 107.2(8) 2_647 2_647 2_647 no C10 H7 H6 84.6(6) 2_647 2_647 2_647 no C10 H7 H7 67.6(4) 2_647 2_647 2_647 no C10 H7 H7 33.4(5) 2_647 2_647 2_647 no C10 H7 H7 166.3(11) 2_647 2_647 2_647 no C10 H7 H8 78.6(7) 2_647 2_647 2_647 no C10 H7 H8 91.6(6) 2_647 2_647 2_647 no C10 H7 H8 33.3(5) 2_647 2_647 2_647 no C10 H7 H8 35.0(6) 2_647 2_647 2_647 no C10 H7 H9 109.5(8) 2_647 2_647 2_647 no C11 H7 C11 112.9(6) . . . no C11 H7 H2 70.7(4) . . . no C11 H7 H3 90.2(7) . . . no C11 H7 H3 67.1(7) . . . no C11 H7 H6 131.6(11) . . . no C11 H7 H6 179.3(8) . . . no C11 H7 H7 138.9(5) . . . no C11 H7 H7 67.6(7) . . . no C11 H7 H7 91.8(8) . . . no C11 H7 H8 20.6(6) . . . no C11 H7 H8 7.9(4) . . . no C11 H7 H8 127.2(8) . . . no C11 H7 H8 110.0(9) . . . no C11 H7 H9 18.7(6) . . . no C11 H7 H2 98.4(7) 2_647 2_647 2_647 no C11 H7 H3 102.0(7) 2_647 2_647 2_647 no C11 H7 H3 117.4(9) 2_647 2_647 2_647 no C11 H7 H6 82.4(7) 2_647 2_647 2_647 no C11 H7 H6 67.5(5) 2_647 2_647 2_647 no C11 H7 H7 66.8(4) 2_647 2_647 2_647 no C11 H7 H7 45.3(5) 2_647 2_647 2_647 no C11 H7 H7 154.3(9) 2_647 2_647 2_647 no C11 H7 H8 99.5(8) 2_647 2_647 2_647 no C11 H7 H8 106.8(6) 2_647 2_647 2_647 no C11 H7 H8 15.2(4) 2_647 2_647 2_647 no C11 H7 H8 13.7(5) 2_647 2_647 2_647 no C11 H7 H9 129.9(9) 2_647 2_647 2_647 no H2 H7 H3 22.8(5) 2_747 2_747 2_747 no H2 H7 H3 19.1(6) 2_747 2_747 2_747 no H2 H7 H6 155.6(11) 2_747 2_747 2_747 no H2 H7 H6 108.8(8) 2_747 2_747 2_747 no H2 H7 H7 68.9(4) 2_747 2_747 2_747 no H2 H7 H7 83.8(8) 2_747 2_747 2_747 no H2 H7 H7 96.1(8) 2_747 2_747 2_747 no H2 H7 H8 55.5(7) 2_747 2_747 2_747 no H2 H7 H8 76.0(5) 2_747 2_747 2_747 no H2 H7 H8 97.6(8) 2_747 2_747 2_747 no H2 H7 H8 110.6(9) 2_747 2_747 2_747 no H2 H7 H9 64.0(5) 2_747 2_747 2_747 no H3 H7 H3 24.4(8) 2_747 2_747 2_747 no H3 H7 H6 133.0(11) 2_747 2_747 2_747 no H3 H7 H6 89.2(8) 2_747 2_747 2_747 no H3 H7 H7 52.4(6) 2_747 2_747 2_747 no H3 H7 H7 102.2(9) 2_747 2_747 2_747 no H3 H7 H7 83.9(8) 2_747 2_747 2_747 no H3 H7 H8 77.4(8) 2_747 2_747 2_747 no H3 H7 H8 96.5(7) 2_747 2_747 2_747 no H3 H7 H8 95.3(8) 2_747 2_747 2_747 no H3 H7 H8 115.7(10) 2_747 2_747 2_747 no H3 H7 H9 79.3(7) 2_747 2_747 2_747 no H3 H7 H6 147.4(11) 3_757 3_757 3_757 no H3 H7 H6 112.2(9) 3_757 3_757 3_757 no H3 H7 H7 76.8(7) 3_757 3_757 3_757 no H3 H7 H7 99.3(10) 3_757 3_757 3_757 no H3 H7 H7 77.6(8) 3_757 3_757 3_757 no H3 H7 H8 58.1(8) 3_757 3_757 3_757 no H3 H7 H8 74.1(7) 3_757 3_757 3_757 no H3 H7 H8 115.1(10) 3_757 3_757 3_757 no H3 H7 H8 129.7(11) 3_757 3_757 3_757 no H3 H7 H9 54.9(7) 3_757 3_757 3_757 no H6 H7 H6 48.8(9) . . . no H6 H7 H7 89.5(8) . . . no H6 H7 H7 112.4(10) . . . no H6 H7 H7 75.7(8) . . . no H6 H7 H8 148.8(13) . . . no H6 H7 H8 127.4(11) . . . no H6 H7 H8 76.8(8) . . . no H6 H7 H8 74.1(8) . . . no H6 H7 H9 132.9(12) . . . no H6 H7 H7 40.7(5) 4_545 4_545 4_545 no H6 H7 H7 112.9(10) 4_545 4_545 4_545 no H6 H7 H7 87.8(7) 4_545 4_545 4_545 no H6 H7 H8 159.3(11) 4_545 4_545 4_545 no H6 H7 H8 172.8(7) 4_545 4_545 4_545 no H6 H7 H8 53.2(6) 4_545 4_545 4_545 no H6 H7 H8 70.6(7) 4_545 4_545 4_545 no H6 H7 H9 160.6(9) 4_545 4_545 4_545 no H7 H7 H7 100.8(8) 4_545 4_545 4_545 no H7 H7 H7 99.4(7) 4_545 4_545 4_545 no H7 H7 H8 120.2(8) 4_545 4_545 4_545 no H7 H7 H8 142.4(5) 4_545 4_545 4_545 no H7 H7 H8 53.3(6) 4_545 4_545 4_545 no H7 H7 H8 78.2(7) 4_545 4_545 4_545 no H7 H7 H9 131.6(6) 4_545 4_545 4_545 no H7 H7 H7 158.3(15) 3_657 3_657 3_657 no H7 H7 H8 56.2(8) 3_657 3_657 3_657 no H7 H7 H8 61.7(8) 3_657 3_657 3_657 no H7 H7 H8 59.9(8) 3_657 3_657 3_657 no H7 H7 H8 44.7(7) 3_657 3_657 3_657 no H7 H7 H9 85.0(10) 3_657 3_657 3_657 no H7 H7 H8 106.1(10) 3_757 3_757 3_757 no H7 H7 H8 97.2(9) 3_757 3_757 3_757 no H7 H7 H8 141.0(10) 3_757 3_757 3_757 no H7 H7 H8 149.7(10) 3_757 3_757 3_757 no H7 H7 H9 75.7(9) 3_757 3_757 3_757 no H8 H7 H8 22.3(8) . . . no H8 H7 H8 111.7(8) . . . no H8 H7 H8 100.8(9) . . . no H8 H7 H9 30.9(8) . . . no H8 H7 H8 121.5(7) 4 4 4 no H8 H7 H8 102.8(8) 4 4 4 no H8 H7 H9 26.4(7) 4 4 4 no H8 H7 H8 24.9(9) 2_647 2_647 2_647 no H8 H7 H9 142.7(10) 2_647 2_647 2_647 no H8 H7 H9 128.5(11) 3_657 3_657 3_657 no C5 H8 C6 79.6(5) 2_747 2_747 2_747 no C5 H8 C8 91.1(7) 2_747 2_747 2_747 no C5 H8 C9 92.9(7) 2_747 2_747 2_747 no C5 H8 C9 128.4(8) 2_747 2_747 2_747 no C5 H8 C9 97.6(7) 2_747 2_747 2_747 no C5 H8 C10 115.7(10) 2_747 2_747 2_747 no C5 H8 C10 85.0(6) 2_747 2_747 2_747 no C5 H8 C11 121.0(18) 2_747 2_747 2_747 no C5 H8 H2 15.0(6) 2_747 2_747 2_747 no C5 H8 H3 12.6(4) 2_747 2_747 2_747 no C5 H8 H3 116.8(7) 2_747 2_747 2_747 no C5 H8 H3 12.6(6) 2_747 2_747 2_747 no C5 H8 H4 73.5(5) 2_747 2_747 2_747 no C5 H8 H5 75.3(8) 2_747 2_747 2_747 no C5 H8 H5 96.1(8) 2_747 2_747 2_747 no C5 H8 H6 137.2(8) 2_747 2_747 2_747 no C5 H8 H6 101.3(8) 2_747 2_747 2_747 no C5 H8 H7 74.4(8) 2_747 2_747 2_747 no C5 H8 H7 136.9(8) 2_747 2_747 2_747 no C5 H8 H7 162.2(10) 2_747 2_747 2_747 no C5 H8 H7 114.4(9) 2_747 2_747 2_747 no C5 H8 H8 143.3(4) 2_747 2_747 2_747 no C5 H8 H9 86.3(12) 2_747 2_747 2_747 no C6 H8 C8 89.2(6) 1_556 1_556 1_556 no C6 H8 C9 158.0(10) 1_556 1_556 1_556 no C6 H8 C9 125.7(8) 1_556 1_556 1_556 no C6 H8 C9 114.2(8) 1_556 1_556 1_556 no C6 H8 C10 136.9(11) 1_556 1_556 1_556 no C6 H8 C10 124.3(7) 1_556 1_556 1_556 no C6 H8 C11 93.6(15) 1_556 1_556 1_556 no C6 H8 H2 72.7(6) 1_556 1_556 1_556 no C6 H8 H3 92.0(7) 1_556 1_556 1_556 no C6 H8 H3 68.1(6) 1_556 1_556 1_556 no C6 H8 H3 85.4(8) 1_556 1_556 1_556 no C6 H8 H4 15.3(5) 1_556 1_556 1_556 no C6 H8 H5 15.6(5) 1_556 1_556 1_556 no C6 H8 H5 16.7(5) 1_556 1_556 1_556 no C6 H8 H6 69.8(5) 1_556 1_556 1_556 no C6 H8 H6 77.6(6) 1_556 1_556 1_556 no C6 H8 H7 152.2(10) 1_556 1_556 1_556 no C6 H8 H7 111.0(8) 1_556 1_556 1_556 no C6 H8 H7 104.4(7) 1_556 1_556 1_556 no C6 H8 H7 121.3(9) 1_556 1_556 1_556 no C6 H8 H8 76.6(5) 1_556 1_556 1_556 no C6 H8 H9 73.9(14) 1_556 1_556 1_556 no C8 H8 C9 111.8(8) 3_657 3_657 3_657 no C8 H8 C9 128.0(7) 3_657 3_657 3_657 no C8 H8 C9 25.1(2) 3_657 3_657 3_657 no C8 H8 C10 127.9(9) 3_657 3_657 3_657 no C8 H8 C10 37.7(3) 3_657 3_657 3_657 no C8 H8 C11 147.7(20) 3_657 3_657 3_657 no C8 H8 H2 77.9(8) 3_657 3_657 3_657 no C8 H8 H3 88.8(7) 3_657 3_657 3_657 no C8 H8 H3 138.2(9) 3_657 3_657 3_657 no C8 H8 H3 102.4(10) 3_657 3_657 3_657 no C8 H8 H4 103.2(8) 3_657 3_657 3_657 no C8 H8 H5 74.4(7) 3_657 3_657 3_657 no C8 H8 H5 86.6(7) 3_657 3_657 3_657 no C8 H8 H6 60.2(5) 3_657 3_657 3_657 no C8 H8 H6 17.3(4) 3_657 3_657 3_657 no C8 H8 H7 100.8(9) 3_657 3_657 3_657 no C8 H8 H7 129.2(8) 3_657 3_657 3_657 no C8 H8 H7 71.7(6) 3_657 3_657 3_657 no C8 H8 H7 37.8(5) 3_657 3_657 3_657 no C8 H8 H8 115.9(5) 3_657 3_657 3_657 no C8 H8 H9 163.1(18) 3_657 3_657 3_657 no C9 H8 C9 45.6(4) . . . no C9 H8 C9 87.2(6) . . . no C9 H8 C10 31.0(3) . . . no C9 H8 C10 75.0(5) . . . no C9 H8 C11 72.5(14) . . . no C9 H8 H2 104.2(9) . . . no C9 H8 H3 82.3(7) . . . no C9 H8 H3 97.9(8) . . . no C9 H8 H3 83.7(9) . . . no C9 H8 H4 142.8(11) . . . no C9 H8 H5 167.0(11) . . . no C9 H8 H5 159.4(11) . . . no C9 H8 H6 125.8(8) . . . no C9 H8 H6 124.4(9) . . . no C9 H8 H7 21.4(6) . . . no C9 H8 H7 61.3(6) . . . no C9 H8 H7 89.1(7) . . . no C9 H8 H7 80.7(7) . . . no C9 H8 H8 98.8(6) . . . no C9 H8 H9 85.0(16) . . . no C9 H8 C9 107.1(6) 4 4 4 no C9 H8 C10 15.0(3) 4 4 4 no C9 H8 C10 105.7(6) 4 4 4 no C9 H8 C11 33.3(11) 4 4 4 no C9 H8 H2 143.1(10) 4 4 4 no C9 H8 H3 122.1(8) 4 4 4 no C9 H8 H3 57.9(6) 4 4 4 no C9 H8 H3 116.0(10) 4 4 4 no C9 H8 H4 118.3(9) 4 4 4 no C9 H8 H5 139.9(11) 4 4 4 no C9 H8 H5 115.8(9) 4 4 4 no C9 H8 H6 94.1(7) 4 4 4 no C9 H8 H6 126.0(9) 4 4 4 no C9 H8 H7 67.0(8) 4 4 4 no C9 H8 H7 15.7(4) 4 4 4 no C9 H8 H7 63.6(6) 4 4 4 no C9 H8 H7 90.9(8) 4 4 4 no C9 H8 H8 53.2(4) 4 4 4 no C9 H8 H9 64.8(15) 4 4 4 no C9 H8 C10 103.8(8) 3_657 3_657 3_657 no C9 H8 C10 18.0(2) 3_657 3_657 3_657 no C9 H8 C11 136.3(18) 3_657 3_657 3_657 no C9 H8 H2 88.3(8) 3_657 3_657 3_657 no C9 H8 H3 90.2(7) 3_657 3_657 3_657 no C9 H8 H3 144.7(9) 3_657 3_657 3_657 no C9 H8 H3 105.6(10) 3_657 3_657 3_657 no C9 H8 H4 128.2(10) 3_657 3_657 3_657 no C9 H8 H5 99.5(9) 3_657 3_657 3_657 no C9 H8 H5 109.9(8) 3_657 3_657 3_657 no C9 H8 H6 70.3(6) 3_657 3_657 3_657 no C9 H8 H6 38.0(5) 3_657 3_657 3_657 no C9 H8 H7 79.2(8) 3_657 3_657 3_657 no C9 H8 H7 113.5(7) 3_657 3_657 3_657 no C9 H8 H7 64.8(6) 3_657 3_657 3_657 no C9 H8 H7 17.9(5) 3_657 3_657 3_657 no C9 H8 H8 117.5(5) 3_657 3_657 3_657 no C9 H8 H9 171.5(18) 3_657 3_657 3_657 no C10 H8 C10 98.0(8) . . . no C10 H8 C11 43.4(11) . . . no C10 H8 H2 129.8(12) . . . no C10 H8 H3 108.0(10) . . . no C10 H8 H3 69.2(8) . . . no C10 H8 H3 103.9(12) . . . no C10 H8 H4 126.3(11) . . . no C10 H8 H5 152.2(13) . . . no C10 H8 H5 129.5(11) . . . no C10 H8 H6 107.1(10) . . . no C10 H8 H6 131.5(10) . . . no C10 H8 H7 52.2(8) . . . no C10 H8 H7 30.4(5) . . . no C10 H8 H7 73.6(8) . . . no C10 H8 H7 90.2(9) . . . no C10 H8 H8 68.0(7) . . . no C10 H8 H9 67.6(16) . . . no C10 H8 C11 138.7(17) 2_647 2_647 2_647 no C10 H8 H2 78.9(7) 2_647 2_647 2_647 no C10 H8 H3 75.7(6) 2_647 2_647 2_647 no C10 H8 H3 157.7(8) 2_647 2_647 2_647 no C10 H8 H3 90.8(9) 2_647 2_647 2_647 no C10 H8 H4 135.5(9) 2_647 2_647 2_647 no C10 H8 H5 108.7(9) 2_647 2_647 2_647 no C10 H8 H5 124.3(8) 2_647 2_647 2_647 no C10 H8 H6 88.3(6) 2_647 2_647 2_647 no C10 H8 H6 53.6(5) 2_647 2_647 2_647 no C10 H8 H7 63.3(7) 2_647 2_647 2_647 no C10 H8 H7 116.4(6) 2_647 2_647 2_647 no C10 H8 H7 78.4(6) 2_647 2_647 2_647 no C10 H8 H7 30.1(5) 2_647 2_647 2_647 no C10 H8 H8 131.6(4) 2_647 2_647 2_647 no C10 H8 H9 157.7(16) 2_647 2_647 2_647 no C11 H8 H2 133.5(19) . . . no C11 H8 H3 123.2(18) . . . no C11 H8 H3 25.8(11) . . . no C11 H8 H3 109.9(19) . . . no C11 H8 H4 85.1(15) . . . no C11 H8 H5 108.8(18) . . . no C11 H8 H5 87.0(15) . . . no C11 H8 H6 90.7(17) . . . no C11 H8 H6 134.6(20) . . . no C11 H8 H7 91.5(16) . . . no C11 H8 H7 23.1(12) . . . no C11 H8 H7 76.4(16) . . . no C11 H8 H7 118.5(19) . . . no C11 H8 H8 35.1(16) . . . no C11 H8 H9 37.1(13) . . . no H2 H8 H3 22.2(6) 2_747 2_747 2_747 no H2 H8 H3 123.5(8) 2_747 2_747 2_747 no H2 H8 H3 27.5(7) 2_747 2_747 2_747 no H2 H8 H4 70.3(6) 2_747 2_747 2_747 no H2 H8 H5 65.2(8) 2_747 2_747 2_747 no H2 H8 H5 88.3(8) 2_747 2_747 2_747 no H2 H8 H6 122.7(9) 2_747 2_747 2_747 no H2 H8 H6 86.7(9) 2_747 2_747 2_747 no H2 H8 H7 84.1(10) 2_747 2_747 2_747 no H2 H8 H7 151.6(10) 2_747 2_747 2_747 no H2 H8 H7 149.6(11) 2_747 2_747 2_747 no H2 H8 H7 106.1(10) 2_747 2_747 2_747 no H2 H8 H8 146.2(5) 2_747 2_747 2_747 no H2 H8 H9 97.0(14) 2_747 2_747 2_747 no H3 H8 H3 125.0(9) 2_747 2_747 2_747 no H3 H8 H3 15.3(6) 2_747 2_747 2_747 no H3 H8 H4 86.1(7) 2_747 2_747 2_747 no H3 H8 H5 86.6(9) 2_747 2_747 2_747 no H3 H8 H5 108.3(9) 2_747 2_747 2_747 no H3 H8 H6 143.1(9) 2_747 2_747 2_747 no H3 H8 H6 101.7(9) 2_747 2_747 2_747 no H3 H8 H7 62.8(8) 2_747 2_747 2_747 no H3 H8 H7 133.8(9) 2_747 2_747 2_747 no H3 H8 H7 154.0(9) 2_747 2_747 2_747 no H3 H8 H7 105.7(9) 2_747 2_747 2_747 no H3 H8 H8 152.2(5) 2_747 2_747 2_747 no H3 H8 H9 92.1(12) 2_747 2_747 2_747 no H3 H8 H3 109.7(12) 2_757 2_757 2_757 no H3 H8 H4 61.1(6) 2_757 2_757 2_757 no H3 H8 H5 83.1(9) 2_757 2_757 2_757 no H3 H8 H5 61.5(7) 2_757 2_757 2_757 no H3 H8 H6 78.8(7) 2_757 2_757 2_757 no H3 H8 H6 121.1(9) 2_757 2_757 2_757 no H3 H8 H7 115.7(10) 2_757 2_757 2_757 no H3 H8 H7 44.5(6) 2_757 2_757 2_757 no H3 H8 H7 80.3(7) 2_757 2_757 2_757 no H3 H8 H7 128.7(10) 2_757 2_757 2_757 no H3 H8 H8 27.2(5) 2_757 2_757 2_757 no H3 H8 H9 34.1(11) 2_757 2_757 2_757 no H3 H8 H4 76.4(9) 3_757 3_757 3_757 no H3 H8 H5 83.8(10) 3_757 3_757 3_757 no H3 H8 H5 102.0(10) 3_757 3_757 3_757 no H3 H8 H6 148.9(11) 3_757 3_757 3_757 no H3 H8 H6 113.6(12) 3_757 3_757 3_757 no H3 H8 H7 67.3(10) 3_757 3_757 3_757 no H3 H8 H7 124.4(11) 3_757 3_757 3_757 no H3 H8 H7 168.3(12) 3_757 3_757 3_757 no H3 H8 H7 120.9(12) 3_757 3_757 3_757 no H3 H8 H8 136.9(8) 3_757 3_757 3_757 no H3 H8 H9 77.0(12) 3_757 3_757 3_757 no H4 H8 H5 28.8(7) 1_556 1_556 1_556 no H4 H8 H5 28.0(6) 1_556 1_556 1_556 no H4 H8 H6 82.6(8) 1_556 1_556 1_556 no H4 H8 H6 92.6(9) 1_556 1_556 1_556 no H4 H8 H7 139.9(11) 1_556 1_556 1_556 no H4 H8 H7 105.6(8) 1_556 1_556 1_556 no H4 H8 H7 114.5(9) 1_556 1_556 1_556 no H4 H8 H7 136.6(11) 1_556 1_556 1_556 no H4 H8 H8 76.3(5) 1_556 1_556 1_556 no H4 H8 H9 60.1(15) 1_556 1_556 1_556 no H5 H8 H5 24.6(10) 1_556 1_556 1_556 no H5 H8 H6 67.1(7) 1_556 1_556 1_556 no H5 H8 H6 64.4(8) 1_556 1_556 1_556 no H5 H8 H7 149.2(13) 1_556 1_556 1_556 no H5 H8 H7 124.5(11) 1_556 1_556 1_556 no H5 H8 H7 103.8(9) 1_556 1_556 1_556 no H5 H8 H7 108.9(10) 1_556 1_556 1_556 no H5 H8 H8 88.0(8) 1_556 1_556 1_556 no H5 H8 H9 88.8(16) 1_556 1_556 1_556 no H5 H8 H6 54.6(6) 4_556 4_556 4_556 no H5 H8 H6 71.9(7) 4_556 4_556 4_556 no H5 H8 H7 168.0(11) 4_556 4_556 4_556 no H5 H8 H7 100.2(8) 4_556 4_556 4_556 no H5 H8 H7 88.0(8) 4_556 4_556 4_556 no H5 H8 H7 112.0(10) 4_556 4_556 4_556 no H5 H8 H8 63.4(6) 4_556 4_556 4_556 no H5 H8 H9 77.1(15) 4_556 4_556 4_556 no H6 H8 H6 44.2(8) 2_657 2_657 2_657 no H6 H8 H7 137.5(9) 2_657 2_657 2_657 no H6 H8 H7 83.1(7) 2_657 2_657 2_657 no H6 H8 H7 36.7(5) 2_657 2_657 2_657 no H6 H8 H7 62.7(7) 2_657 2_657 2_657 no H6 H8 H8 56.1(5) 2_657 2_657 2_657 no H6 H8 H9 111.9(14) 2_657 2_657 2_657 no H6 H8 H7 116.8(10) 3_657 3_657 3_657 no H6 H8 H7 121.6(9) 3_657 3_657 3_657 no H6 H8 H7 63.4(7) 3_657 3_657 3_657 no H6 H8 H7 44.4(6) 3_657 3_657 3_657 no H6 H8 H8 100.4(6) 3_657 3_657 3_657 no H6 H8 H9 148.6(17) 3_657 3_657 3_657 no H7 H8 H7 82.6(11) . . . no H7 H8 H7 103.3(8) . . . no H7 H8 H7 79.2(9) . . . no H7 H8 H8 120.2(8) . . . no H7 H8 H9 94.6(16) . . . no H7 H8 H7 58.5(7) 4 4 4 no H7 H8 H7 95.8(8) 4 4 4 no H7 H8 H8 37.6(5) 4 4 4 no H7 H8 H9 59.5(14) 4 4 4 no H7 H8 H7 48.5(9) 2_657 2_657 2_657 no H7 H8 H8 53.3(6) 2_657 2_657 2_657 no H7 H8 H9 111.6(15) 2_657 2_657 2_657 no H7 H8 H8 101.8(7) 3_657 3_657 3_657 no H7 H8 H9 155.3(19) 3_657 3_657 3_657 no H8 H8 H9 60.5(12) 4 4 4 no CL1 H9 C5 76.7(5) 2_747 2_747 2_747 no CL1 H9 C5 76.7(5) 2_747 2_747 2_747 no CL1 H9 C6 68.6(6) 2_747 2_747 2_747 no CL1 H9 C8 61.9(5) 2_747 2_747 2_747 no CL1 H9 C8 61.9(5) 2_747 2_747 2_747 no CL1 H9 C9 137.5(9) 2_747 2_747 2_747 no CL1 H9 C9 137.5(9) 2_747 2_747 2_747 no CL1 H9 C10 150.5(13) 2_747 2_747 2_747 no CL1 H9 C11 165.0(22) 2_747 2_747 2_747 no CL1 H9 H2 81.7(7) 2_747 2_747 2_747 no CL1 H9 H2 81.7(7) 2_747 2_747 2_747 no CL1 H9 H3 79.5(9) 2_747 2_747 2_747 no CL1 H9 H3 79.5(9) 2_747 2_747 2_747 no CL1 H9 H4 54.1(8) 2_747 2_747 2_747 no CL1 H9 H5 80.8(8) 2_747 2_747 2_747 no CL1 H9 H5 80.8(8) 2_747 2_747 2_747 no CL1 H9 H6 51.0(6) 2_747 2_747 2_747 no CL1 H9 H6 51.0(6) 2_747 2_747 2_747 no CL1 H9 H7 129.1(8) 2_747 2_747 2_747 no CL1 H9 H7 129.1(8) 2_747 2_747 2_747 no CL1 H9 H8 135.8(16) 2_747 2_747 2_747 no CL1 H9 H8 135.8(16) 2_747 2_747 2_747 no C5 H9 C5 147.7(10) 2_747 2_747 2_747 no C5 H9 C6 76.8(5) 2_747 2_747 2_747 no C5 H9 C8 123.6(8) 2_747 2_747 2_747 no C5 H9 C8 55.7(3) 2_747 2_747 2_747 no C5 H9 C9 82.6(3) 2_747 2_747 2_747 no C5 H9 C9 129.6(7) 2_747 2_747 2_747 no C5 H9 C10 106.1(5) 2_747 2_747 2_747 no C5 H9 C11 100.5(6) 2_747 2_747 2_747 no C5 H9 H2 13.2(4) 2_747 2_747 2_747 no C5 H9 H2 142.5(10) 2_747 2_747 2_747 no C5 H9 H3 153.9(13) 2_747 2_747 2_747 no C5 H9 H3 8.1(5) 2_747 2_747 2_747 no C5 H9 H4 74.9(5) 2_747 2_747 2_747 no C5 H9 H5 67.4(6) 2_747 2_747 2_747 no C5 H9 H5 90.6(7) 2_747 2_747 2_747 no C5 H9 H6 111.2(9) 2_747 2_747 2_747 no C5 H9 H6 63.4(5) 2_747 2_747 2_747 no C5 H9 H7 64.5(5) 2_747 2_747 2_747 no C5 H9 H7 147.7(10) 2_747 2_747 2_747 no C5 H9 H8 67.4(10) 2_747 2_747 2_747 no C5 H9 H8 124.1(15) 2_747 2_747 2_747 no C5 H9 C6 76.8(5) 2_757 2_757 2_757 no C5 H9 C8 55.7(3) 2_757 2_757 2_757 no C5 H9 C8 123.6(8) 2_757 2_757 2_757 no C5 H9 C9 129.6(7) 2_757 2_757 2_757 no C5 H9 C9 82.6(3) 2_757 2_757 2_757 no C5 H9 C10 106.1(5) 2_757 2_757 2_757 no C5 H9 C11 100.5(6) 2_757 2_757 2_757 no C5 H9 H2 142.5(10) 2_757 2_757 2_757 no C5 H9 H2 13.2(4) 2_757 2_757 2_757 no C5 H9 H3 8.1(5) 2_757 2_757 2_757 no C5 H9 H3 153.9(13) 2_757 2_757 2_757 no C5 H9 H4 74.9(5) 2_757 2_757 2_757 no C5 H9 H5 90.6(7) 2_757 2_757 2_757 no C5 H9 H5 67.4(6) 2_757 2_757 2_757 no C5 H9 H6 63.4(5) 2_757 2_757 2_757 no C5 H9 H6 111.2(9) 2_757 2_757 2_757 no C5 H9 H7 147.7(10) 2_757 2_757 2_757 no C5 H9 H7 64.5(5) 2_757 2_757 2_757 no C5 H9 H8 124.1(15) 2_757 2_757 2_757 no C5 H9 H8 67.4(10) 2_757 2_757 2_757 no C6 H9 C8 116.5(7) 1_556 1_556 1_556 no C6 H9 C8 116.5(7) 1_556 1_556 1_556 no C6 H9 C9 141.0(9) 1_556 1_556 1_556 no C6 H9 C9 141.0(9) 1_556 1_556 1_556 no C6 H9 C10 140.9(14) 1_556 1_556 1_556 no C6 H9 C11 96.4(18) 1_556 1_556 1_556 no C6 H9 H2 66.9(6) 1_556 1_556 1_556 no C6 H9 H2 66.9(6) 1_556 1_556 1_556 no C6 H9 H3 84.8(9) 1_556 1_556 1_556 no C6 H9 H3 84.8(9) 1_556 1_556 1_556 no C6 H9 H4 14.4(6) 1_556 1_556 1_556 no C6 H9 H5 16.9(4) 1_556 1_556 1_556 no C6 H9 H5 16.9(4) 1_556 1_556 1_556 no C6 H9 H6 112.2(9) 1_556 1_556 1_556 no C6 H9 H6 112.2(9) 1_556 1_556 1_556 no C6 H9 H7 127.2(8) 1_556 1_556 1_556 no C6 H9 H7 127.2(8) 1_556 1_556 1_556 no C6 H9 H8 78.6(14) 1_556 1_556 1_556 no C6 H9 H8 78.6(14) 1_556 1_556 1_556 no C8 H9 C8 71.0(6) 2_757 2_757 2_757 no C8 H9 C9 102.5(8) 2_757 2_757 2_757 no C8 H9 C9 75.7(5) 2_757 2_757 2_757 no C8 H9 C10 94.8(8) 2_757 2_757 2_757 no C8 H9 C11 128.8(14) 2_757 2_757 2_757 no C8 H9 H2 135.1(9) 2_757 2_757 2_757 no C8 H9 H2 68.9(5) 2_757 2_757 2_757 no C8 H9 H3 50.2(7) 2_757 2_757 2_757 no C8 H9 H3 120.2(12) 2_757 2_757 2_757 no C8 H9 H4 105.2(9) 2_757 2_757 2_757 no C8 H9 H5 133.3(9) 2_757 2_757 2_757 no C8 H9 H5 116.5(7) 2_757 2_757 2_757 no C8 H9 H6 13.0(4) 2_757 2_757 2_757 no C8 H9 H6 61.0(7) 2_757 2_757 2_757 no C8 H9 H7 114.6(9) 2_757 2_757 2_757 no C8 H9 H7 69.2(6) 2_757 2_757 2_757 no C8 H9 H8 162.0(19) 2_757 2_757 2_757 no C8 H9 H8 112.3(11) 2_757 2_757 2_757 no C8 H9 C9 75.7(5) 3_757 3_757 3_757 no C8 H9 C9 102.5(8) 3_757 3_757 3_757 no C8 H9 C10 94.8(8) 3_757 3_757 3_757 no C8 H9 C11 128.8(14) 3_757 3_757 3_757 no C8 H9 H2 68.9(5) 3_757 3_757 3_757 no C8 H9 H2 135.1(9) 3_757 3_757 3_757 no C8 H9 H3 120.2(12) 3_757 3_757 3_757 no C8 H9 H3 50.2(7) 3_757 3_757 3_757 no C8 H9 H4 105.2(9) 3_757 3_757 3_757 no C8 H9 H5 116.5(7) 3_757 3_757 3_757 no C8 H9 H5 133.3(9) 3_757 3_757 3_757 no C8 H9 H6 61.0(7) 3_757 3_757 3_757 no C8 H9 H6 13.0(4) 3_757 3_757 3_757 no C8 H9 H7 69.2(6) 3_757 3_757 3_757 no C8 H9 H7 114.6(9) 3_757 3_757 3_757 no C8 H9 H8 112.3(11) 3_757 3_757 3_757 no C8 H9 H8 162.0(19) 3_757 3_757 3_757 no C9 H9 C9 47.0(5) . . . no C9 H9 C10 24.5(3) . . . no C9 H9 C11 55.3(13) . . . no C9 H9 H2 86.5(5) . . . no C9 H9 H2 132.3(8) . . . no C9 H9 H3 122.7(10) . . . no C9 H9 H3 75.9(6) . . . no C9 H9 H4 150.9(8) . . . no C9 H9 H5 124.2(9) . . . no C9 H9 H5 136.6(11) . . . no C9 H9 H6 106.0(9) . . . no C9 H9 H6 86.5(7) . . . no C9 H9 H7 18.4(4) . . . no C9 H9 H7 65.2(8) . . . no C9 H9 H8 62.9(14) . . . no C9 H9 H8 86.4(17) . . . no C9 H9 C10 24.5(3) 4 4 4 no C9 H9 C11 55.3(13) 4 4 4 no C9 H9 H2 132.3(8) 4 4 4 no C9 H9 H2 86.5(5) 4 4 4 no C9 H9 H3 75.9(6) 4 4 4 no C9 H9 H3 122.7(10) 4 4 4 no C9 H9 H4 150.9(8) 4 4 4 no C9 H9 H5 136.6(11) 4 4 4 no C9 H9 H5 124.2(9) 4 4 4 no C9 H9 H6 86.5(7) 4 4 4 no C9 H9 H6 106.0(9) 4 4 4 no C9 H9 H7 65.2(8) 4 4 4 no C9 H9 H7 18.4(4) 4 4 4 no C9 H9 H8 86.4(17) 4 4 4 no C9 H9 H8 62.9(14) 4 4 4 no C10 H9 C11 44.5(13) . . . no C10 H9 H2 107.8(7) . . . no C10 H9 H2 107.8(7) . . . no C10 H9 H3 99.9(8) . . . no C10 H9 H3 99.9(8) . . . no C10 H9 H4 155.3(16) . . . no C10 H9 H5 127.9(13) . . . no C10 H9 H5 127.9(13) . . . no C10 H9 H6 103.1(10) . . . no C10 H9 H6 103.1(10) . . . no C10 H9 H7 41.7(6) . . . no C10 H9 H7 41.7(6) . . . no C10 H9 H8 67.6(16) . . . no C10 H9 H8 67.6(16) . . . no C11 H9 H2 92.6(9) . . . no C11 H9 H2 92.6(9) . . . no C11 H9 H3 99.7(9) . . . no C11 H9 H3 99.7(9) . . . no C11 H9 H4 110.8(21) . . . no C11 H9 H5 84.4(18) . . . no C11 H9 H5 84.4(18) . . . no C11 H9 H6 141.0(16) . . . no C11 H9 H6 141.0(16) . . . no C11 H9 H7 59.7(11) . . . no C11 H9 H7 59.7(11) . . . no C11 H9 H8 34.8(13) . . . no C11 H9 H8 34.8(13) . . . no H2 H9 H2 133.7(12) 2_747 2_747 2_747 no H2 H9 H3 150.2(13) 2_747 2_747 2_747 no H2 H9 H3 20.0(7) 2_747 2_747 2_747 no H2 H9 H4 67.6(6) 2_747 2_747 2_747 no H2 H9 H5 55.6(7) 2_747 2_747 2_747 no H2 H9 H5 79.2(8) 2_747 2_747 2_747 no H2 H9 H6 122.3(10) 2_747 2_747 2_747 no H2 H9 H6 76.1(7) 2_747 2_747 2_747 no H2 H9 H7 68.1(6) 2_747 2_747 2_747 no H2 H9 H7 148.0(11) 2_747 2_747 2_747 no H2 H9 H8 58.1(11) 2_747 2_747 2_747 no H2 H9 H8 112.0(16) 2_747 2_747 2_747 no H2 H9 H3 20.0(7) 2_757 2_757 2_757 no H2 H9 H3 150.2(13) 2_757 2_757 2_757 no H2 H9 H4 67.6(6) 2_757 2_757 2_757 no H2 H9 H5 79.2(8) 2_757 2_757 2_757 no H2 H9 H5 55.6(7) 2_757 2_757 2_757 no H2 H9 H6 76.1(7) 2_757 2_757 2_757 no H2 H9 H6 122.3(10) 2_757 2_757 2_757 no H2 H9 H7 148.0(11) 2_757 2_757 2_757 no H2 H9 H7 68.1(6) 2_757 2_757 2_757 no H2 H9 H8 112.0(16) 2_757 2_757 2_757 no H2 H9 H8 58.1(11) 2_757 2_757 2_757 no H3 H9 H3 158.8(17) 2_757 2_757 2_757 no H3 H9 H4 82.7(8) 2_757 2_757 2_757 no H3 H9 H5 98.5(11) 2_757 2_757 2_757 no H3 H9 H5 75.2(9) 2_757 2_757 2_757 no H3 H9 H6 59.2(8) 2_757 2_757 2_757 no H3 H9 H6 108.4(12) 2_757 2_757 2_757 no H3 H9 H7 141.1(12) 2_757 2_757 2_757 no H3 H9 H7 58.2(7) 2_757 2_757 2_757 no H3 H9 H8 127.0(18) 2_757 2_757 2_757 no H3 H9 H8 68.6(11) 2_757 2_757 2_757 no H3 H9 H4 82.7(8) 3_757 3_757 3_757 no H3 H9 H5 75.2(9) 3_757 3_757 3_757 no H3 H9 H5 98.5(11) 3_757 3_757 3_757 no H3 H9 H6 108.4(12) 3_757 3_757 3_757 no H3 H9 H6 59.2(8) 3_757 3_757 3_757 no H3 H9 H7 58.2(7) 3_757 3_757 3_757 no H3 H9 H7 141.1(12) 3_757 3_757 3_757 no H3 H9 H8 68.6(11) 3_757 3_757 3_757 no H3 H9 H8 127.0(18) 3_757 3_757 3_757 no H4 H9 H5 28.9(7) 1_556 1_556 1_556 no H4 H9 H5 28.9(7) 1_556 1_556 1_556 no H4 H9 H6 99.2(11) 1_556 1_556 1_556 no H4 H9 H6 99.2(11) 1_556 1_556 1_556 no H4 H9 H7 134.0(8) 1_556 1_556 1_556 no H4 H9 H7 134.0(8) 1_556 1_556 1_556 no H4 H9 H8 91.1(16) 1_556 1_556 1_556 no H4 H9 H8 91.1(16) 1_556 1_556 1_556 no H5 H9 H5 23.8(9) 1_556 1_556 1_556 no H5 H9 H6 128.1(11) 1_556 1_556 1_556 no H5 H9 H6 116.3(9) 1_556 1_556 1_556 no H5 H9 H7 110.6(9) 1_556 1_556 1_556 no H5 H9 H7 128.7(11) 1_556 1_556 1_556 no H5 H9 H8 62.4(14) 1_556 1_556 1_556 no H5 H9 H8 74.8(15) 1_556 1_556 1_556 no H5 H9 H6 116.3(9) 4_556 4_556 4_556 no H5 H9 H6 128.1(11) 4_556 4_556 4_556 no H5 H9 H7 128.7(11) 4_556 4_556 4_556 no H5 H9 H7 110.6(9) 4_556 4_556 4_556 no H5 H9 H8 74.8(15) 4_556 4_556 4_556 no H5 H9 H8 62.4(14) 4_556 4_556 4_556 no H6 H9 H6 49.8(9) 2_757 2_757 2_757 no H6 H9 H7 114.5(10) 2_757 2_757 2_757 no H6 H9 H7 81.7(7) 2_757 2_757 2_757 no H6 H9 H8 168.8(19) 2_757 2_757 2_757 no H6 H9 H8 124.5(11) 2_757 2_757 2_757 no H6 H9 H7 81.7(7) 3_757 3_757 3_757 no H6 H9 H7 114.5(10) 3_757 3_757 3_757 no H6 H9 H8 124.5(11) 3_757 3_757 3_757 no H6 H9 H8 168.8(19) 3_757 3_757 3_757 no H7 H9 H7 83.2(12) . . . no H7 H9 H8 54.5(12) . . . no H7 H9 H8 94.1(18) . . . no H7 H9 H8 94.1(18) 4 4 4 no H7 H9 H8 54.5(12) 4 4 4 no H8 H9 H8 58.9(24) . . . no CL1 H10 O1 112.7(12) 2_646 2_646 2_646 no CL1 H10 O1 83.6(5) 2_646 2_646 2_646 no CL1 H10 O1 83.6(5) 2_646 2_646 2_646 no CL1 H10 N1 159.6(12) 2_646 2_646 2_646 no CL1 H10 N2 176.2(24) 2_646 2_646 2_646 no CL1 H10 N2 83.5(5) 2_646 2_646 2_646 no CL1 H10 N2 83.5(5) 2_646 2_646 2_646 no CL1 H10 C1 142.8(15) 2_646 2_646 2_646 no CL1 H10 C1 73.5(4) 2_646 2_646 2_646 no CL1 H10 C1 73.5(4) 2_646 2_646 2_646 no CL1 H10 C2 140.2(14) 2_646 2_646 2_646 no CL1 H10 C2 75.0(5) 2_646 2_646 2_646 no CL1 H10 C2 75.0(5) 2_646 2_646 2_646 no CL1 H10 C3 155.9(11) 2_646 2_646 2_646 no CL1 H10 C4 178.3(11) 2_646 2_646 2_646 no CL1 H10 C6 104.3(10) 2_646 2_646 2_646 no CL1 H10 H1 148.4(11) 2_646 2_646 2_646 no CL1 H10 H1 64.5(8) 2_646 2_646 2_646 no CL1 H10 H4 109.5(10) 2_646 2_646 2_646 no CL1 H10 H5 88.8(10) 2_646 2_646 2_646 no CL1 H10 H5 88.8(10) 2_646 2_646 2_646 no CL1 H10 H5 97.9(8) 2_646 2_646 2_646 no CL1 H10 H5 97.9(8) 2_646 2_646 2_646 no CL1 H10 H10 98.1(10) 2_646 2_646 2_646 no CL1 H10 H10 98.1(10) 2_646 2_646 2_646 no O1 H10 O1 118.8(3) . . . no O1 H10 O1 118.8(3) . . . no O1 H10 N1 47.0(5) . . . no O1 H10 N2 71.1(16) . . . no O1 H10 N2 86.0(4) . . . no O1 H10 N2 86.0(4) . . . no O1 H10 C1 30.1(4) . . . no O1 H10 C1 108.0(4) . . . no O1 H10 C1 108.0(4) . . . no O1 H10 C2 107.2(12) . . . no O1 H10 C2 73.6(4) . . . no O1 H10 C2 73.6(4) . . . no O1 H10 C3 91.4(9) . . . no O1 H10 C4 69.0(7) . . . no O1 H10 C6 143.0(13) . . . no O1 H10 H1 99.0(9) . . . no O1 H10 H1 48.1(6) . . . no O1 H10 H4 137.8(12) . . . no O1 H10 H5 153.7(12) . . . no O1 H10 H5 153.7(12) . . . no O1 H10 H5 45.2(5) . . . no O1 H10 H5 45.2(5) . . . no O1 H10 H10 81.2(9) . . . no O1 H10 H10 81.2(9) . . . no O1 H10 O1 121.6(7) 2_646 2_646 2_646 no O1 H10 N1 105.7(5) 2_646 2_646 2_646 no O1 H10 N2 94.6(10) 2_646 2_646 2_646 no O1 H10 N2 35.43(10) 2_646 2_646 2_646 no O1 H10 N2 155.0(8) 2_646 2_646 2_646 no O1 H10 C1 112.1(5) 2_646 2_646 2_646 no O1 H10 C1 18.16(8) 2_646 2_646 2_646 no O1 H10 C1 132.9(7) 2_646 2_646 2_646 no O1 H10 C2 77.4(5) 2_646 2_646 2_646 no O1 H10 C2 53.62(9) 2_646 2_646 2_646 no O1 H10 C2 158.3(8) 2_646 2_646 2_646 no O1 H10 C3 84.8(5) 2_646 2_646 2_646 no O1 H10 C4 95.7(5) 2_646 2_646 2_646 no O1 H10 C6 64.4(4) 2_646 2_646 2_646 no O1 H10 H1 81.2(5) 2_646 2_646 2_646 no O1 H10 H1 112.4(5) 2_646 2_646 2_646 no O1 H10 H4 65.8(4) 2_646 2_646 2_646 no O1 H10 H5 46.0(6) 2_646 2_646 2_646 no O1 H10 H5 77.0(8) 2_646 2_646 2_646 no O1 H10 H5 163.2(7) 2_646 2_646 2_646 no O1 H10 H5 75.2(4) 2_646 2_646 2_646 no O1 H10 H10 37.5(5) 2_646 2_646 2_646 no O1 H10 H10 157.7(12) 2_646 2_646 2_646 no O1 H10 N1 105.7(5) 2_656 2_656 2_656 no O1 H10 N2 94.6(10) 2_656 2_656 2_656 no O1 H10 N2 155.0(8) 2_656 2_656 2_656 no O1 H10 N2 35.43(10) 2_656 2_656 2_656 no O1 H10 C1 112.1(5) 2_656 2_656 2_656 no O1 H10 C1 132.9(7) 2_656 2_656 2_656 no O1 H10 C1 18.16(8) 2_656 2_656 2_656 no O1 H10 C2 77.4(5) 2_656 2_656 2_656 no O1 H10 C2 158.3(8) 2_656 2_656 2_656 no O1 H10 C2 53.62(9) 2_656 2_656 2_656 no O1 H10 C3 84.8(5) 2_656 2_656 2_656 no O1 H10 C4 95.7(5) 2_656 2_656 2_656 no O1 H10 C6 64.4(4) 2_656 2_656 2_656 no O1 H10 H1 81.2(5) 2_656 2_656 2_656 no O1 H10 H1 112.4(5) 2_656 2_656 2_656 no O1 H10 H4 65.8(4) 2_656 2_656 2_656 no O1 H10 H5 77.0(8) 2_656 2_656 2_656 no O1 H10 H5 46.0(6) 2_656 2_656 2_656 no O1 H10 H5 75.2(4) 2_656 2_656 2_656 no O1 H10 H5 163.2(7) 2_656 2_656 2_656 no O1 H10 H10 157.7(12) 2_656 2_656 2_656 no O1 H10 H10 37.5(5) 2_656 2_656 2_656 no N1 H10 N2 24.2(13) . . . no N1 H10 N2 93.6(5) . . . no N1 H10 N2 93.6(5) . . . no N1 H10 C1 16.9(4) . . . no N1 H10 C1 110.0(4) . . . no N1 H10 C1 110.0(4) . . . no N1 H10 C2 60.2(7) . . . no N1 H10 C2 95.7(5) . . . no N1 H10 C2 95.7(5) . . . no N1 H10 C3 44.5(4) . . . no N1 H10 C4 22.0(2) . . . no N1 H10 C6 96.1(9) . . . no N1 H10 H1 52.0(6) . . . no N1 H10 H1 95.1(8) . . . no N1 H10 H4 90.9(9) . . . no N1 H10 H5 110.8(11) . . . no N1 H10 H5 110.8(11) . . . no N1 H10 H5 68.0(6) . . . no N1 H10 H5 68.0(6) . . . no N1 H10 H10 80.2(9) . . . no N1 H10 H10 80.2(9) . . . no N2 H10 N2 97.0(5) . . . no N2 H10 N2 97.0(5) . . . no N2 H10 C1 41.0(12) . . . no N2 H10 C1 105.6(7) . . . no N2 H10 C1 105.6(7) . . . no N2 H10 C2 36.1(13) . . . no N2 H10 C2 106.6(8) . . . no N2 H10 C2 106.6(8) . . . no N2 H10 C3 20.3(13) . . . no N2 H10 C4 2.1(13) . . . no N2 H10 C6 71.9(17) . . . no N2 H10 H1 27.9(15) . . . no N2 H10 H1 119.3(20) . . . no N2 H10 H4 66.7(17) . . . no N2 H10 H5 87.6(19) . . . no N2 H10 H5 87.6(19) . . . no N2 H10 H5 84.8(13) . . . no N2 H10 H5 84.8(13) . . . no N2 H10 H10 82.3(10) . . . no N2 H10 H10 82.3(10) . . . no N2 H10 N2 160.7(10) 2_646 2_646 2_646 no N2 H10 C1 90.9(5) 2_646 2_646 2_646 no N2 H10 C1 22.14(7) 2_646 2_646 2_646 no N2 H10 C1 156.2(9) 2_646 2_646 2_646 no N2 H10 C2 99.6(5) 2_646 2_646 2_646 no N2 H10 C2 19.91(11) 2_646 2_646 2_646 no N2 H10 C2 141.2(8) 2_646 2_646 2_646 no N2 H10 C3 98.9(5) 2_646 2_646 2_646 no N2 H10 C4 96.7(5) 2_646 2_646 2_646 no N2 H10 C6 98.5(4) 2_646 2_646 2_646 no N2 H10 H1 99.3(5) 2_646 2_646 2_646 no N2 H10 H1 80.8(5) 2_646 2_646 2_646 no N2 H10 H4 98.9(5) 2_646 2_646 2_646 no N2 H10 H5 81.4(7) 2_646 2_646 2_646 no N2 H10 H5 112.4(8) 2_646 2_646 2_646 no N2 H10 H5 127.9(8) 2_646 2_646 2_646 no N2 H10 H5 40.8(4) 2_646 2_646 2_646 no N2 H10 H10 14.7(5) 2_646 2_646 2_646 no N2 H10 H10 166.7(13) 2_646 2_646 2_646 no N2 H10 C1 90.9(5) 2_656 2_656 2_656 no N2 H10 C1 156.2(9) 2_656 2_656 2_656 no N2 H10 C1 22.14(7) 2_656 2_656 2_656 no N2 H10 C2 99.6(5) 2_656 2_656 2_656 no N2 H10 C2 141.2(8) 2_656 2_656 2_656 no N2 H10 C2 19.91(11) 2_656 2_656 2_656 no N2 H10 C3 98.9(5) 2_656 2_656 2_656 no N2 H10 C4 96.7(5) 2_656 2_656 2_656 no N2 H10 C6 98.5(4) 2_656 2_656 2_656 no N2 H10 H1 99.3(5) 2_656 2_656 2_656 no N2 H10 H1 80.8(5) 2_656 2_656 2_656 no N2 H10 H4 98.9(5) 2_656 2_656 2_656 no N2 H10 H5 112.4(8) 2_656 2_656 2_656 no N2 H10 H5 81.4(7) 2_656 2_656 2_656 no N2 H10 H5 40.8(4) 2_656 2_656 2_656 no N2 H10 H5 127.9(8) 2_656 2_656 2_656 no N2 H10 H10 166.7(13) 2_656 2_656 2_656 no N2 H10 H10 14.7(5) 2_656 2_656 2_656 no C1 H10 C1 110.9(4) . . . no C1 H10 C1 110.9(4) . . . no C1 H10 C2 77.1(11) . . . no C1 H10 C2 87.4(5) . . . no C1 H10 C2 87.4(5) . . . no C1 H10 C3 61.3(8) . . . no C1 H10 C4 38.9(6) . . . no C1 H10 C6 112.9(13) . . . no C1 H10 H1 68.9(9) . . . no C1 H10 H1 78.2(9) . . . no C1 H10 H4 107.7(12) . . . no C1 H10 H5 126.8(14) . . . no C1 H10 H5 126.8(14) . . . no C1 H10 H5 57.5(6) . . . no C1 H10 H5 57.5(6) . . . no C1 H10 H10 79.8(9) . . . no C1 H10 H10 79.8(9) . . . no C1 H10 C1 138.1(8) 2_646 2_646 2_646 no C1 H10 C2 94.5(5) 2_646 2_646 2_646 no C1 H10 C2 37.06(11) 2_646 2_646 2_646 no C1 H10 C2 146.2(9) 2_646 2_646 2_646 no C1 H10 C3 99.8(5) 2_646 2_646 2_646 no C1 H10 C4 106.1(5) 2_646 2_646 2_646 no C1 H10 C6 81.9(4) 2_646 2_646 2_646 no C1 H10 H1 97.3(5) 2_646 2_646 2_646 no C1 H10 H1 94.2(5) 2_646 2_646 2_646 no C1 H10 H4 83.7(5) 2_646 2_646 2_646 no C1 H10 H5 62.2(7) 2_646 2_646 2_646 no C1 H10 H5 92.1(8) 2_646 2_646 2_646 no C1 H10 H5 147.3(8) 2_646 2_646 2_646 no C1 H10 H5 62.8(4) 2_646 2_646 2_646 no C1 H10 H10 31.1(5) 2_646 2_646 2_646 no C1 H10 H10 169.2(13) 2_646 2_646 2_646 no C1 H10 C2 94.5(5) 2_656 2_656 2_656 no C1 H10 C2 146.2(9) 2_656 2_656 2_656 no C1 H10 C2 37.06(11) 2_656 2_656 2_656 no C1 H10 C3 99.8(5) 2_656 2_656 2_656 no C1 H10 C4 106.1(5) 2_656 2_656 2_656 no C1 H10 C6 81.9(4) 2_656 2_656 2_656 no C1 H10 H1 97.3(5) 2_656 2_656 2_656 no C1 H10 H1 94.2(5) 2_656 2_656 2_656 no C1 H10 H4 83.7(5) 2_656 2_656 2_656 no C1 H10 H5 92.1(8) 2_656 2_656 2_656 no C1 H10 H5 62.2(7) 2_656 2_656 2_656 no C1 H10 H5 62.8(4) 2_656 2_656 2_656 no C1 H10 H5 147.3(8) 2_656 2_656 2_656 no C1 H10 H10 169.2(13) 2_656 2_656 2_656 no C1 H10 H10 31.1(5) 2_656 2_656 2_656 no C2 H10 C2 117.7(4) . . . no C2 H10 C2 117.7(4) . . . no C2 H10 C3 15.8(4) . . . no C2 H10 C4 38.2(6) . . . no C2 H10 C6 35.8(5) . . . no C2 H10 H1 8.2(5) . . . no C2 H10 H1 155.3(12) . . . no C2 H10 H4 30.6(6) . . . no C2 H10 H5 53.1(8) . . . no C2 H10 H5 53.1(8) . . . no C2 H10 H5 110.3(8) . . . no C2 H10 H5 110.3(8) . . . no C2 H10 H10 87.7(10) . . . no C2 H10 H10 87.7(10) . . . no C2 H10 C2 121.4(7) 2_646 2_646 2_646 no C2 H10 C3 114.0(4) 2_646 2_646 2_646 no C2 H10 C4 105.8(5) 2_646 2_646 2_646 no C2 H10 C6 117.8(4) 2_646 2_646 2_646 no C2 H10 H1 116.0(4) 2_646 2_646 2_646 no C2 H10 H1 60.9(4) 2_646 2_646 2_646 no C2 H10 H4 118.6(4) 2_646 2_646 2_646 no C2 H10 H5 99.2(7) 2_646 2_646 2_646 no C2 H10 H5 129.0(8) 2_646 2_646 2_646 no C2 H10 H5 110.4(7) 2_646 2_646 2_646 no C2 H10 H5 30.3(4) 2_646 2_646 2_646 no C2 H10 H10 30.0(6) 2_646 2_646 2_646 no C2 H10 H10 148.3(13) 2_646 2_646 2_646 no C2 H10 C3 114.0(4) 2_656 2_656 2_656 no C2 H10 C4 105.8(5) 2_656 2_656 2_656 no C2 H10 C6 117.8(4) 2_656 2_656 2_656 no C2 H10 H1 116.0(4) 2_656 2_656 2_656 no C2 H10 H1 60.9(4) 2_656 2_656 2_656 no C2 H10 H4 118.6(4) 2_656 2_656 2_656 no C2 H10 H5 129.0(8) 2_656 2_656 2_656 no C2 H10 H5 99.2(7) 2_656 2_656 2_656 no C2 H10 H5 30.3(4) 2_656 2_656 2_656 no C2 H10 H5 110.4(7) 2_656 2_656 2_656 no C2 H10 H10 148.3(13) 2_656 2_656 2_656 no C2 H10 H10 30.0(6) 2_656 2_656 2_656 no C3 H10 C4 22.4(2) . . . no C3 H10 C6 51.6(5) . . . no C3 H10 H1 7.6(3) . . . no C3 H10 H1 139.6(9) . . . no C3 H10 H4 46.4(6) . . . no C3 H10 H5 68.1(9) . . . no C3 H10 H5 68.1(9) . . . no C3 H10 H5 99.3(7) . . . no C3 H10 H5 99.3(7) . . . no C3 H10 H10 85.1(10) . . . no C3 H10 H10 85.1(10) . . . no C4 H10 C6 74.0(7) . . . no C4 H10 H1 30.0(4) . . . no C4 H10 H1 117.1(8) . . . no C4 H10 H4 68.8(7) . . . no C4 H10 H5 89.6(10) . . . no C4 H10 H5 89.6(10) . . . no C4 H10 H5 83.3(6) . . . no C4 H10 H5 83.3(6) . . . no C4 H10 H10 82.1(10) . . . no C4 H10 H10 82.1(10) . . . no C6 H10 H1 44.0(6) . . . no C6 H10 H1 168.8(11) . . . no C6 H10 H4 5.2(5) . . . no C6 H10 H5 21.9(6) . . . no C6 H10 H5 21.9(6) . . . no C6 H10 H5 130.5(6) . . . no C6 H10 H5 130.5(6) . . . no C6 H10 H10 93.9(9) . . . no C6 H10 H10 93.9(9) . . . no H1 H10 H1 147.1(10) . . . no H1 H10 H4 38.8(6) . . . no H1 H10 H5 60.8(8) . . . no H1 H10 H5 60.8(8) . . . no H1 H10 H5 104.7(7) . . . no H1 H10 H5 104.7(7) . . . no H1 H10 H10 86.3(10) . . . no H1 H10 H10 86.3(10) . . . no H1 H10 H4 174.0(11) 1_455 1_455 1_455 no H1 H10 H5 149.3(11) 1_455 1_455 1_455 no H1 H10 H5 149.3(11) 1_455 1_455 1_455 no H1 H10 H5 54.7(5) 1_455 1_455 1_455 no H1 H10 H5 54.7(5) 1_455 1_455 1_455 no H1 H10 H10 88.0(9) 1_455 1_455 1_455 no H1 H10 H10 88.0(9) 1_455 1_455 1_455 no H4 H10 H5 25.8(8) . . . no H4 H10 H5 25.8(8) . . . no H4 H10 H5 128.3(7) . . . no H4 H10 H5 128.3(7) . . . no H4 H10 H10 93.0(9) . . . no H4 H10 H10 93.0(9) . . . no H5 H10 H5 31.2(13) . . . no H5 H10 H5 150.4(10) . . . no H5 H10 H5 119.7(5) . . . no H5 H10 H10 80.8(9) . . . no H5 H10 H10 111.7(12) . . . no H5 H10 H5 119.7(5) 4 4 4 no H5 H10 H5 150.4(10) 4 4 4 no H5 H10 H10 111.7(12) 4 4 4 no H5 H10 H10 80.8(9) 4 4 4 no H5 H10 H5 88.1(9) 2_656 2_656 2_656 no H5 H10 H10 126.1(12) 2_656 2_656 2_656 no H5 H10 H10 38.9(7) 2_656 2_656 2_656 no H5 H10 H10 38.9(7) 3_656 3_656 3_656 no H5 H10 H10 126.1(12) 3_656 3_656 3_656 no H10 H10 H10 159.6(17) 2_646 2_646 2_646 no #------------------------------------------------------------------------------ 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 ? ? ? ? ? ? #------------------------------------------------------------------------------ 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? # -- ENTER TORSION ANGLES HERE, ONE PER LINE -- # e.g. C1 C2 C3 C4 52.8(1) . . . . yes #------------------------------------------------------------------------------ loop_ _geom_bond_atom_site_label_D _geom_bond_atom_site_label_H _geom_contact_atom_site_label_A _geom_bond_distance_DH _geom_contact_distance_HA _geom_contact_distance_DA _geom_angle_DHA _geom_contact_site_symmetry_A #============================================================================== # Additional structures and associated data_? identifiers # should be added at this point if there is more than one # structure analysis in the CIF. #============================================================================== # End of CIF #============================================================================== data__1Cl.HCl__ _database_code_CSD 171691 _audit_creation_date '2000-03-24' _audit_creation_method 'by teXsan for Windows v1.06' _audit_update_record ; ? ; _journal_coden_Cambridge 440 _publ_requested_journal 'New Journal of Chemistry' loop_ _publ_author_name 'Bagieu Beucher, M.' 'George, S.' 'Masse, R.' 'Muthuraman, M.' 'Nangia, A.' 'Nicoud, Jean-Francois' _publ_contact_author_name 'Dr A Nangia' _publ_contact_author_address ; School of Chemistry University of Hyderabad P O Central University Hyderabad 500046 INDIA ; _publ_contact_author_email 'ANSC@UOHYD.ERNET.IN' _publ_section_title ; Crystal Engineering of Neutral N-Aryl Pyrimidinones and their HCl, HNO3 Adducts With C-H...O Supramolecular Synthon. Implications Towards Non-Linear Optics ; #============================================================================== # TEXT _publ_section_abstract ; ? ; _publ_section_exptl_refinement ; All the H atoms have been located by Fourier difference and refined. ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; Molecular Structure Corporation. (1997-1998). teXsan for Windows version 1.03. Single Crystal Structure Analysis Software. Version 1.04. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). J. Appl. Cryst., 26, 343. ; _publ_section_acknowledgements ; Financial support from the Indo-French Center for the Promotion of Advanced Research (IFCPAR contract no. 1708-1) is gratefully acknowledged. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #------------------------------------------------------------------------------ #============================================================================== _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan for Windows version 1.06 (MSC, 1997-1999)' _computing_structure_solution ; SIR92 (Altomare, et. al. 1994) ; _computing_structure_refinement 'teXsan for Windows(MSC,1997-1999)' _computing_publication_material 'teXsan for Windows(MSC,1997-1999)' #------------------------------------------------------------------------------ _cell_length_a 7.313(1) _cell_length_b 6.668(2) _cell_length_c 13.644(2) _cell_angle_alpha 90 _cell_angle_beta 105.23(1) _cell_angle_gamma 90 _cell_volume 641.9(2) _cell_formula_units_Z 2 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 10 _cell_measurement_theta_max 14 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/m' _symmetry_Int_Tables_number 11 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x,1/2+y, -z' ' -x, -y, -z' ' +x,1/2-y, +z' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description 'NONE' _exptl_crystal_colour 'colourless' _exptl_crystal_size_max 0.48 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.15 _exptl_crystal_density_diffrn 1.403 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 271.15 _chemical_formula_analytical ? _chemical_formula_sum 'C12 H12 Cl2 N2 O' _chemical_formula_moiety 'C12 H12 Cl2 N2 O' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 280 _exptl_absorpt_coefficient_mu 0.489 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; #============================================================================== # EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device 'CAD4' _diffrn_measurement_method \w-2\q _diffrn_standards_number 2 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% -1.03 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? ? ? ? _diffrn_reflns_number 8137 _reflns_number_total 4195 _reflns_number_gt 1726 _reflns_threshold_expression I>3.00\s(I) _diffrn_reflns_av_R_equivalents 0.02800 _diffrn_reflns_av_sigmaI/netI 0.055 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 3.06 _diffrn_reflns_theta_max 39.95 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 -0.00151 _diffrn_orient_matrix_UB_12 0.02184 _diffrn_orient_matrix_UB_13 -0.07272 _diffrn_orient_matrix_UB_21 0.14110 _diffrn_orient_matrix_UB_22 -0.01352 _diffrn_orient_matrix_UB_23 0.01811 _diffrn_orient_matrix_UB_31 0.01318 _diffrn_orient_matrix_UB_32 0.14775 _diffrn_orient_matrix_UB_33 0.01244 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 24 0.002 0.002 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; H 0 24 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; N 0 4 0.004 0.003 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; O 0 2 0.008 0.006 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; Cl 0 4 0.132 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #============================================================================== # ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom Cl(1) 0.09847(7) 0.2500 0.38177(3) 0.0938(1) 0.500 S Uani d ? Cl(2) 0.62592(4) -0.2500 0.85940(2) 0.04899(8) 0.500 S Uani d ? O(1) 0.30200(10) 0.2500 0.85862(6) 0.0691(3) 0.500 S Uani d ? N(1) 0.58356(12) 0.2500 0.97793(7) 0.0436(2) 0.500 S Uani d ? N(2) 0.57346(11) 0.2500 0.80609(6) 0.0396(2) 0.500 S Uani d ? C(1) 0.4735(1) 0.2500 0.87969(8) 0.0471(3) 0.500 S Uani d ? C(2) 0.7739(1) 0.2500 1.00455(8) 0.0403(3) 0.500 S Uani d ? C(3) 0.8670(1) 0.2500 0.92964(8) 0.0417(3) 0.500 S Uani d ? C(4) 0.7657(1) 0.2500 0.82921(8) 0.0410(3) 0.500 S Uani d ? C(5) 0.8686(2) 0.2500 1.11530(9) 0.0543(3) 0.500 S Uani d ? C(6) 0.8570(2) 0.2500 0.74445(10) 0.0606(4) 0.500 S Uani d ? C(7) 0.4578(1) 0.2500 0.70112(8) 0.0436(3) 0.500 S Uani d ? C(8) 0.4028(2) 0.0717(2) 0.65378(7) 0.0685(3) 1.000 . Uani d ? C(9) 0.2919(2) 0.0722(2) 0.55401(8) 0.0768(3) 1.000 . Uani d ? C(10) 0.2380(2) 0.2500 0.50635(9) 0.0590(4) 0.500 S Uani d ? H(1) 0.525(2) 0.2500 1.0286(11) 0.064(4) 0.500 S Uiso d ? H(2) 0.817(2) 0.154(2) 1.1512(8) 0.108(5) 1.000 . Uiso d ? H(3) 0.992(2) 0.2500 1.1277(10) 0.062(4) 0.500 S Uiso d ? H(4) 0.995(2) 0.2500 0.9479(8) 0.049(3) 0.500 S Uiso d ? H(5) 0.984(2) 0.2500 0.7646(11) 0.072(4) 0.500 S Uiso d ? H(6) 0.814(2) 0.139(2) 0.7012(8) 0.096(4) 1.000 . Uiso d ? H(7) 0.439(2) -0.051(2) 0.6914(8) 0.098(4) 1.000 . Uiso d ? H(8) 0.255(2) -0.053(2) 0.5211(8) 0.104(4) 1.000 . Uiso d ? 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 Cl(1) 0.1231(3) 0.0880(3) 0.0471(2) 0.0000 -0.0186(2) 0.0000 Cl(2) 0.0490(2) 0.0467(2) 0.0522(2) 0.0000 0.01495(11) 0.0000 O(1) 0.0307(4) 0.1176(9) 0.0548(5) 0.0000 0.0037(3) 0.0000 N(1) 0.0326(4) 0.0525(6) 0.0432(5) 0.0000 0.0054(4) 0.0000 N(2) 0.0334(4) 0.0397(5) 0.0413(4) 0.0000 0.0021(3) 0.0000 C(1) 0.0359(5) 0.0552(7) 0.0466(6) 0.0000 0.0045(4) 0.0000 C(2) 0.0342(4) 0.0361(5) 0.0460(5) 0.0000 0.0022(4) 0.0000 C(3) 0.0293(4) 0.0419(6) 0.0499(5) 0.0000 0.0030(4) 0.0000 C(4) 0.0359(5) 0.0362(6) 0.0495(6) 0.0000 0.0087(4) 0.0000 C(5) 0.0394(6) 0.0726(9) 0.0446(6) 0.0000 -0.0003(5) 0.0000 C(6) 0.0395(6) 0.0898(12) 0.0514(7) 0.0000 0.0099(5) 0.0000 C(7) 0.0386(5) 0.0442(6) 0.0423(5) 0.0000 0.0004(4) 0.0000 C(8) 0.0885(7) 0.0446(5) 0.0553(5) -0.0043(5) -0.0111(4) 0.0022(4) C(9) 0.1042(8) 0.0508(6) 0.0564(5) -0.0114(6) -0.0126(5) -0.0054(5) C(10) 0.0637(7) 0.0636(8) 0.0412(6) 0.0000 -0.0015(5) 0.0000 #============================================================================== # REFINEMENT DATA _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00006|Fo|^2^]' _refine_ls_hydrogen_treatment refall _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 1726 _refine_ls_number_parameters 125 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0384 _refine_ls_R_factor_gt 0.0380 _refine_ls_wR_factor_all 0.0410 _refine_ls_wR_factor_ref 0.0410 _refine_ls_goodness_of_fit_all 2.693 _refine_ls_goodness_of_fit_ref 2.690 _refine_ls_shift/su_max 0.0000 _refine_ls_shift/su_mean 0.0001 _refine_diff_density_min -0.66 _refine_diff_density_max 0.57 #============================================================================== # MOLECULAR GEOMETRY _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 CL1 C5 3.582(2) . . ? CL1 C6 3.805(1) . . ? CL1 C6 3.806(1) . . ? CL1 C8 3.976(2) . . ? CL1 C8 3.974(2) . . ? CL1 C9 2.680(2) . . ? CL1 C9 2.680(2) . . ? CL1 C9 3.853(2) . . ? CL1 C9 3.853(2) . . ? CL1 C10 1.738(2) . . ? CL1 H2 3.34(2) . . no CL1 H2 3.34(2) . . no CL1 H3 3.35(2) . . no CL1 H5 3.851(12) . . no CL1 H5 3.853(12) . . no CL1 H6 2.97(2) . . no CL1 H6 2.96(2) . . no CL1 H7 4.00(2) . . no CL1 H7 4.00(2) . . no CL1 H8 2.80(2) . . no CL1 H8 2.80(2) . . no CL1 H8 3.46(2) . . no CL1 H8 3.46(2) . . no CL2 O1 3.743(2) . . ? CL2 N1 3.7533(11) . . ? CL2 N1 3.7542(11) . . ? CL2 N1 3.010(2) . . ? CL2 N2 3.4130(9) . . ? CL2 N2 3.4124(9) . . ? CL2 C1 3.5494(10) . . ? CL2 C1 3.5492(10) . . ? CL2 C1 3.816(2) . . ? CL2 C2 3.8830(12) . . ? CL2 C2 3.8844(12) . . ? CL2 C2 3.853(2) . . ? CL2 C3 3.7752(12) . . ? CL2 C3 3.7763(12) . . ? CL2 C4 3.5429(10) . . ? CL2 C4 3.5429(10) . . ? CL2 C5 3.722(2) . . ? CL2 C5 3.621(2) . . ? CL2 C7 3.9878(13) . . ? CL2 C7 3.9862(13) . . ? CL2 C8 3.569(2) . . ? CL2 C8 3.567(2) . . ? CL2 H1 2.11(3) . . no CL2 H2 3.26(2) . . no CL2 H2 3.26(2) . . no CL2 H3 2.75(3) . . no CL2 H4 3.28(2) . . no CL2 H6 3.85(2) . . no CL2 H6 3.85(2) . . no CL2 H7 2.69(2) . . no CL2 H7 2.69(2) . . no O1 C1 1.211(2) . . ? N1 C1 1.370(2) . . ? N1 C2 1.343(2) . . ? N1 H1 0.91(3) . . no N2 C1 1.389(2) . . ? N2 C4 1.357(2) . . ? N2 C7 1.459(2) . . ? C1 H1 1.97(2) . . no C2 C3 1.369(3) . . ? C2 C5 1.488(2) . . ? C2 H1 1.93(3) . . no C2 H3 1.99(2) . . no C2 H4 1.97(2) . . no C3 C4 1.376(2) . . ? C3 H4 0.90(2) . . no C4 C6 1.480(3) . . ? C5 H2 0.94(2) . . no C5 H2 0.94(2) . . no C5 H3 0.87(2) . . no C6 H5 0.90(3) . . no C6 H6 0.95(2) . . no C6 H6 0.95(2) . . no C7 C8 1.362(2) . . ? C7 C8 1.362(2) . . ? C8 C9 1.390(2) . . ? C8 H7 0.96(2) . . no C9 C10 1.360(2) . . ? C9 H8 0.95(2) . . 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 C5 CL1 C6 67.30(4) 1_454 1_454 1_454 ? C5 CL1 C6 67.26(4) 1_454 1_454 1_454 ? C5 CL1 C8 161.07(3) 1_454 1_454 1_454 ? C5 CL1 C8 161.07(3) 1_454 1_454 1_454 ? C5 CL1 C9 152.73(4) 1_454 1_454 1_454 ? C5 CL1 C9 152.72(4) 1_454 1_454 1_454 ? C5 CL1 C9 93.01(4) 1_454 1_454 1_454 ? C5 CL1 C9 93.03(4) 1_454 1_454 1_454 ? C5 CL1 C10 172.39(10) 1_454 1_454 1_454 ? C5 CL1 H2 15.1(4) 1_454 1_454 1_454 no C5 CL1 H2 15.1(4) 1_454 1_454 1_454 no C5 CL1 H3 13.9(4) 1_454 1_454 1_454 no C5 CL1 H5 60.4(3) 1_454 1_454 1_454 no C5 CL1 H5 60.4(3) 1_454 1_454 1_454 no C5 CL1 H6 72.7(3) 1_454 1_454 1_454 no C5 CL1 H6 72.8(3) 1_454 1_454 1_454 no C5 CL1 H7 87.1(3) 1_454 1_454 1_454 no C5 CL1 H7 87.1(3) 1_454 1_454 1_454 no C5 CL1 H8 133.4(5) 1_454 1_454 1_454 no C5 CL1 H8 133.4(5) 1_454 1_454 1_454 no C5 CL1 H8 101.0(3) 1_454 1_454 1_454 no C5 CL1 H8 101.0(3) 1_454 1_454 1_454 no C6 CL1 C6 122.36(6) 2_646 2_646 2_646 ? C6 CL1 C8 93.82(4) 2_646 2_646 2_646 ? C6 CL1 C8 126.21(5) 2_646 2_646 2_646 ? C6 CL1 C9 85.46(5) 2_646 2_646 2_646 ? C6 CL1 C9 134.10(6) 2_646 2_646 2_646 ? C6 CL1 C9 138.42(5) 2_646 2_646 2_646 ? C6 CL1 C9 76.76(5) 2_646 2_646 2_646 ? C6 CL1 C10 110.14(5) 2_646 2_646 2_646 ? C6 CL1 H2 60.8(4) 2_646 2_646 2_646 no C6 CL1 H2 81.2(4) 2_646 2_646 2_646 no C6 CL1 H3 63.64(9) 2_646 2_646 2_646 no C6 CL1 H5 13.5(4) 2_646 2_646 2_646 no C6 CL1 H5 123.0(3) 2_646 2_646 2_646 no C6 CL1 H6 122.7(3) 2_646 2_646 2_646 no C6 CL1 H6 7.5(3) 2_646 2_646 2_646 no C6 CL1 H7 90.0(3) 2_646 2_646 2_646 no C6 CL1 H7 54.3(3) 2_646 2_646 2_646 no C6 CL1 H8 66.9(5) 2_646 2_646 2_646 no C6 CL1 H8 150.4(5) 2_646 2_646 2_646 no C6 CL1 H8 131.9(4) 2_646 2_646 2_646 no C6 CL1 H8 90.1(4) 2_646 2_646 2_646 no C6 CL1 C8 126.25(5) 2_656 2_656 2_656 ? C6 CL1 C8 93.86(4) 2_656 2_656 2_656 ? C6 CL1 C9 134.14(6) 2_656 2_656 2_656 ? C6 CL1 C9 85.49(5) 2_656 2_656 2_656 ? C6 CL1 C9 76.75(5) 2_656 2_656 2_656 ? C6 CL1 C9 138.41(5) 2_656 2_656 2_656 ? C6 CL1 C10 110.18(5) 2_656 2_656 2_656 ? C6 CL1 H2 81.1(4) 2_656 2_656 2_656 no C6 CL1 H2 60.7(4) 2_656 2_656 2_656 no C6 CL1 H3 63.61(9) 2_656 2_656 2_656 no C6 CL1 H5 123.0(3) 2_656 2_656 2_656 no C6 CL1 H5 13.5(4) 2_656 2_656 2_656 no C6 CL1 H6 7.5(3) 2_656 2_656 2_656 no C6 CL1 H6 122.7(3) 2_656 2_656 2_656 no C6 CL1 H7 54.3(3) 2_656 2_656 2_656 no C6 CL1 H7 90.0(3) 2_656 2_656 2_656 no C6 CL1 H8 150.4(5) 2_656 2_656 2_656 no C6 CL1 H8 66.9(5) 2_656 2_656 2_656 no C6 CL1 H8 90.1(4) 2_656 2_656 2_656 no C6 CL1 H8 131.9(4) 2_656 2_656 2_656 no C8 CL1 C8 34.81(5) . . . ? C8 CL1 C9 8.85(4) . . . ? C8 CL1 C9 43.66(5) . . . ? C8 CL1 C9 102.78(4) . . . ? C8 CL1 C9 83.53(4) . . . ? C8 CL1 C10 17.40(3) . . . ? C8 CL1 H2 151.4(4) . . . no C8 CL1 H2 173.0(4) . . . no C8 CL1 H3 152.6(3) . . . no C8 CL1 H5 101.4(3) . . . no C8 CL1 H5 135.8(3) . . . no C8 CL1 H6 119.6(3) . . . no C8 CL1 H6 88.3(3) . . . no C8 CL1 H7 91.7(3) . . . no C8 CL1 H7 80.2(3) . . . no C8 CL1 H8 28.7(5) . . . no C8 CL1 H8 63.5(5) . . . no C8 CL1 H8 92.7(3) . . . no C8 CL1 H8 79.6(3) . . . no C8 CL1 C9 43.65(5) 4 4 4 ? C8 CL1 C9 8.85(4) 4 4 4 ? C8 CL1 C9 83.55(4) 4 4 4 ? C8 CL1 C9 102.76(4) 4 4 4 ? C8 CL1 C10 17.41(3) 4 4 4 ? C8 CL1 H2 173.0(4) 4 4 4 no C8 CL1 H2 151.4(4) 4 4 4 no C8 CL1 H3 152.6(3) 4 4 4 no C8 CL1 H5 135.7(3) 4 4 4 no C8 CL1 H5 101.5(3) 4 4 4 no C8 CL1 H6 88.4(3) 4 4 4 no C8 CL1 H6 119.6(3) 4 4 4 no C8 CL1 H7 80.3(3) 4 4 4 no C8 CL1 H7 91.7(3) 4 4 4 no C8 CL1 H8 63.5(5) 4 4 4 no C8 CL1 H8 28.7(5) 4 4 4 no C8 CL1 H8 79.6(3) 4 4 4 no C8 CL1 H8 92.7(3) 4 4 4 no C9 CL1 C9 52.51(8) . . . ? C9 CL1 C9 107.42(5) . . . ? C9 CL1 C9 78.79(6) . . . ? C9 CL1 C10 26.25(4) . . . ? C9 CL1 H2 142.6(4) . . . no C9 CL1 H2 164.5(4) . . . no C9 CL1 H3 146.5(3) . . . no C9 CL1 H5 92.7(3) . . . no C9 CL1 H5 144.3(3) . . . no C9 CL1 H6 127.2(3) . . . no C9 CL1 H6 80.3(3) . . . no C9 CL1 H7 94.6(3) . . . no C9 CL1 H7 77.6(3) . . . no C9 CL1 H8 19.8(5) . . . no C9 CL1 H8 72.3(5) . . . no C9 CL1 H8 96.2(3) . . . no C9 CL1 H8 76.8(3) . . . no C9 CL1 C9 78.81(6) 4 4 4 ? C9 CL1 C9 107.39(5) 4 4 4 ? C9 CL1 C10 26.26(4) 4 4 4 ? C9 CL1 H2 164.5(4) 4 4 4 no C9 CL1 H2 142.6(4) 4 4 4 no C9 CL1 H3 146.5(3) 4 4 4 no C9 CL1 H5 144.3(3) 4 4 4 no C9 CL1 H5 92.7(3) 4 4 4 no C9 CL1 H6 80.3(3) 4 4 4 no C9 CL1 H6 127.2(3) 4 4 4 no C9 CL1 H7 77.6(3) 4 4 4 no C9 CL1 H7 94.6(3) 4 4 4 no C9 CL1 H8 72.3(5) 4 4 4 no C9 CL1 H8 19.8(5) 4 4 4 no C9 CL1 H8 76.8(3) 4 4 4 no C9 CL1 H8 96.2(3) 4 4 4 no C9 CL1 C9 67.78(6) 2_556 2_556 2_556 ? C9 CL1 C10 93.30(8) 2_556 2_556 2_556 ? C9 CL1 H2 90.5(3) 2_556 2_556 2_556 no C9 CL1 H2 78.3(4) 2_556 2_556 2_556 no C9 CL1 H3 104.5(4) 2_556 2_556 2_556 no C9 CL1 H5 125.2(4) 2_556 2_556 2_556 no C9 CL1 H5 67.1(4) 2_556 2_556 2_556 no C9 CL1 H6 81.2(4) 2_556 2_556 2_556 no C9 CL1 H6 145.2(4) 2_556 2_556 2_556 no C9 CL1 H7 126.7(4) 2_556 2_556 2_556 no C9 CL1 H7 165.5(4) 2_556 2_556 2_556 no C9 CL1 H8 116.3(4) 2_556 2_556 2_556 no C9 CL1 H8 68.9(4) 2_556 2_556 2_556 no C9 CL1 H8 13.6(4) 2_556 2_556 2_556 no C9 CL1 H8 56.8(4) 2_556 2_556 2_556 no C9 CL1 C10 93.28(8) 3_556 3_556 3_556 ? C9 CL1 H2 78.3(4) 3_556 3_556 3_556 no C9 CL1 H2 90.6(3) 3_556 3_556 3_556 no C9 CL1 H3 104.5(4) 3_556 3_556 3_556 no C9 CL1 H5 67.1(4) 3_556 3_556 3_556 no C9 CL1 H5 125.2(4) 3_556 3_556 3_556 no C9 CL1 H6 145.2(4) 3_556 3_556 3_556 no C9 CL1 H6 81.2(4) 3_556 3_556 3_556 no C9 CL1 H7 165.5(4) 3_556 3_556 3_556 no C9 CL1 H7 126.7(4) 3_556 3_556 3_556 no C9 CL1 H8 68.8(4) 3_556 3_556 3_556 no C9 CL1 H8 116.3(4) 3_556 3_556 3_556 no C9 CL1 H8 56.8(4) 3_556 3_556 3_556 no C9 CL1 H8 13.6(4) 3_556 3_556 3_556 no C10 CL1 H2 168.6(4) . . . no C10 CL1 H2 168.6(4) . . . no C10 CL1 H3 158.5(4) . . . no C10 CL1 H5 118.6(3) . . . no C10 CL1 H5 118.6(3) . . . no C10 CL1 H6 104.1(3) . . . no C10 CL1 H6 104.1(3) . . . no C10 CL1 H7 85.8(3) . . . no C10 CL1 H7 85.8(3) . . . no C10 CL1 H8 46.1(5) . . . no C10 CL1 H8 46.1(5) . . . no C10 CL1 H8 86.1(3) . . . no C10 CL1 H8 86.0(3) . . . no H2 CL1 H2 22.0(8) 1_454 1_454 1_454 no H2 CL1 H3 26.6(5) 1_454 1_454 1_454 no H2 CL1 H5 51.1(5) 1_454 1_454 1_454 no H2 CL1 H5 72.7(5) 1_454 1_454 1_454 no H2 CL1 H6 87.1(5) 1_454 1_454 1_454 no H2 CL1 H6 67.4(5) 1_454 1_454 1_454 no H2 CL1 H7 100.5(4) 1_454 1_454 1_454 no H2 CL1 H7 93.1(4) 1_454 1_454 1_454 no H2 CL1 H8 122.9(6) 1_454 1_454 1_454 no H2 CL1 H8 144.8(6) 1_454 1_454 1_454 no H2 CL1 H8 95.4(5) 1_454 1_454 1_454 no H2 CL1 H8 87.1(5) 1_454 1_454 1_454 no H2 CL1 H3 26.6(5) 4_454 4_454 4_454 no H2 CL1 H5 72.7(5) 4_454 4_454 4_454 no H2 CL1 H5 51.1(5) 4_454 4_454 4_454 no H2 CL1 H6 67.3(5) 4_454 4_454 4_454 no H2 CL1 H6 87.1(5) 4_454 4_454 4_454 no H2 CL1 H7 93.1(4) 4_454 4_454 4_454 no H2 CL1 H7 100.5(4) 4_454 4_454 4_454 no H2 CL1 H8 144.9(6) 4_454 4_454 4_454 no H2 CL1 H8 122.8(6) 4_454 4_454 4_454 no H2 CL1 H8 87.1(5) 4_454 4_454 4_454 no H2 CL1 H8 95.5(5) 4_454 4_454 4_454 no H3 CL1 H5 60.1(3) 1_454 1_454 1_454 no H3 CL1 H5 60.0(3) 1_454 1_454 1_454 no H3 CL1 H6 67.6(4) 1_454 1_454 1_454 no H3 CL1 H6 67.7(4) 1_454 1_454 1_454 no H3 CL1 H7 74.0(5) 1_454 1_454 1_454 no H3 CL1 H7 74.0(5) 1_454 1_454 1_454 no H3 CL1 H8 130.2(5) 1_454 1_454 1_454 no H3 CL1 H8 130.1(5) 1_454 1_454 1_454 no H3 CL1 H8 113.7(5) 1_454 1_454 1_454 no H3 CL1 H8 113.7(5) 1_454 1_454 1_454 no H5 CL1 H5 119.9(6) 2_646 2_646 2_646 no H5 CL1 H6 125.4(4) 2_646 2_646 2_646 no H5 CL1 H6 20.9(5) 2_646 2_646 2_646 no H5 CL1 H7 100.7(5) 2_646 2_646 2_646 no H5 CL1 H7 67.1(5) 2_646 2_646 2_646 no H5 CL1 H8 73.1(6) 2_646 2_646 2_646 no H5 CL1 H8 162.9(6) 2_646 2_646 2_646 no H5 CL1 H8 119.8(6) 2_646 2_646 2_646 no H5 CL1 H8 80.7(5) 2_646 2_646 2_646 no H5 CL1 H6 20.9(5) 2_656 2_656 2_656 no H5 CL1 H6 125.4(4) 2_656 2_656 2_656 no H5 CL1 H7 67.1(5) 2_656 2_656 2_656 no H5 CL1 H7 100.8(5) 2_656 2_656 2_656 no H5 CL1 H8 162.9(6) 2_656 2_656 2_656 no H5 CL1 H8 73.1(6) 2_656 2_656 2_656 no H5 CL1 H8 80.7(5) 2_656 2_656 2_656 no H5 CL1 H8 119.8(6) 2_656 2_656 2_656 no H6 CL1 H6 121.9(7) 2_656 2_656 2_656 no H6 CL1 H7 48.1(5) 2_656 2_656 2_656 no H6 CL1 H7 85.1(5) 2_656 2_656 2_656 no H6 CL1 H8 142.9(6) 2_656 2_656 2_656 no H6 CL1 H8 62.5(6) 2_656 2_656 2_656 no H6 CL1 H8 94.1(5) 2_656 2_656 2_656 no H6 CL1 H8 137.4(6) 2_656 2_656 2_656 no H6 CL1 H7 85.0(5) 3_656 3_656 3_656 no H6 CL1 H7 48.1(5) 3_656 3_656 3_656 no H6 CL1 H8 62.5(6) 3_656 3_656 3_656 no H6 CL1 H8 142.9(6) 3_656 3_656 3_656 no H6 CL1 H8 137.5(6) 3_656 3_656 3_656 no H6 CL1 H8 94.1(5) 3_656 3_656 3_656 no H7 CL1 H7 38.9(7) 2_656 2_656 2_656 no H7 CL1 H8 100.8(5) 2_656 2_656 2_656 no H7 CL1 H8 73.0(5) 2_656 2_656 2_656 no H7 CL1 H8 137.4(6) 2_656 2_656 2_656 no H7 CL1 H8 171.3(4) 2_656 2_656 2_656 no H7 CL1 H8 73.0(5) 3_656 3_656 3_656 no H7 CL1 H8 100.8(5) 3_656 3_656 3_656 no H7 CL1 H8 171.3(4) 3_656 3_656 3_656 no H7 CL1 H8 137.4(6) 3_656 3_656 3_656 no H8 CL1 H8 92.2(9) . . . no H8 CL1 H8 103.1(4) . . . no H8 CL1 H8 71.3(6) . . . no H8 CL1 H8 71.3(6) 4 4 4 no H8 CL1 H8 103.1(4) 4 4 4 no H8 CL1 H8 44.7(8) 2_556 2_556 2_556 no O1 CL2 N1 64.08(3) 2_647 2_647 2_647 ? O1 CL2 N1 64.04(3) 2_647 2_647 2_647 ? O1 CL2 N1 37.22(3) 2_647 2_647 2_647 ? O1 CL2 N2 101.36(3) 2_647 2_647 2_647 ? O1 CL2 N2 101.32(3) 2_647 2_647 2_647 ? O1 CL2 C1 83.25(4) 2_647 2_647 2_647 ? O1 CL2 C1 83.21(4) 2_647 2_647 2_647 ? O1 CL2 C1 18.41(3) 2_647 2_647 2_647 ? O1 CL2 C2 62.03(3) 2_647 2_647 2_647 ? O1 CL2 C2 62.00(3) 2_647 2_647 2_647 ? O1 CL2 C2 54.88(3) 2_647 2_647 2_647 ? O1 CL2 C3 79.00(3) 2_647 2_647 2_647 ? O1 CL2 C3 78.96(3) 2_647 2_647 2_647 ? O1 CL2 C4 98.79(3) 2_647 2_647 2_647 ? O1 CL2 C4 98.75(3) 2_647 2_647 2_647 ? O1 CL2 C5 77.44(4) 2_647 2_647 2_647 ? O1 CL2 C5 92.15(4) 2_647 2_647 2_647 ? O1 CL2 C7 119.80(3) 2_647 2_647 2_647 ? O1 CL2 C7 119.77(3) 2_647 2_647 2_647 ? O1 CL2 C8 136.06(3) 2_647 2_647 2_647 ? O1 CL2 C8 136.04(3) 2_647 2_647 2_647 ? O1 CL2 H1 38.1(6) 2_647 2_647 2_647 no O1 CL2 H2 85.2(3) 2_647 2_647 2_647 no O1 CL2 H2 85.2(3) 2_647 2_647 2_647 no O1 CL2 H3 93.9(5) 2_647 2_647 2_647 no O1 CL2 H4 46.8(3) 2_647 2_647 2_647 no O1 CL2 H6 127.0(3) 2_647 2_647 2_647 no O1 CL2 H6 127.0(3) 2_647 2_647 2_647 no O1 CL2 H7 141.1(4) 2_647 2_647 2_647 no O1 CL2 H7 141.1(4) 2_647 2_647 2_647 no N1 CL2 N1 125.30(5) . . . ? N1 CL2 N1 64.33(3) . . . ? N1 CL2 N2 37.50(3) . . . ? N1 CL2 N2 160.43(4) . . . ? N1 CL2 C1 21.39(3) . . . ? N1 CL2 C1 137.53(4) . . . ? N1 CL2 C1 62.66(3) . . . ? N1 CL2 C2 20.16(3) . . . ? N1 CL2 C2 125.90(4) . . . ? N1 CL2 C2 68.50(3) . . . ? N1 CL2 C3 36.12(4) . . . ? N1 CL2 C3 139.54(4) . . . ? N1 CL2 C4 43.38(4) . . . ? N1 CL2 C4 160.90(4) . . . ? N1 CL2 C5 76.57(3) . . . ? N1 CL2 C5 99.02(3) . . . ? N1 CL2 C7 56.08(3) . . . ? N1 CL2 C7 158.05(3) . . . ? N1 CL2 C8 74.46(4) . . . ? N1 CL2 C8 143.15(4) . . . ? N1 CL2 H1 64.48(11) . . . no N1 CL2 H2 90.0(4) . . . no N1 CL2 H2 69.7(4) . . . no N1 CL2 H3 99.8(2) . . . no N1 CL2 H4 78.7(1) . . . no N1 CL2 H6 74.1(3) . . . no N1 CL2 H6 157.1(3) . . . no N1 CL2 H7 81.2(5) . . . no N1 CL2 H7 136.4(5) . . . no N1 CL2 N1 64.32(3) 1_545 1_545 1_545 ? N1 CL2 N2 160.43(4) 1_545 1_545 1_545 ? N1 CL2 N2 37.50(3) 1_545 1_545 1_545 ? N1 CL2 C1 137.53(4) 1_545 1_545 1_545 ? N1 CL2 C1 21.39(3) 1_545 1_545 1_545 ? N1 CL2 C1 62.64(3) 1_545 1_545 1_545 ? N1 CL2 C2 125.89(4) 1_545 1_545 1_545 ? N1 CL2 C2 20.16(3) 1_545 1_545 1_545 ? N1 CL2 C2 68.50(3) 1_545 1_545 1_545 ? N1 CL2 C3 139.54(4) 1_545 1_545 1_545 ? N1 CL2 C3 36.11(4) 1_545 1_545 1_545 ? N1 CL2 C4 160.90(4) 1_545 1_545 1_545 ? N1 CL2 C4 43.38(4) 1_545 1_545 1_545 ? N1 CL2 C5 76.59(3) 1_545 1_545 1_545 ? N1 CL2 C5 99.00(3) 1_545 1_545 1_545 ? N1 CL2 C7 158.06(3) 1_545 1_545 1_545 ? N1 CL2 C7 56.08(3) 1_545 1_545 1_545 ? N1 CL2 C8 143.18(4) 1_545 1_545 1_545 ? N1 CL2 C8 74.48(4) 1_545 1_545 1_545 ? N1 CL2 H1 64.47(11) 1_545 1_545 1_545 no N1 CL2 H2 69.7(4) 1_545 1_545 1_545 no N1 CL2 H2 90.0(4) 1_545 1_545 1_545 no N1 CL2 H3 99.8(2) 1_545 1_545 1_545 no N1 CL2 H4 78.6(1) 1_545 1_545 1_545 no N1 CL2 H6 157.1(3) 1_545 1_545 1_545 no N1 CL2 H6 74.1(3) 1_545 1_545 1_545 no N1 CL2 H7 136.5(5) 1_545 1_545 1_545 no N1 CL2 H7 81.2(5) 1_545 1_545 1_545 no N1 CL2 N2 96.13(3) 2_647 2_647 2_647 ? N1 CL2 N2 96.12(3) 2_647 2_647 2_647 ? N1 CL2 C1 73.24(3) 2_647 2_647 2_647 ? N1 CL2 C1 73.22(3) 2_647 2_647 2_647 ? N1 CL2 C1 18.81(3) 2_647 2_647 2_647 ? N1 CL2 C2 75.62(3) 2_647 2_647 2_647 ? N1 CL2 C2 75.61(3) 2_647 2_647 2_647 ? N1 CL2 C2 17.66(3) 2_647 2_647 2_647 ? N1 CL2 C3 96.15(4) 2_647 2_647 2_647 ? N1 CL2 C3 96.14(4) 2_647 2_647 2_647 ? N1 CL2 C4 107.71(3) 2_647 2_647 2_647 ? N1 CL2 C4 107.69(3) 2_647 2_647 2_647 ? N1 CL2 C5 40.22(4) 2_647 2_647 2_647 ? N1 CL2 C5 129.37(4) 2_647 2_647 2_647 ? N1 CL2 C7 104.79(3) 2_647 2_647 2_647 ? N1 CL2 C7 104.78(3) 2_647 2_647 2_647 ? N1 CL2 C8 111.33(4) 2_647 2_647 2_647 ? N1 CL2 C8 111.32(4) 2_647 2_647 2_647 ? N1 CL2 H1 0.9(6) 2_647 2_647 2_647 no N1 CL2 H2 48.8(3) 2_647 2_647 2_647 no N1 CL2 H2 48.9(3) 2_647 2_647 2_647 no N1 CL2 H3 131.1(5) 2_647 2_647 2_647 no N1 CL2 H4 84.0(3) 2_647 2_647 2_647 no N1 CL2 H6 137.7(3) 2_647 2_647 2_647 no N1 CL2 H6 137.7(3) 2_647 2_647 2_647 no N1 CL2 H7 112.6(4) 2_647 2_647 2_647 no N1 CL2 H7 112.6(4) 2_647 2_647 2_647 no N2 CL2 N2 155.37(5) . . . ? N2 CL2 C1 22.90(4) . . . ? N2 CL2 C1 156.12(4) . . . ? N2 CL2 C1 99.25(3) . . . ? N2 CL2 C2 43.17(3) . . . ? N2 CL2 C2 161.46(3) . . . ? N2 CL2 C2 92.62(3) . . . ? N2 CL2 C3 37.84(3) . . . ? N2 CL2 C3 159.34(4) . . . ? N2 CL2 C4 22.41(3) . . . ? N2 CL2 C4 156.12(4) . . . ? N2 CL2 C5 87.83(3) . . . ? N2 CL2 C5 94.32(3) . . . ? N2 CL2 C7 20.95(3) . . . ? N2 CL2 C7 134.43(3) . . . ? N2 CL2 C8 40.73(4) . . . ? N2 CL2 C8 114.65(4) . . . ? N2 CL2 H1 95.97(12) . . . no N2 CL2 H2 97.3(4) . . . no N2 CL2 H2 75.2(4) . . . no N2 CL2 H3 93.97(10) . . . no N2 CL2 H4 101.25(4) . . . no N2 CL2 H6 42.2(3) . . . no N2 CL2 H6 125.1(3) . . . no N2 CL2 H7 48.1(5) . . . no N2 CL2 H7 107.3(5) . . . no N2 CL2 C1 156.12(4) 1_545 1_545 1_545 ? N2 CL2 C1 22.90(4) 1_545 1_545 1_545 ? N2 CL2 C1 99.22(3) 1_545 1_545 1_545 ? N2 CL2 C2 161.45(3) 1_545 1_545 1_545 ? N2 CL2 C2 43.16(3) 1_545 1_545 1_545 ? N2 CL2 C2 92.62(3) 1_545 1_545 1_545 ? N2 CL2 C3 159.34(4) 1_545 1_545 1_545 ? N2 CL2 C3 37.83(3) 1_545 1_545 1_545 ? N2 CL2 C4 156.11(4) 1_545 1_545 1_545 ? N2 CL2 C4 22.41(3) 1_545 1_545 1_545 ? N2 CL2 C5 87.84(3) 1_545 1_545 1_545 ? N2 CL2 C5 94.29(3) 1_545 1_545 1_545 ? N2 CL2 C7 134.45(3) 1_545 1_545 1_545 ? N2 CL2 C7 20.96(3) 1_545 1_545 1_545 ? N2 CL2 C8 114.68(4) 1_545 1_545 1_545 ? N2 CL2 C8 40.76(4) 1_545 1_545 1_545 ? N2 CL2 H1 95.95(12) 1_545 1_545 1_545 no N2 CL2 H2 75.2(4) 1_545 1_545 1_545 no N2 CL2 H2 97.3(4) 1_545 1_545 1_545 no N2 CL2 H3 93.95(10) 1_545 1_545 1_545 no N2 CL2 H4 101.21(4) 1_545 1_545 1_545 no N2 CL2 H6 125.1(3) 1_545 1_545 1_545 no N2 CL2 H6 42.2(3) 1_545 1_545 1_545 no N2 CL2 H7 107.3(5) 1_545 1_545 1_545 no N2 CL2 H7 48.1(5) 1_545 1_545 1_545 no C1 CL2 C1 139.90(6) . . . ? C1 CL2 C1 77.69(3) . . . ? C1 CL2 C2 37.34(3) . . . ? C1 CL2 C2 144.87(4) . . . ? C1 CL2 C2 70.66(3) . . . ? C1 CL2 C3 44.44(4) . . . ? C1 CL2 C3 160.91(4) . . . ? C1 CL2 C4 39.74(4) . . . ? C1 CL2 C4 177.71(4) . . . ? C1 CL2 C5 70.12(3) . . . ? C1 CL2 C5 109.05(3) . . . ? C1 CL2 C7 36.70(4) . . . ? C1 CL2 C7 140.29(4) . . . ? C1 CL2 C8 53.72(4) . . . ? C1 CL2 C8 122.54(4) . . . ? C1 CL2 H1 73.07(12) . . . no C1 CL2 H2 81.9(4) . . . no C1 CL2 H2 59.5(4) . . . no C1 CL2 H3 109.23(6) . . . no C1 CL2 H4 98.89(11) . . . no C1 CL2 H6 65.0(3) . . . no C1 CL2 H6 147.3(3) . . . no C1 CL2 H7 60.2(5) . . . no C1 CL2 H7 115.5(5) . . . no C1 CL2 C1 77.66(3) 1_545 1_545 1_545 ? C1 CL2 C2 144.86(4) 1_545 1_545 1_545 ? C1 CL2 C2 37.33(3) 1_545 1_545 1_545 ? C1 CL2 C2 70.66(3) 1_545 1_545 1_545 ? C1 CL2 C3 160.90(4) 1_545 1_545 1_545 ? C1 CL2 C3 44.43(4) 1_545 1_545 1_545 ? C1 CL2 C4 177.71(4) 1_545 1_545 1_545 ? C1 CL2 C4 39.75(4) 1_545 1_545 1_545 ? C1 CL2 C5 70.14(3) 1_545 1_545 1_545 ? C1 CL2 C5 109.02(3) 1_545 1_545 1_545 ? C1 CL2 C7 140.30(4) 1_545 1_545 1_545 ? C1 CL2 C7 36.71(4) 1_545 1_545 1_545 ? C1 CL2 C8 122.57(4) 1_545 1_545 1_545 ? C1 CL2 C8 53.74(4) 1_545 1_545 1_545 ? C1 CL2 H1 73.05(12) 1_545 1_545 1_545 no C1 CL2 H2 59.5(4) 1_545 1_545 1_545 no C1 CL2 H2 81.9(4) 1_545 1_545 1_545 no C1 CL2 H3 109.21(6) 1_545 1_545 1_545 no C1 CL2 H4 98.84(11) 1_545 1_545 1_545 no C1 CL2 H6 147.3(3) 1_545 1_545 1_545 no C1 CL2 H6 65.0(3) 1_545 1_545 1_545 no C1 CL2 H7 115.5(5) 1_545 1_545 1_545 no C1 CL2 H7 60.2(5) 1_545 1_545 1_545 no C1 CL2 C2 67.69(3) 2_647 2_647 2_647 ? C1 CL2 C2 67.67(3) 2_647 2_647 2_647 ? C1 CL2 C2 36.47(4) 2_647 2_647 2_647 ? C1 CL2 C3 87.38(4) 2_647 2_647 2_647 ? C1 CL2 C3 87.35(4) 2_647 2_647 2_647 ? C1 CL2 C4 103.90(3) 2_647 2_647 2_647 ? C1 CL2 C4 103.87(3) 2_647 2_647 2_647 ? C1 CL2 C5 59.04(4) 2_647 2_647 2_647 ? C1 CL2 C5 110.55(4) 2_647 2_647 2_647 ? C1 CL2 C7 113.47(3) 2_647 2_647 2_647 ? C1 CL2 C7 113.45(3) 2_647 2_647 2_647 ? C1 CL2 C8 125.01(4) 2_647 2_647 2_647 ? C1 CL2 C8 125.00(4) 2_647 2_647 2_647 ? C1 CL2 H1 19.7(6) 2_647 2_647 2_647 no C1 CL2 H2 67.1(3) 2_647 2_647 2_647 no C1 CL2 H2 67.1(3) 2_647 2_647 2_647 no C1 CL2 H3 112.3(5) 2_647 2_647 2_647 no C1 CL2 H4 65.2(3) 2_647 2_647 2_647 no C1 CL2 H6 135.0(3) 2_647 2_647 2_647 no C1 CL2 H6 134.9(3) 2_647 2_647 2_647 no C1 CL2 H7 128.0(4) 2_647 2_647 2_647 no C1 CL2 H7 128.0(4) 2_647 2_647 2_647 no C2 CL2 C2 118.30(4) . . . ? C2 CL2 C2 84.22(3) . . . ? C2 CL2 C3 20.54(4) . . . ? C2 CL2 C3 125.43(4) . . . ? C2 CL2 C4 36.98(4) . . . ? C2 CL2 C4 144.78(4) . . . ? C2 CL2 C5 95.73(3) . . . ? C2 CL2 C5 79.10(3) . . . ? C2 CL2 C7 64.10(3) . . . ? C2 CL2 C7 177.51(3) . . . ? C2 CL2 C8 83.87(4) . . . ? C2 CL2 C8 157.77(3) . . . ? C2 CL2 H1 76.0(3) . . . no C2 CL2 H2 109.3(4) . . . no C2 CL2 H2 89.7(4) . . . no C2 CL2 H3 79.9(2) . . . no C2 CL2 H4 61.85(8) . . . no C2 CL2 H6 67.4(3) . . . no C2 CL2 H6 140.4(3) . . . no C2 CL2 H7 91.2(5) . . . no C2 CL2 H7 150.4(5) . . . no C2 CL2 C2 84.22(3) 1_545 1_545 1_545 ? C2 CL2 C3 125.43(4) 1_545 1_545 1_545 ? C2 CL2 C3 20.53(4) 1_545 1_545 1_545 ? C2 CL2 C4 144.79(4) 1_545 1_545 1_545 ? C2 CL2 C4 36.97(4) 1_545 1_545 1_545 ? C2 CL2 C5 95.75(3) 1_545 1_545 1_545 ? C2 CL2 C5 79.08(3) 1_545 1_545 1_545 ? C2 CL2 C7 177.51(3) 1_545 1_545 1_545 ? C2 CL2 C7 64.10(3) 1_545 1_545 1_545 ? C2 CL2 C8 157.79(3) 1_545 1_545 1_545 ? C2 CL2 C8 83.89(4) 1_545 1_545 1_545 ? C2 CL2 H1 76.0(3) 1_545 1_545 1_545 no C2 CL2 H2 89.7(4) 1_545 1_545 1_545 no C2 CL2 H2 109.3(4) 1_545 1_545 1_545 no C2 CL2 H3 79.9(2) 1_545 1_545 1_545 no C2 CL2 H4 61.82(8) 1_545 1_545 1_545 no C2 CL2 H6 140.5(3) 1_545 1_545 1_545 no C2 CL2 H6 67.4(3) 1_545 1_545 1_545 no C2 CL2 H7 150.4(5) 1_545 1_545 1_545 no C2 CL2 H7 91.2(5) 1_545 1_545 1_545 no C2 CL2 C3 103.92(3) 2_647 2_647 2_647 ? C2 CL2 C3 103.92(3) 2_647 2_647 2_647 ? C2 CL2 C4 109.55(3) 2_647 2_647 2_647 ? C2 CL2 C4 109.55(3) 2_647 2_647 2_647 ? C2 CL2 C5 22.57(4) 2_647 2_647 2_647 ? C2 CL2 C5 147.02(4) 2_647 2_647 2_647 ? C2 CL2 C7 95.51(3) 2_647 2_647 2_647 ? C2 CL2 C7 95.51(3) 2_647 2_647 2_647 ? C2 CL2 C8 97.51(4) 2_647 2_647 2_647 ? C2 CL2 C8 97.51(4) 2_647 2_647 2_647 ? C2 CL2 H1 16.8(6) 2_647 2_647 2_647 no C2 CL2 H2 32.0(3) 2_647 2_647 2_647 no C2 CL2 H2 32.0(3) 2_647 2_647 2_647 no C2 CL2 H3 148.8(5) 2_647 2_647 2_647 no C2 CL2 H4 101.7(3) 2_647 2_647 2_647 no C2 CL2 H6 134.3(3) 2_647 2_647 2_647 no C2 CL2 H6 134.3(3) 2_647 2_647 2_647 no C2 CL2 H7 97.5(4) 2_647 2_647 2_647 no C2 CL2 H7 97.5(4) 2_647 2_647 2_647 no C3 CL2 C3 124.02(5) . . . ? C3 CL2 C4 21.37(4) . . . ? C3 CL2 C4 136.95(4) . . . ? C3 CL2 C5 112.13(3) . . . ? C3 CL2 C5 65.10(3) . . . ? C3 CL2 C7 57.04(3) . . . ? C3 CL2 C7 158.89(4) . . . ? C3 CL2 C8 75.82(4) . . . ? C3 CL2 C8 144.79(4) . . . ? C3 CL2 H1 96.6(3) . . . no C3 CL2 H2 125.1(4) . . . no C3 CL2 H2 103.3(4) . . . no C3 CL2 H3 65.51(11) . . . no C3 CL2 H4 63.70(6) . . . no C3 CL2 H6 48.4(3) . . . no C3 CL2 H6 121.7(3) . . . no C3 CL2 H7 83.0(5) . . . no C3 CL2 H7 138.7(5) . . . no C3 CL2 C4 136.96(4) 1_545 1_545 1_545 ? C3 CL2 C4 21.36(4) 1_545 1_545 1_545 ? C3 CL2 C5 112.14(3) 1_545 1_545 1_545 ? C3 CL2 C5 65.09(3) 1_545 1_545 1_545 ? C3 CL2 C7 158.89(4) 1_545 1_545 1_545 ? C3 CL2 C7 57.05(3) 1_545 1_545 1_545 ? C3 CL2 C8 144.81(4) 1_545 1_545 1_545 ? C3 CL2 C8 75.84(4) 1_545 1_545 1_545 ? C3 CL2 H1 96.5(3) 1_545 1_545 1_545 no C3 CL2 H2 103.3(4) 1_545 1_545 1_545 no C3 CL2 H2 125.1(4) 1_545 1_545 1_545 no C3 CL2 H3 65.49(11) 1_545 1_545 1_545 no C3 CL2 H4 63.67(6) 1_545 1_545 1_545 no C3 CL2 H6 121.7(3) 1_545 1_545 1_545 no C3 CL2 H6 48.4(3) 1_545 1_545 1_545 no C3 CL2 H7 138.7(5) 1_545 1_545 1_545 no C3 CL2 H7 83.0(5) 1_545 1_545 1_545 no C4 CL2 C4 140.47(5) . . . ? C4 CL2 C5 109.13(3) . . . ? C4 CL2 C5 72.11(3) . . . ? C4 CL2 C7 37.56(3) . . . ? C4 CL2 C7 141.37(4) . . . ? C4 CL2 C8 55.17(4) . . . ? C4 CL2 C8 124.09(4) . . . ? C4 CL2 H1 107.84(10) . . . no C4 CL2 H2 119.4(4) . . . no C4 CL2 H2 97.1(4) . . . no C4 CL2 H3 71.86(7) . . . no C4 CL2 H4 83.37(11) . . . no C4 CL2 H6 31.2(3) . . . no C4 CL2 H6 114.3(3) . . . no C4 CL2 H7 62.2(5) . . . no C4 CL2 H7 117.6(5) . . . no C4 CL2 C5 109.14(3) 1_545 1_545 1_545 ? C4 CL2 C5 72.09(3) 1_545 1_545 1_545 ? C4 CL2 C7 141.39(4) 1_545 1_545 1_545 ? C4 CL2 C7 37.57(3) 1_545 1_545 1_545 ? C4 CL2 C8 124.12(4) 1_545 1_545 1_545 ? C4 CL2 C8 55.19(4) 1_545 1_545 1_545 ? C4 CL2 H1 107.83(10) 1_545 1_545 1_545 no C4 CL2 H2 97.1(4) 1_545 1_545 1_545 no C4 CL2 H2 119.5(4) 1_545 1_545 1_545 no C4 CL2 H3 71.84(7) 1_545 1_545 1_545 no C4 CL2 H4 83.33(11) 1_545 1_545 1_545 no C4 CL2 H6 114.3(3) 1_545 1_545 1_545 no C4 CL2 H6 31.2(3) 1_545 1_545 1_545 no C4 CL2 H7 117.6(5) 1_545 1_545 1_545 no C4 CL2 H7 62.2(5) 1_545 1_545 1_545 no C5 CL2 C5 169.59(6) 2_647 2_647 2_647 ? C5 CL2 C7 83.19(3) 2_647 2_647 2_647 ? C5 CL2 C7 83.20(3) 2_647 2_647 2_647 ? C5 CL2 C8 79.52(4) 2_647 2_647 2_647 ? C5 CL2 C8 79.53(4) 2_647 2_647 2_647 ? C5 CL2 H1 39.3(6) 2_647 2_647 2_647 no C5 CL2 H2 13.6(4) 2_647 2_647 2_647 no C5 CL2 H2 13.6(4) 2_647 2_647 2_647 no C5 CL2 H3 171.3(5) 2_647 2_647 2_647 no C5 CL2 H4 124.3(3) 2_647 2_647 2_647 no C5 CL2 H6 123.4(3) 2_647 2_647 2_647 no C5 CL2 H6 123.4(3) 2_647 2_647 2_647 no C5 CL2 H7 77.9(4) 2_647 2_647 2_647 no C5 CL2 H7 77.9(4) 2_647 2_647 2_647 no C5 CL2 C7 102.33(3) 2_747 2_747 2_747 ? C5 CL2 C7 102.31(3) 2_747 2_747 2_747 ? C5 CL2 C8 108.63(4) 2_747 2_747 2_747 ? C5 CL2 C8 108.62(4) 2_747 2_747 2_747 ? C5 CL2 H1 130.3(6) 2_747 2_747 2_747 no C5 CL2 H2 168.4(4) 2_747 2_747 2_747 no C5 CL2 H2 168.4(4) 2_747 2_747 2_747 no C5 CL2 H3 1.7(5) 2_747 2_747 2_747 no C5 CL2 H4 45.3(3) 2_747 2_747 2_747 no C5 CL2 H6 63.1(3) 2_747 2_747 2_747 no C5 CL2 H6 63.1(3) 2_747 2_747 2_747 no C5 CL2 H7 111.0(4) 2_747 2_747 2_747 no C5 CL2 H7 111.0(4) 2_747 2_747 2_747 no C7 CL2 C7 113.49(4) . . . ? C7 CL2 C8 19.78(3) . . . ? C7 CL2 C8 93.70(4) . . . ? C7 CL2 H1 104.3(3) . . . no C7 CL2 H2 88.8(4) . . . no C7 CL2 H2 69.6(4) . . . no C7 CL2 H3 101.4(2) . . . no C7 CL2 H4 120.63(8) . . . no C7 CL2 H6 40.4(3) . . . no C7 CL2 H6 111.3(3) . . . no C7 CL2 H7 27.1(5) . . . no C7 CL2 H7 86.4(5) . . . no C7 CL2 C8 93.72(4) 1_545 1_545 1_545 ? C7 CL2 C8 19.80(3) 1_545 1_545 1_545 ? C7 CL2 H1 104.3(3) 1_545 1_545 1_545 no C7 CL2 H2 69.6(4) 1_545 1_545 1_545 no C7 CL2 H2 88.8(4) 1_545 1_545 1_545 no C7 CL2 H3 101.4(2) 1_545 1_545 1_545 no C7 CL2 H4 120.60(8) 1_545 1_545 1_545 no C7 CL2 H6 111.3(3) 1_545 1_545 1_545 no C7 CL2 H6 40.4(3) 1_545 1_545 1_545 no C7 CL2 H7 86.4(5) 1_545 1_545 1_545 no C7 CL2 H7 27.2(5) 1_545 1_545 1_545 no C8 CL2 C8 73.92(5) . . . ? C8 CL2 H1 110.6(5) . . . no C8 CL2 H2 80.8(4) . . . no C8 CL2 H2 66.7(4) . . . no C8 CL2 H3 107.3(4) . . . no C8 CL2 H4 138.2(1) . . . no C8 CL2 H6 46.5(3) . . . no C8 CL2 H6 96.9(3) . . . no C8 CL2 H7 7.4(5) . . . no C8 CL2 H7 66.6(5) . . . no C8 CL2 H1 110.6(5) 4_545 4_545 4_545 no C8 CL2 H2 66.7(4) 4_545 4_545 4_545 no C8 CL2 H2 80.8(4) 4_545 4_545 4_545 no C8 CL2 H3 107.3(4) 4_545 4_545 4_545 no C8 CL2 H4 138.2(1) 4_545 4_545 4_545 no C8 CL2 H6 96.9(3) 4_545 4_545 4_545 no C8 CL2 H6 46.5(3) 4_545 4_545 4_545 no C8 CL2 H7 66.6(5) 4_545 4_545 4_545 no C8 CL2 H7 7.4(5) 4_545 4_545 4_545 no H1 CL2 H2 48.0(7) 2_647 2_647 2_647 no H1 CL2 H2 48.0(7) 2_647 2_647 2_647 no H1 CL2 H3 132.0(8) 2_647 2_647 2_647 no H1 CL2 H4 84.9(7) 2_647 2_647 2_647 no H1 CL2 H6 137.6(3) 2_647 2_647 2_647 no H1 CL2 H6 137.6(3) 2_647 2_647 2_647 no H1 CL2 H7 111.9(6) 2_647 2_647 2_647 no H1 CL2 H7 111.9(6) 2_647 2_647 2_647 no H2 CL2 H2 22.5(8) 2_647 2_647 2_647 no H2 CL2 H3 168.7(4) 2_647 2_647 2_647 no H2 CL2 H4 130.9(4) 2_647 2_647 2_647 no H2 CL2 H6 127.0(5) 2_647 2_647 2_647 no H2 CL2 H6 109.9(5) 2_647 2_647 2_647 no H2 CL2 H7 77.5(5) 2_647 2_647 2_647 no H2 CL2 H7 65.8(5) 2_647 2_647 2_647 no H2 CL2 H3 168.7(4) 3_657 3_657 3_657 no H2 CL2 H4 130.9(4) 3_657 3_657 3_657 no H2 CL2 H6 109.8(5) 3_657 3_657 3_657 no H2 CL2 H6 127.1(5) 3_657 3_657 3_657 no H2 CL2 H7 65.8(5) 3_657 3_657 3_657 no H2 CL2 H7 77.5(5) 3_657 3_657 3_657 no H3 CL2 H4 47.1(6) 2_747 2_747 2_747 no H3 CL2 H6 62.0(4) 2_747 2_747 2_747 no H3 CL2 H6 62.0(4) 2_747 2_747 2_747 no H3 CL2 H7 109.5(6) 2_747 2_747 2_747 no H3 CL2 H7 109.5(6) 2_747 2_747 2_747 no H4 CL2 H6 95.6(4) 2_747 2_747 2_747 no H4 CL2 H6 95.6(4) 2_747 2_747 2_747 no H4 CL2 H7 144.6(5) 2_747 2_747 2_747 no H4 CL2 H7 144.6(5) 2_747 2_747 2_747 no H6 CL2 H6 84.6(6) . . . no H6 CL2 H7 50.7(5) . . . no H6 CL2 H7 91.8(6) . . . no H6 CL2 H7 91.8(6) 4_545 4_545 4_545 no H6 CL2 H7 50.7(5) 4_545 4_545 4_545 no H7 CL2 H7 59.2(10) . . . no CL2 O1 N1 53.51(5) 2_657 2_657 2_657 ? CL2 O1 N1 58.08(3) 2_657 2_657 2_657 ? CL2 O1 N1 58.11(3) 2_657 2_657 2_657 ? CL2 O1 N2 115.07(5) 2_657 2_657 2_657 ? CL2 O1 C1 84.18(11) 2_657 2_657 2_657 ? CL2 O1 C2 64.15(4) 2_657 2_657 2_657 ? CL2 O1 C2 60.73(3) 2_657 2_657 2_657 ? CL2 O1 C2 60.76(3) 2_657 2_657 2_657 ? CL2 O1 C3 83.87(4) 2_657 2_657 2_657 ? CL2 O1 C3 67.35(4) 2_657 2_657 2_657 ? CL2 O1 C4 103.74(4) 2_657 2_657 2_657 ? CL2 O1 C4 88.37(4) 2_657 2_657 2_657 ? CL2 O1 C5 81.80(4) 2_657 2_657 2_657 ? CL2 O1 C5 81.84(4) 2_657 2_657 2_657 ? CL2 O1 C6 110.43(5) 2_657 2_657 2_657 ? CL2 O1 C7 148.01(5) 2_657 2_657 2_657 ? CL2 O1 C8 150.39(4) 2_657 2_657 2_657 ? CL2 O1 C8 150.40(4) 2_657 2_657 2_657 ? CL2 O1 H1 31.9(6) 2_657 2_657 2_657 no CL2 O1 H1 68.7(4) 2_657 2_657 2_657 no CL2 O1 H1 68.7(4) 2_657 2_657 2_657 no CL2 O1 H2 90.4(4) 2_657 2_657 2_657 no CL2 O1 H2 90.4(4) 2_657 2_657 2_657 no CL2 O1 H3 83.3(3) 2_657 2_657 2_657 no CL2 O1 H3 83.4(3) 2_657 2_657 2_657 no CL2 O1 H4 58.0(4) 2_657 2_657 2_657 no CL2 O1 H5 114.5(6) 2_657 2_657 2_657 no CL2 O1 H6 116.6(3) 2_657 2_657 2_657 no CL2 O1 H6 116.6(3) 2_657 2_657 2_657 no CL2 O1 H7 135.0(4) 2_657 2_657 2_657 no CL2 O1 H7 135.0(4) 2_657 2_657 2_657 no N1 O1 N1 65.10(4) . . . ? N1 O1 N1 65.13(4) . . . ? N1 O1 N2 61.56(6) . . . ? N1 O1 C1 30.67(11) . . . ? N1 O1 C2 10.64(5) . . . ? N1 O1 C2 82.73(4) . . . ? N1 O1 C2 82.77(4) . . . ? N1 O1 C3 30.36(5) . . . ? N1 O1 C3 120.86(7) . . . ? N1 O1 C4 50.23(6) . . . ? N1 O1 C4 141.88(7) . . . ? N1 O1 C5 101.61(4) . . . ? N1 O1 C5 101.66(4) . . . ? N1 O1 C6 163.94(8) . . . ? N1 O1 C7 94.50(7) . . . ? N1 O1 C8 104.23(7) . . . ? N1 O1 C8 104.24(7) . . . ? N1 O1 H1 21.6(6) . . . no N1 O1 H1 63.8(3) . . . no N1 O1 H1 63.9(3) . . . no N1 O1 H2 104.1(4) . . . no N1 O1 H2 104.1(4) . . . no N1 O1 H3 111.4(3) . . . no N1 O1 H3 111.4(3) . . . no N1 O1 H4 111.5(4) . . . no N1 O1 H5 168.0(6) . . . no N1 O1 H6 165.2(3) . . . no N1 O1 H6 165.2(3) . . . no N1 O1 H7 96.3(3) . . . no N1 O1 H7 96.4(3) . . . no N1 O1 N1 113.97(5) 2_647 2_647 2_647 ? N1 O1 N2 95.96(4) 2_647 2_647 2_647 ? N1 O1 C1 79.30(6) 2_647 2_647 2_647 ? N1 O1 C2 69.52(3) 2_647 2_647 2_647 ? N1 O1 C2 19.54(3) 2_647 2_647 2_647 ? N1 O1 C2 118.69(5) 2_647 2_647 2_647 ? N1 O1 C3 79.14(3) 2_647 2_647 2_647 ? N1 O1 C3 85.35(4) 2_647 2_647 2_647 ? N1 O1 C4 89.81(4) 2_647 2_647 2_647 ? N1 O1 C4 96.75(4) 2_647 2_647 2_647 ? N1 O1 C5 36.63(4) 2_647 2_647 2_647 ? N1 O1 C5 138.29(6) 2_647 2_647 2_647 ? N1 O1 C6 107.99(4) 2_647 2_647 2_647 ? N1 O1 C7 112.22(4) 2_647 2_647 2_647 ? N1 O1 C8 96.45(4) 2_647 2_647 2_647 ? N1 O1 C8 135.85(5) 2_647 2_647 2_647 ? N1 O1 H1 58.74(12) 2_647 2_647 2_647 no N1 O1 H1 13.0(4) 2_647 2_647 2_647 no N1 O1 H1 121.1(3) 2_647 2_647 2_647 no N1 O1 H2 147.5(4) 2_647 2_647 2_647 no N1 O1 H2 40.8(4) 2_647 2_647 2_647 no N1 O1 H3 46.4(3) 2_647 2_647 2_647 no N1 O1 H3 135.2(3) 2_647 2_647 2_647 no N1 O1 H4 80.3(2) 2_647 2_647 2_647 no N1 O1 H5 109.9(3) 2_647 2_647 2_647 no N1 O1 H6 100.7(3) 2_647 2_647 2_647 no N1 O1 H6 121.3(3) 2_647 2_647 2_647 no N1 O1 H7 79.9(4) 2_647 2_647 2_647 no N1 O1 H7 145.1(4) 2_647 2_647 2_647 no N1 O1 N2 95.97(4) 2_657 2_657 2_657 ? N1 O1 C1 79.33(6) 2_657 2_657 2_657 ? N1 O1 C2 69.55(3) 2_657 2_657 2_657 ? N1 O1 C2 118.68(5) 2_657 2_657 2_657 ? N1 O1 C2 19.55(3) 2_657 2_657 2_657 ? N1 O1 C3 79.16(3) 2_657 2_657 2_657 ? N1 O1 C3 85.34(4) 2_657 2_657 2_657 ? N1 O1 C4 89.82(4) 2_657 2_657 2_657 ? N1 O1 C4 96.73(4) 2_657 2_657 2_657 ? N1 O1 C5 138.27(6) 2_657 2_657 2_657 ? N1 O1 C5 36.64(4) 2_657 2_657 2_657 ? N1 O1 C6 107.96(4) 2_657 2_657 2_657 ? N1 O1 C7 112.20(4) 2_657 2_657 2_657 ? N1 O1 C8 135.84(5) 2_657 2_657 2_657 ? N1 O1 C8 96.43(4) 2_657 2_657 2_657 ? N1 O1 H1 58.77(12) 2_657 2_657 2_657 no N1 O1 H1 121.1(3) 2_657 2_657 2_657 no N1 O1 H1 13.0(4) 2_657 2_657 2_657 no N1 O1 H2 40.8(4) 2_657 2_657 2_657 no N1 O1 H2 147.5(4) 2_657 2_657 2_657 no N1 O1 H3 135.2(3) 2_657 2_657 2_657 no N1 O1 H3 46.4(3) 2_657 2_657 2_657 no N1 O1 H4 80.3(2) 2_657 2_657 2_657 no N1 O1 H5 109.8(3) 2_657 2_657 2_657 no N1 O1 H6 121.3(3) 2_657 2_657 2_657 no N1 O1 H6 100.6(3) 2_657 2_657 2_657 no N1 O1 H7 145.0(4) 2_657 2_657 2_657 no N1 O1 H7 79.9(4) 2_657 2_657 2_657 no N2 O1 C1 30.89(10) . . . ? N2 O1 C2 50.92(5) . . . ? N2 O1 C2 113.09(4) . . . ? N2 O1 C2 113.10(4) . . . ? N2 O1 C3 31.21(5) . . . ? N2 O1 C3 177.57(7) . . . ? N2 O1 C4 11.33(4) . . . ? N2 O1 C4 156.56(7) . . . ? N2 O1 C5 112.51(4) . . . ? N2 O1 C5 112.51(4) . . . ? N2 O1 C6 134.50(7) . . . ? N2 O1 C7 32.93(5) . . . ? N2 O1 C8 47.62(5) . . . ? N2 O1 C8 47.63(5) . . . ? N2 O1 H1 83.2(6) . . . no N2 O1 H1 84.3(4) . . . no N2 O1 H1 84.3(4) . . . no N2 O1 H2 105.5(4) . . . no N2 O1 H2 105.5(4) . . . no N2 O1 H3 122.5(3) . . . no N2 O1 H3 122.5(3) . . . no N2 O1 H4 173.1(4) . . . no N2 O1 H5 130.4(6) . . . no N2 O1 H6 126.9(3) . . . no N2 O1 H6 126.9(3) . . . no N2 O1 H7 49.5(3) . . . no N2 O1 H7 49.6(3) . . . no C1 O1 C2 20.03(10) . . . ? C1 O1 C2 98.84(7) . . . ? C1 O1 C2 98.86(7) . . . ? C1 O1 C3 0.31(10) . . . ? C1 O1 C3 151.53(13) . . . ? C1 O1 C4 19.56(10) . . . ? C1 O1 C4 172.55(13) . . . ? C1 O1 C5 109.85(5) . . . ? C1 O1 C5 109.88(5) . . . ? C1 O1 C6 165.39(13) . . . ? C1 O1 C7 63.83(11) . . . ? C1 O1 C8 75.67(11) . . . ? C1 O1 C8 75.69(11) . . . ? C1 O1 H1 52.3(6) . . . no C1 O1 H1 71.6(4) . . . no C1 O1 H1 71.7(4) . . . no C1 O1 H2 107.3(4) . . . no C1 O1 H2 107.3(4) . . . no C1 O1 H3 121.6(3) . . . no C1 O1 H3 121.7(3) . . . no C1 O1 H4 142.2(4) . . . no C1 O1 H5 161.3(6) . . . no C1 O1 H6 155.9(3) . . . no C1 O1 H6 155.9(3) . . . no C1 O1 H7 71.8(3) . . . no C1 O1 H7 71.8(3) . . . no C2 O1 C2 88.32(4) . . . ? C2 O1 C2 88.35(4) . . . ? C2 O1 C3 19.72(4) . . . ? C2 O1 C3 131.50(6) . . . ? C2 O1 C4 39.59(4) . . . ? C2 O1 C4 152.52(6) . . . ? C2 O1 C5 104.96(4) . . . ? C2 O1 C5 105.00(4) . . . ? C2 O1 C6 174.58(7) . . . ? C2 O1 C7 83.86(6) . . . ? C2 O1 C8 94.33(5) . . . ? C2 O1 C8 94.34(5) . . . ? C2 O1 H1 32.2(6) . . . no C2 O1 H1 65.8(3) . . . no C2 O1 H1 65.8(3) . . . no C2 O1 H2 105.8(4) . . . no C2 O1 H2 105.7(4) . . . no C2 O1 H3 115.8(3) . . . no C2 O1 H3 115.8(3) . . . no C2 O1 H4 122.1(4) . . . no C2 O1 H5 178.6(6) . . . no C2 O1 H6 168.4(3) . . . no C2 O1 H6 168.4(3) . . . no C2 O1 H7 87.8(3) . . . no C2 O1 H7 87.8(3) . . . no C2 O1 C2 116.02(6) 2_647 2_647 2_647 ? C2 O1 C3 98.68(4) 2_647 2_647 2_647 ? C2 O1 C3 67.86(3) 2_647 2_647 2_647 ? C2 O1 C4 108.33(4) 2_647 2_647 2_647 ? C2 O1 C4 77.40(4) 2_647 2_647 2_647 ? C2 O1 C5 22.23(4) 2_647 2_647 2_647 ? C2 O1 C5 129.87(6) 2_647 2_647 2_647 ? C2 O1 C6 88.81(4) 2_647 2_647 2_647 ? C2 O1 C7 121.53(3) 2_647 2_647 2_647 ? C2 O1 C8 100.83(4) 2_647 2_647 2_647 ? C2 O1 C8 143.14(5) 2_647 2_647 2_647 ? C2 O1 H1 72.1(3) 2_647 2_647 2_647 no C2 O1 H1 29.1(4) 2_647 2_647 2_647 no C2 O1 H1 129.3(4) 2_647 2_647 2_647 no C2 O1 H2 138.8(4) 2_647 2_647 2_647 no C2 O1 H2 29.9(4) 2_647 2_647 2_647 no C2 O1 H3 29.0(3) 2_647 2_647 2_647 no C2 O1 H3 122.7(3) 2_647 2_647 2_647 no C2 O1 H4 64.38(13) 2_647 2_647 2_647 no C2 O1 H5 91.0(3) 2_647 2_647 2_647 no C2 O1 H6 82.6(3) 2_647 2_647 2_647 no C2 O1 H6 102.1(3) 2_647 2_647 2_647 no C2 O1 H7 85.5(4) 2_647 2_647 2_647 no C2 O1 H7 158.0(4) 2_647 2_647 2_647 no C2 O1 C3 98.70(4) 2_657 2_657 2_657 ? C2 O1 C3 67.85(3) 2_657 2_657 2_657 ? C2 O1 C4 108.35(4) 2_657 2_657 2_657 ? C2 O1 C4 77.38(4) 2_657 2_657 2_657 ? C2 O1 C5 129.86(6) 2_657 2_657 2_657 ? C2 O1 C5 22.24(4) 2_657 2_657 2_657 ? C2 O1 C6 88.78(4) 2_657 2_657 2_657 ? C2 O1 C7 121.51(3) 2_657 2_657 2_657 ? C2 O1 C8 143.12(5) 2_657 2_657 2_657 ? C2 O1 C8 100.81(4) 2_657 2_657 2_657 ? C2 O1 H1 72.2(3) 2_657 2_657 2_657 no C2 O1 H1 129.3(4) 2_657 2_657 2_657 no C2 O1 H1 29.1(4) 2_657 2_657 2_657 no C2 O1 H2 29.9(4) 2_657 2_657 2_657 no C2 O1 H2 138.8(4) 2_657 2_657 2_657 no C2 O1 H3 122.7(3) 2_657 2_657 2_657 no C2 O1 H3 29.0(3) 2_657 2_657 2_657 no C2 O1 H4 64.37(13) 2_657 2_657 2_657 no C2 O1 H5 90.9(3) 2_657 2_657 2_657 no C2 O1 H6 102.1(3) 2_657 2_657 2_657 no C2 O1 H6 82.6(3) 2_657 2_657 2_657 no C2 O1 H7 158.0(4) 2_657 2_657 2_657 no C2 O1 H7 85.5(4) 2_657 2_657 2_657 no C3 O1 C3 151.22(7) . . . ? C3 O1 C4 19.88(4) . . . ? C3 O1 C4 172.24(6) . . . ? C3 O1 C5 109.79(4) . . . ? C3 O1 C5 109.82(4) . . . ? C3 O1 C6 165.71(6) . . . ? C3 O1 C7 64.14(5) . . . ? C3 O1 C8 75.96(5) . . . ? C3 O1 C8 75.98(5) . . . ? C3 O1 H1 52.0(6) . . . no C3 O1 H1 71.5(4) . . . no C3 O1 H1 71.6(4) . . . no C3 O1 H2 107.3(4) . . . no C3 O1 H2 107.3(4) . . . no C3 O1 H3 121.6(3) . . . no C3 O1 H3 121.6(3) . . . no C3 O1 H4 141.9(4) . . . no C3 O1 H5 161.6(6) . . . no C3 O1 H6 156.2(3) . . . no C3 O1 H6 156.2(3) . . . no C3 O1 H7 72.1(3) . . . no C3 O1 H7 72.1(3) . . . no C3 O1 C4 171.09(6) 1_455 1_455 1_455 ? C3 O1 C4 21.02(4) 1_455 1_455 1_455 ? C3 O1 C5 67.46(4) 1_455 1_455 1_455 ? C3 O1 C5 67.45(4) 1_455 1_455 1_455 ? C3 O1 C6 43.08(5) 1_455 1_455 1_455 ? C3 O1 C7 144.64(6) 1_455 1_455 1_455 ? C3 O1 C8 130.25(5) 1_455 1_455 1_455 ? C3 O1 C8 130.24(5) 1_455 1_455 1_455 ? C3 O1 H1 99.3(6) 1_455 1_455 1_455 no C3 O1 H1 96.8(4) 1_455 1_455 1_455 no C3 O1 H1 96.8(4) 1_455 1_455 1_455 no C3 O1 H2 74.2(4) 1_455 1_455 1_455 no C3 O1 H2 74.2(4) 1_455 1_455 1_455 no C3 O1 H3 57.2(3) 1_455 1_455 1_455 no C3 O1 H3 57.2(3) 1_455 1_455 1_455 no C3 O1 H4 9.4(4) 1_455 1_455 1_455 no C3 O1 H5 47.1(6) 1_455 1_455 1_455 no C3 O1 H6 50.8(3) 1_455 1_455 1_455 no C3 O1 H6 50.8(3) 1_455 1_455 1_455 no C3 O1 H7 128.9(3) 1_455 1_455 1_455 no C3 O1 H7 128.9(3) 1_455 1_455 1_455 no C4 O1 C4 167.89(7) . . . ? C4 O1 C5 112.31(4) . . . ? C4 O1 C5 112.32(4) . . . ? C4 O1 C6 145.83(7) . . . ? C4 O1 C7 44.26(5) . . . ? C4 O1 C8 57.71(5) . . . ? C4 O1 C8 57.72(5) . . . ? C4 O1 H1 71.8(6) . . . no C4 O1 H1 79.3(4) . . . no C4 O1 H1 79.3(4) . . . no C4 O1 H2 106.7(4) . . . no C4 O1 H2 106.7(4) . . . no C4 O1 H3 123.5(3) . . . no C4 O1 H3 123.5(3) . . . no C4 O1 H4 161.7(4) . . . no C4 O1 H5 141.8(6) . . . no C4 O1 H6 137.8(3) . . . no C4 O1 H6 137.8(3) . . . no C4 O1 H7 57.1(3) . . . no C4 O1 H7 57.2(3) . . . no C4 O1 C5 68.91(4) 1_455 1_455 1_455 ? C4 O1 C5 68.89(4) 1_455 1_455 1_455 ? C4 O1 C6 22.06(5) 1_455 1_455 1_455 ? C4 O1 C7 123.62(6) 1_455 1_455 1_455 ? C4 O1 C8 111.22(5) 1_455 1_455 1_455 ? C4 O1 C8 111.21(5) 1_455 1_455 1_455 ? C4 O1 H1 120.3(6) 1_455 1_455 1_455 no C4 O1 H1 105.6(4) 1_455 1_455 1_455 no C4 O1 H1 105.6(4) 1_455 1_455 1_455 no C4 O1 H2 72.7(4) 1_455 1_455 1_455 no C4 O1 H2 72.7(4) 1_455 1_455 1_455 no C4 O1 H3 57.2(3) 1_455 1_455 1_455 no C4 O1 H3 57.1(3) 1_455 1_455 1_455 no C4 O1 H4 30.4(4) 1_455 1_455 1_455 no C4 O1 H5 26.1(6) 1_455 1_455 1_455 no C4 O1 H6 30.8(3) 1_455 1_455 1_455 no C4 O1 H6 30.8(3) 1_455 1_455 1_455 no C4 O1 H7 113.9(3) 1_455 1_455 1_455 no C4 O1 H7 113.9(3) 1_455 1_455 1_455 no C5 O1 C5 134.90(8) 2_647 2_647 2_647 ? C5 O1 C6 73.52(4) 2_647 2_647 2_647 ? C5 O1 C7 108.03(4) 2_647 2_647 2_647 ? C5 O1 C8 84.88(5) 2_647 2_647 2_647 ? C5 O1 C8 125.26(6) 2_647 2_647 2_647 ? C5 O1 H1 93.8(2) 2_647 2_647 2_647 no C5 O1 H1 39.4(3) 2_647 2_647 2_647 no C5 O1 H1 150.3(4) 2_647 2_647 2_647 no C5 O1 H2 141.0(4) 2_647 2_647 2_647 no C5 O1 H2 9.4(4) 2_647 2_647 2_647 no C5 O1 H3 11.8(3) 2_647 2_647 2_647 no C5 O1 H3 124.2(3) 2_647 2_647 2_647 no C5 O1 H4 67.83(5) 2_647 2_647 2_647 no C5 O1 H5 74.6(2) 2_647 2_647 2_647 no C5 O1 H6 64.5(3) 2_647 2_647 2_647 no C5 O1 H6 86.4(3) 2_647 2_647 2_647 no C5 O1 H7 72.0(4) 2_647 2_647 2_647 no C5 O1 H7 141.8(4) 2_647 2_647 2_647 no C5 O1 C6 73.48(4) 2_657 2_657 2_657 ? C5 O1 C7 108.01(4) 2_657 2_657 2_657 ? C5 O1 C8 125.24(6) 2_657 2_657 2_657 ? C5 O1 C8 84.85(5) 2_657 2_657 2_657 ? C5 O1 H1 93.9(2) 2_657 2_657 2_657 no C5 O1 H1 150.3(4) 2_657 2_657 2_657 no C5 O1 H1 39.4(3) 2_657 2_657 2_657 no C5 O1 H2 9.4(4) 2_657 2_657 2_657 no C5 O1 H2 140.9(4) 2_657 2_657 2_657 no C5 O1 H3 124.2(3) 2_657 2_657 2_657 no C5 O1 H3 11.8(3) 2_657 2_657 2_657 no C5 O1 H4 67.83(5) 2_657 2_657 2_657 no C5 O1 H5 74.6(2) 2_657 2_657 2_657 no C5 O1 H6 86.4(3) 2_657 2_657 2_657 no C5 O1 H6 64.5(3) 2_657 2_657 2_657 no C5 O1 H7 141.8(4) 2_657 2_657 2_657 no C5 O1 H7 72.0(4) 2_657 2_657 2_657 no C6 O1 C7 101.57(6) 1_455 1_455 1_455 ? C6 O1 C8 90.73(6) 1_455 1_455 1_455 ? C6 O1 C8 90.71(6) 1_455 1_455 1_455 ? C6 O1 H1 142.3(6) 1_455 1_455 1_455 no C6 O1 H1 112.9(3) 1_455 1_455 1_455 no C6 O1 H1 112.8(3) 1_455 1_455 1_455 no C6 O1 H2 73.6(4) 1_455 1_455 1_455 no C6 O1 H2 73.7(4) 1_455 1_455 1_455 no C6 O1 H3 62.3(3) 1_455 1_455 1_455 no C6 O1 H3 62.3(3) 1_455 1_455 1_455 no C6 O1 H4 52.4(4) 1_455 1_455 1_455 no C6 O1 H5 4.1(6) 1_455 1_455 1_455 no C6 O1 H6 13.3(3) 1_455 1_455 1_455 no C6 O1 H6 13.3(3) 1_455 1_455 1_455 no C6 O1 H7 96.6(3) 1_455 1_455 1_455 no C6 O1 H7 96.6(3) 1_455 1_455 1_455 no C7 O1 C8 23.64(4) . . . ? C7 O1 C8 23.64(4) . . . ? C7 O1 H1 116.1(6) . . . no C7 O1 H1 99.2(4) . . . no C7 O1 H1 99.2(4) . . . no C7 O1 H2 98.7(4) . . . no C7 O1 H2 98.7(4) . . . no C7 O1 H3 112.6(3) . . . no C7 O1 H3 112.6(3) . . . no C7 O1 H4 154.0(4) . . . no C7 O1 H5 97.5(6) . . . no C7 O1 H6 94.7(3) . . . no C7 O1 H6 94.7(3) . . . no C7 O1 H7 36.5(4) . . . no C7 O1 H7 36.5(4) . . . no C8 O1 C8 42.31(7) . . . ? C8 O1 H1 124.0(6) . . . no C8 O1 H1 84.3(4) . . . no C8 O1 H1 122.8(4) . . . no C8 O1 H2 116.0(4) . . . no C8 O1 H2 75.5(4) . . . no C8 O1 H3 89.0(3) . . . no C8 O1 H3 125.7(3) . . . no C8 O1 H4 138.3(3) . . . no C8 O1 H5 86.9(5) . . . no C8 O1 H6 80.4(3) . . . no C8 O1 H6 88.7(3) . . . no C8 O1 H7 16.5(4) . . . no C8 O1 H7 57.9(4) . . . no C8 O1 H1 124.1(6) 4 4 4 no C8 O1 H1 122.8(4) 4 4 4 no C8 O1 H1 84.3(4) 4 4 4 no C8 O1 H2 75.5(4) 4 4 4 no C8 O1 H2 116.0(4) 4 4 4 no C8 O1 H3 125.7(3) 4 4 4 no C8 O1 H3 88.9(3) 4 4 4 no C8 O1 H4 138.3(3) 4 4 4 no C8 O1 H5 86.9(5) 4 4 4 no C8 O1 H6 88.7(3) 4 4 4 no C8 O1 H6 80.4(3) 4 4 4 no C8 O1 H7 57.9(4) 4 4 4 no C8 O1 H7 16.5(4) 4 4 4 no H1 O1 H1 62.9(3) . . . no H1 O1 H1 62.9(3) . . . no H1 O1 H2 99.4(4) . . . no H1 O1 H2 99.4(4) . . . no H1 O1 H3 100.7(5) . . . no H1 O1 H3 100.8(5) . . . no H1 O1 H4 89.9(7) . . . no H1 O1 H5 146.4(9) . . . no H1 O1 H6 147.2(6) . . . no H1 O1 H6 147.2(6) . . . no H1 O1 H7 113.3(6) . . . no H1 O1 H7 113.4(6) . . . no H1 O1 H1 125.5(6) 2_647 2_647 2_647 no H1 O1 H2 159.1(5) 2_647 2_647 2_647 no H1 O1 H2 40.3(5) 2_647 2_647 2_647 no H1 O1 H3 50.7(4) 2_647 2_647 2_647 no H1 O1 H3 148.2(5) 2_647 2_647 2_647 no H1 O1 H4 92.6(5) 2_647 2_647 2_647 no H1 O1 H5 113.9(4) 2_647 2_647 2_647 no H1 O1 H6 103.2(4) 2_647 2_647 2_647 no H1 O1 H6 125.7(5) 2_647 2_647 2_647 no H1 O1 H7 67.8(5) 2_647 2_647 2_647 no H1 O1 H7 132.5(5) 2_647 2_647 2_647 no H1 O1 H2 40.3(5) 2_657 2_657 2_657 no H1 O1 H2 159.1(5) 2_657 2_657 2_657 no H1 O1 H3 148.2(5) 2_657 2_657 2_657 no H1 O1 H3 50.7(4) 2_657 2_657 2_657 no H1 O1 H4 92.6(5) 2_657 2_657 2_657 no H1 O1 H5 113.9(4) 2_657 2_657 2_657 no H1 O1 H6 125.7(5) 2_657 2_657 2_657 no H1 O1 H6 103.2(4) 2_657 2_657 2_657 no H1 O1 H7 132.5(5) 2_657 2_657 2_657 no H1 O1 H7 67.8(5) 2_657 2_657 2_657 no H2 O1 H2 145.3(8) 2_657 2_657 2_657 no H2 O1 H3 129.5(5) 2_657 2_657 2_657 no H2 O1 H3 17.1(5) 2_657 2_657 2_657 no H2 O1 H4 75.6(4) 2_657 2_657 2_657 no H2 O1 H5 74.1(4) 2_657 2_657 2_657 no H2 O1 H6 85.8(5) 2_657 2_657 2_657 no H2 O1 H6 63.0(5) 2_657 2_657 2_657 no H2 O1 H7 132.5(5) 2_657 2_657 2_657 no H2 O1 H7 62.8(5) 2_657 2_657 2_657 no H2 O1 H3 17.1(5) 3_657 3_657 3_657 no H2 O1 H3 129.5(5) 3_657 3_657 3_657 no H2 O1 H4 75.6(4) 3_657 3_657 3_657 no H2 O1 H5 74.1(4) 3_657 3_657 3_657 no H2 O1 H6 63.1(5) 3_657 3_657 3_657 no H2 O1 H6 85.9(5) 3_657 3_657 3_657 no H2 O1 H7 62.9(5) 3_657 3_657 3_657 no H2 O1 H7 132.5(5) 3_657 3_657 3_657 no H3 O1 H3 113.0(6) 2_647 2_647 2_647 no H3 O1 H4 58.8(3) 2_647 2_647 2_647 no H3 O1 H5 63.7(4) 2_647 2_647 2_647 no H3 O1 H6 54.2(4) 2_647 2_647 2_647 no H3 O1 H6 75.4(4) 2_647 2_647 2_647 no H3 O1 H7 78.2(5) 2_647 2_647 2_647 no H3 O1 H7 141.7(5) 2_647 2_647 2_647 no H3 O1 H4 58.8(3) 2_657 2_657 2_657 no H3 O1 H5 63.7(4) 2_657 2_657 2_657 no H3 O1 H6 75.4(4) 2_657 2_657 2_657 no H3 O1 H6 54.2(4) 2_657 2_657 2_657 no H3 O1 H7 141.6(5) 2_657 2_657 2_657 no H3 O1 H7 78.2(5) 2_657 2_657 2_657 no H4 O1 H5 56.5(7) 1_455 1_455 1_455 no H4 O1 H6 59.9(5) 1_455 1_455 1_455 no H4 O1 H6 59.9(5) 1_455 1_455 1_455 no H4 O1 H7 134.6(4) 1_455 1_455 1_455 no H4 O1 H7 134.6(4) 1_455 1_455 1_455 no H5 O1 H6 11.8(3) 1_455 1_455 1_455 no H5 O1 H6 11.8(3) 1_455 1_455 1_455 no H5 O1 H7 93.3(5) 1_455 1_455 1_455 no H5 O1 H7 93.3(5) 1_455 1_455 1_455 no H6 O1 H6 23.0(6) 1_455 1_455 1_455 no H6 O1 H7 84.4(4) 1_455 1_455 1_455 no H6 O1 H7 97.9(4) 1_455 1_455 1_455 no H6 O1 H7 97.9(4) 4_455 4_455 4_455 no H6 O1 H7 84.3(4) 4_455 4_455 4_455 no H7 O1 H7 72.7(8) . . . no CL2 N1 CL2 125.30(5) . . . ? CL2 N1 CL2 115.67(3) . . . ? CL2 N1 O1 81.55(4) . . . ? CL2 N1 O1 57.84(2) . . . ? CL2 N1 O1 163.21(4) . . . ? CL2 N1 N1 47.92(3) . . . ? CL2 N1 N1 161.85(6) . . . ? CL2 N1 N2 63.28(3) . . . ? CL2 N1 C1 70.89(5) . . . ? CL2 N1 C1 59.44(3) . . . ? CL2 N1 C1 175.22(5) . . . ? CL2 N1 C2 85.37(6) . . . ? CL2 N1 C3 72.45(3) . . . ? CL2 N1 C4 64.16(3) . . . ? CL2 N1 C5 100.50(4) . . . ? CL2 N1 C7 65.22(3) . . . ? CL2 N1 H1 116.0(2) . . . no CL2 N1 H1 33.7(5) . . . no CL2 N1 H1 154.0(4) . . . no CL2 N1 H2 93.7(5) . . . no CL2 N1 H2 120.0(5) . . . no CL2 N1 H3 96.2(2) . . . no CL2 N1 H4 75.7(1) . . . no CL2 N1 CL2 115.68(3) 1_565 1_565 1_565 ? CL2 N1 O1 81.51(4) 1_565 1_565 1_565 ? CL2 N1 O1 163.22(4) 1_565 1_565 1_565 ? CL2 N1 O1 57.85(2) 1_565 1_565 1_565 ? CL2 N1 N1 161.85(6) 1_565 1_565 1_565 ? CL2 N1 N1 47.91(3) 1_565 1_565 1_565 ? CL2 N1 N2 63.25(3) 1_565 1_565 1_565 ? CL2 N1 C1 70.85(5) 1_565 1_565 1_565 ? CL2 N1 C1 175.22(5) 1_565 1_565 1_565 ? CL2 N1 C1 59.45(3) 1_565 1_565 1_565 ? CL2 N1 C2 85.40(6) 1_565 1_565 1_565 ? CL2 N1 C3 72.46(3) 1_565 1_565 1_565 ? CL2 N1 C4 64.15(3) 1_565 1_565 1_565 ? CL2 N1 C5 100.54(4) 1_565 1_565 1_565 ? CL2 N1 C7 65.18(3) 1_565 1_565 1_565 ? CL2 N1 H1 116.0(2) 1_565 1_565 1_565 no CL2 N1 H1 154.0(4) 1_565 1_565 1_565 no CL2 N1 H1 33.7(5) 1_565 1_565 1_565 no CL2 N1 H2 120.0(5) 1_565 1_565 1_565 no CL2 N1 H2 93.8(5) 1_565 1_565 1_565 no CL2 N1 H3 96.2(2) 1_565 1_565 1_565 no CL2 N1 H4 75.7(1) 1_565 1_565 1_565 no CL2 N1 O1 89.27(6) 2_657 2_657 2_657 ? CL2 N1 O1 70.08(3) 2_657 2_657 2_657 ? CL2 N1 O1 70.09(3) 2_657 2_657 2_657 ? CL2 N1 N1 67.75(5) 2_657 2_657 2_657 ? CL2 N1 N1 67.77(5) 2_657 2_657 2_657 ? CL2 N1 N2 148.83(6) 2_657 2_657 2_657 ? CL2 N1 C1 116.07(11) 2_657 2_657 2_657 ? CL2 N1 C1 59.70(3) 2_657 2_657 2_657 ? CL2 N1 C1 59.71(3) 2_657 2_657 2_657 ? CL2 N1 C2 119.51(11) 2_657 2_657 2_657 ? CL2 N1 C3 150.44(7) 2_657 2_657 2_657 ? CL2 N1 C4 178.97(6) 2_657 2_657 2_657 ? CL2 N1 C5 86.00(7) 2_657 2_657 2_657 ? CL2 N1 C7 136.50(5) 2_657 2_657 2_657 ? CL2 N1 H1 2.1(14) 2_657 2_657 2_657 no CL2 N1 H1 82.0(5) 2_657 2_657 2_657 no CL2 N1 H1 82.0(5) 2_657 2_657 2_657 no CL2 N1 H2 70.7(4) 2_657 2_657 2_657 no CL2 N1 H2 70.7(4) 2_657 2_657 2_657 no CL2 N1 H3 95.8(4) 2_657 2_657 2_657 no CL2 N1 H4 141.9(3) 2_657 2_657 2_657 no O1 N1 O1 114.90(4) . . . ? O1 N1 O1 114.87(4) . . . ? O1 N1 N1 80.71(5) . . . ? O1 N1 N1 80.67(5) . . . ? O1 N1 N2 59.56(6) . . . ? O1 N1 C1 26.80(9) . . . ? O1 N1 C1 99.25(5) . . . ? O1 N1 C1 99.22(5) . . . ? O1 N1 C2 151.2(1) . . . ? O1 N1 C3 120.29(9) . . . ? O1 N1 C4 89.70(7) . . . ? O1 N1 C5 175.27(10) . . . ? O1 N1 C7 47.23(5) . . . ? O1 N1 H1 91.3(14) . . . no O1 N1 H1 79.7(4) . . . no O1 N1 H1 79.7(4) . . . no O1 N1 H2 155.1(5) . . . no O1 N1 H2 155.1(5) . . . no O1 N1 H3 174.9(4) . . . no O1 N1 H4 128.8(3) . . . no O1 N1 O1 113.97(5) 2_647 2_647 2_647 ? O1 N1 N1 34.19(3) 2_647 2_647 2_647 ? O1 N1 N1 134.65(7) 2_647 2_647 2_647 ? O1 N1 N2 120.78(3) 2_647 2_647 2_647 ? O1 N1 C1 122.13(3) 2_647 2_647 2_647 ? O1 N1 C1 17.60(3) 2_647 2_647 2_647 ? O1 N1 C1 117.88(5) 2_647 2_647 2_647 ? O1 N1 C2 78.32(6) 2_647 2_647 2_647 ? O1 N1 C3 94.97(4) 2_647 2_647 2_647 ? O1 N1 C4 110.39(4) 2_647 2_647 2_647 ? O1 N1 C5 63.37(4) 2_647 2_647 2_647 ? O1 N1 C7 122.69(3) 2_647 2_647 2_647 ? O1 N1 H1 69.2(6) 2_647 2_647 2_647 no O1 N1 H1 37.9(4) 2_647 2_647 2_647 no O1 N1 H1 147.6(5) 2_647 2_647 2_647 no O1 N1 H2 45.1(5) 2_647 2_647 2_647 no O1 N1 H2 72.8(5) 2_647 2_647 2_647 no O1 N1 H3 67.1(2) 2_647 2_647 2_647 no O1 N1 H4 90.3(2) 2_647 2_647 2_647 no O1 N1 N1 134.64(7) 2_657 2_657 2_657 ? O1 N1 N1 34.20(3) 2_657 2_657 2_657 ? O1 N1 N2 120.76(3) 2_657 2_657 2_657 ? O1 N1 C1 122.10(3) 2_657 2_657 2_657 ? O1 N1 C1 117.87(5) 2_657 2_657 2_657 ? O1 N1 C1 17.60(3) 2_657 2_657 2_657 ? O1 N1 C2 78.35(6) 2_657 2_657 2_657 ? O1 N1 C3 94.97(4) 2_657 2_657 2_657 ? O1 N1 C4 110.38(4) 2_657 2_657 2_657 ? O1 N1 C5 63.41(4) 2_657 2_657 2_657 ? O1 N1 C7 122.65(3) 2_657 2_657 2_657 ? O1 N1 H1 69.2(6) 2_657 2_657 2_657 no O1 N1 H1 147.6(5) 2_657 2_657 2_657 no O1 N1 H1 37.9(4) 2_657 2_657 2_657 no O1 N1 H2 72.9(5) 2_657 2_657 2_657 no O1 N1 H2 45.1(5) 2_657 2_657 2_657 no O1 N1 H3 67.1(2) 2_657 2_657 2_657 no O1 N1 H4 90.3(2) 2_657 2_657 2_657 no N1 N1 N1 131.62(9) 2_647 2_647 2_647 ? N1 N1 N2 104.06(5) 2_647 2_647 2_647 ? N1 N1 C1 91.48(6) 2_647 2_647 2_647 ? N1 N1 C1 20.36(4) 2_647 2_647 2_647 ? N1 N1 C1 127.44(7) 2_647 2_647 2_647 ? N1 N1 C2 108.83(5) 2_647 2_647 2_647 ? N1 N1 C3 113.99(5) 2_647 2_647 2_647 ? N1 N1 C4 112.07(5) 2_647 2_647 2_647 ? N1 N1 C5 97.46(5) 2_647 2_647 2_647 ? N1 N1 C7 99.61(5) 2_647 2_647 2_647 ? N1 N1 H1 68.1(3) 2_647 2_647 2_647 no N1 N1 H1 14.2(4) 2_647 2_647 2_647 no N1 N1 H1 143.9(5) 2_647 2_647 2_647 no N1 N1 H2 78.1(5) 2_647 2_647 2_647 no N1 N1 H2 103.9(5) 2_647 2_647 2_647 no N1 N1 H3 101.2(2) 2_647 2_647 2_647 no N1 N1 H4 113.24(6) 2_647 2_647 2_647 no N1 N1 N2 104.02(5) 2_657 2_657 2_657 ? N1 N1 C1 91.43(6) 2_657 2_657 2_657 ? N1 N1 C1 127.45(7) 2_657 2_657 2_657 ? N1 N1 C1 20.37(4) 2_657 2_657 2_657 ? N1 N1 C2 108.86(5) 2_657 2_657 2_657 ? N1 N1 C3 114.00(5) 2_657 2_657 2_657 ? N1 N1 C4 112.05(5) 2_657 2_657 2_657 ? N1 N1 C5 97.50(5) 2_657 2_657 2_657 ? N1 N1 C7 99.57(5) 2_657 2_657 2_657 ? N1 N1 H1 68.1(3) 2_657 2_657 2_657 no N1 N1 H1 143.9(5) 2_657 2_657 2_657 no N1 N1 H1 14.2(4) 2_657 2_657 2_657 no N1 N1 H2 104.0(5) 2_657 2_657 2_657 no N1 N1 H2 78.1(5) 2_657 2_657 2_657 no N1 N1 H3 101.2(2) 2_657 2_657 2_657 no N1 N1 H4 113.25(6) 2_657 2_657 2_657 no N2 N1 C1 32.76(9) . . . ? N2 N1 C1 121.22(3) . . . ? N2 N1 C1 121.19(3) . . . ? N2 N1 C2 91.65(11) . . . ? N2 N1 C3 60.72(7) . . . ? N2 N1 C4 30.13(5) . . . ? N2 N1 C5 125.16(9) . . . ? N2 N1 C7 12.33(4) . . . ? N2 N1 H1 150.9(14) . . . no N2 N1 H1 91.6(4) . . . no N2 N1 H1 91.6(4) . . . no N2 N1 H2 139.0(4) . . . no N2 N1 H2 139.0(4) . . . no N2 N1 H3 115.4(4) . . . no N2 N1 H4 69.3(3) . . . no C1 N1 C1 111.84(5) . . . ? C1 N1 C1 111.80(5) . . . ? C1 N1 C2 124.4(2) . . . ? C1 N1 C3 93.49(12) . . . ? C1 N1 C4 62.90(10) . . . ? C1 N1 C5 157.9(1) . . . ? C1 N1 C7 20.43(9) . . . ? C1 N1 H1 118.1(14) . . . no C1 N1 H1 84.4(4) . . . no C1 N1 H1 84.4(4) . . . no C1 N1 H2 164.6(5) . . . no C1 N1 H2 164.6(5) . . . no C1 N1 H3 148.1(4) . . . no C1 N1 H4 102.0(4) . . . no C1 N1 C1 115.80(6) 2_647 2_647 2_647 ? C1 N1 C2 95.91(6) 2_647 2_647 2_647 ? C1 N1 C3 110.88(4) 2_647 2_647 2_647 ? C1 N1 C4 120.50(3) 2_647 2_647 2_647 ? C1 N1 C5 78.35(5) 2_647 2_647 2_647 ? C1 N1 C7 118.76(3) 2_647 2_647 2_647 ? C1 N1 H1 59.3(3) 2_647 2_647 2_647 no C1 N1 H1 30.0(4) 2_647 2_647 2_647 no C1 N1 H1 141.7(5) 2_647 2_647 2_647 no C1 N1 H2 58.2(5) 2_647 2_647 2_647 no C1 N1 H2 83.6(5) 2_647 2_647 2_647 no C1 N1 H3 83.4(2) 2_647 2_647 2_647 no C1 N1 H4 107.1(2) 2_647 2_647 2_647 no C1 N1 C2 95.94(6) 2_657 2_657 2_657 ? C1 N1 C3 110.89(4) 2_657 2_657 2_657 ? C1 N1 C4 120.49(3) 2_657 2_657 2_657 ? C1 N1 C5 78.38(5) 2_657 2_657 2_657 ? C1 N1 C7 118.72(3) 2_657 2_657 2_657 ? C1 N1 H1 59.3(3) 2_657 2_657 2_657 no C1 N1 H1 141.7(5) 2_657 2_657 2_657 no C1 N1 H1 30.0(4) 2_657 2_657 2_657 no C1 N1 H2 83.6(5) 2_657 2_657 2_657 no C1 N1 H2 58.2(5) 2_657 2_657 2_657 no C1 N1 H3 83.4(2) 2_657 2_657 2_657 no C1 N1 H4 107.1(2) 2_657 2_657 2_657 no C2 N1 C3 30.93(9) . . . ? C2 N1 C4 61.52(10) . . . ? C2 N1 C5 33.51(10) . . . ? C2 N1 C7 103.99(11) . . . ? C2 N1 H1 117.4(14) . . . no C2 N1 H1 102.9(4) . . . no C2 N1 H1 102.9(4) . . . no C2 N1 H2 51.0(4) . . . no C2 N1 H2 51.0(4) . . . no C2 N1 H3 23.7(4) . . . no C2 N1 H4 22.4(3) . . . no C3 N1 C4 30.59(6) . . . ? C3 N1 C5 64.44(8) . . . ? C3 N1 C7 73.05(6) . . . ? C3 N1 H1 148.4(14) . . . no C3 N1 H1 102.1(5) . . . no C3 N1 H1 102.1(5) . . . no C3 N1 H2 80.7(4) . . . no C3 N1 H2 80.7(4) . . . no C3 N1 H3 54.6(4) . . . no C3 N1 H4 8.6(3) . . . no C4 N1 C5 95.03(8) . . . ? C4 N1 C7 42.47(5) . . . ? C4 N1 H1 179.0(14) . . . no C4 N1 H1 97.9(5) . . . no C4 N1 H1 97.8(5) . . . no C4 N1 H2 110.3(4) . . . no C4 N1 H2 110.3(4) . . . no C4 N1 H3 85.2(4) . . . no C4 N1 H4 39.2(3) . . . no C5 N1 C7 137.49(8) . . . ? C5 N1 H1 83.9(14) . . . no C5 N1 H1 99.6(4) . . . no C5 N1 H1 99.6(4) . . . no C5 N1 H2 21.2(5) . . . no C5 N1 H2 21.2(5) . . . no C5 N1 H3 9.8(4) . . . no C5 N1 H4 55.9(3) . . . no C7 N1 H1 138.6(14) . . . no C7 N1 H1 88.8(4) . . . no C7 N1 H1 88.8(4) . . . no C7 N1 H2 150.2(4) . . . no C7 N1 H2 150.2(4) . . . no C7 N1 H3 127.7(4) . . . no C7 N1 H4 81.6(3) . . . no H1 N1 H1 82.3(5) . . . no H1 N1 H1 82.3(5) . . . no H1 N1 H2 68.7(14) . . . no H1 N1 H2 68.7(14) . . . no H1 N1 H3 93.7(14) . . . no H1 N1 H4 139.8(15) . . . no H1 N1 H1 153.9(8) 2_647 2_647 2_647 no H1 N1 H2 82.9(6) 2_647 2_647 2_647 no H1 N1 H2 110.7(6) 2_647 2_647 2_647 no H1 N1 H3 101.0(4) 2_647 2_647 2_647 no H1 N1 H4 102.7(4) 2_647 2_647 2_647 no H1 N1 H2 110.7(6) 2_657 2_657 2_657 no H1 N1 H2 82.9(6) 2_657 2_657 2_657 no H1 N1 H3 101.0(4) 2_657 2_657 2_657 no H1 N1 H4 102.7(4) 2_657 2_657 2_657 no H2 N1 H2 28.4(10) . . . no H2 N1 H3 29.2(6) . . . no H2 N1 H4 72.4(6) . . . no H2 N1 H3 29.2(6) 4 4 4 no H2 N1 H4 72.4(6) 4 4 4 no H3 N1 H4 46.1(6) . . . no CL2 N2 CL2 155.37(5) . . . ? CL2 N2 O1 89.51(3) . . . ? CL2 N2 N1 79.21(3) . . . ? CL2 N2 C1 84.07(3) . . . ? CL2 N2 C2 77.66(3) . . . ? CL2 N2 C3 79.44(3) . . . ? CL2 N2 C4 84.18(3) . . . ? CL2 N2 C6 90.88(3) . . . ? CL2 N2 C7 102.31(3) . . . ? CL2 N2 C8 73.07(5) . . . ? CL2 N2 C8 131.53(6) . . . ? CL2 N2 C9 83.66(4) . . . ? CL2 N2 C9 120.95(5) . . . ? CL2 N2 H1 80.16(6) . . . no CL2 N2 H4 80.40(5) . . . no CL2 N2 H5 88.82(9) . . . no CL2 N2 H6 77.8(4) . . . no CL2 N2 H6 109.6(4) . . . no CL2 N2 H7 51.1(5) . . . no CL2 N2 H7 153.4(5) . . . no CL2 N2 O1 89.50(3) 1_565 1_565 1_565 ? CL2 N2 N1 79.25(3) 1_565 1_565 1_565 ? CL2 N2 C1 84.09(3) 1_565 1_565 1_565 ? CL2 N2 C2 77.71(3) 1_565 1_565 1_565 ? CL2 N2 C3 79.49(3) 1_565 1_565 1_565 ? CL2 N2 C4 84.21(3) 1_565 1_565 1_565 ? CL2 N2 C6 90.88(3) 1_565 1_565 1_565 ? CL2 N2 C7 102.27(3) 1_565 1_565 1_565 ? CL2 N2 C8 131.50(6) 1_565 1_565 1_565 ? CL2 N2 C8 73.04(5) 1_565 1_565 1_565 ? CL2 N2 C9 120.90(5) 1_565 1_565 1_565 ? CL2 N2 C9 83.62(4) 1_565 1_565 1_565 ? CL2 N2 H1 80.19(6) 1_565 1_565 1_565 no CL2 N2 H4 80.44(5) 1_565 1_565 1_565 no CL2 N2 H5 88.83(9) 1_565 1_565 1_565 no CL2 N2 H6 109.6(4) 1_565 1_565 1_565 no CL2 N2 H6 77.8(4) 1_565 1_565 1_565 no CL2 N2 H7 153.4(5) 1_565 1_565 1_565 no CL2 N2 H7 51.1(5) 1_565 1_565 1_565 no O1 N2 N1 58.87(6) . . . ? O1 N2 C1 26.60(8) . . . ? O1 N2 C2 88.45(7) . . . ? O1 N2 C3 118.68(8) . . . ? O1 N2 C4 149.39(12) . . . ? O1 N2 C6 178.18(9) . . . ? O1 N2 C7 88.89(10) . . . ? O1 N2 C8 88.57(7) . . . ? O1 N2 C8 88.57(7) . . . ? O1 N2 C9 88.54(6) . . . ? O1 N2 C9 88.53(6) . . . ? O1 N2 H1 50.8(4) . . . no O1 N2 H4 126.4(3) . . . no O1 N2 H5 172.2(4) . . . no O1 N2 H6 157.8(4) . . . no O1 N2 H6 157.8(4) . . . no O1 N2 H7 88.1(4) . . . no O1 N2 H7 88.1(4) . . . no N1 N2 C1 32.27(8) . . . ? N1 N2 C2 29.58(5) . . . ? N1 N2 C3 59.81(7) . . . ? N1 N2 C4 90.52(10) . . . ? N1 N2 C6 122.95(8) . . . ? N1 N2 C7 147.76(11) . . . ? N1 N2 C8 137.20(7) . . . ? N1 N2 C8 137.21(7) . . . ? N1 N2 C9 142.90(6) . . . ? N1 N2 C9 142.90(6) . . . ? N1 N2 H1 8.0(4) . . . no N1 N2 H4 67.5(3) . . . no N1 N2 H5 113.3(4) . . . no N1 N2 H6 134.0(4) . . . no N1 N2 H6 134.0(4) . . . no N1 N2 H7 121.2(4) . . . no N1 N2 H7 121.3(4) . . . no C1 N2 C2 61.85(9) . . . ? C1 N2 C3 92.08(10) . . . ? C1 N2 C4 122.8(1) . . . ? C1 N2 C6 155.22(12) . . . ? C1 N2 C7 115.49(13) . . . ? C1 N2 C8 111.61(9) . . . ? C1 N2 C8 111.61(9) . . . ? C1 N2 C9 113.66(9) . . . ? C1 N2 C9 113.66(9) . . . ? C1 N2 H1 24.2(4) . . . no C1 N2 H4 99.8(3) . . . no C1 N2 H5 145.6(4) . . . no C1 N2 H6 160.2(4) . . . no C1 N2 H6 160.2(4) . . . no C1 N2 H7 104.5(4) . . . no C1 N2 H7 104.5(4) . . . no C2 N2 C3 30.23(6) . . . ? C2 N2 C4 60.94(9) . . . ? C2 N2 C6 93.37(8) . . . ? C2 N2 C7 177.34(12) . . . ? C2 N2 C8 150.60(4) . . . ? C2 N2 C8 150.61(4) . . . ? C2 N2 C9 161.11(3) . . . ? C2 N2 C9 161.11(3) . . . ? C2 N2 H1 37.6(4) . . . no C2 N2 H4 37.9(3) . . . no C2 N2 H5 83.7(4) . . . no C2 N2 H6 106.1(4) . . . no C2 N2 H6 106.1(4) . . . no C2 N2 H7 128.7(5) . . . no C2 N2 H7 128.7(5) . . . no C3 N2 C4 30.71(9) . . . ? C3 N2 C6 63.14(8) . . . ? C3 N2 C7 152.43(12) . . . ? C3 N2 C8 141.00(6) . . . ? C3 N2 C8 141.01(6) . . . ? C3 N2 C9 147.48(7) . . . ? C3 N2 C9 147.49(7) . . . ? C3 N2 H1 67.8(4) . . . no C3 N2 H4 7.7(3) . . . no C3 N2 H5 53.5(4) . . . no C3 N2 H6 77.1(4) . . . no C3 N2 H6 77.1(4) . . . no C3 N2 H7 124.5(5) . . . no C3 N2 H7 124.5(5) . . . no C4 N2 C6 32.44(10) . . . ? C4 N2 C7 121.7(2) . . . ? C4 N2 C8 117.75(10) . . . ? C4 N2 C8 117.76(10) . . . ? C4 N2 C9 120.28(10) . . . ? C4 N2 C9 120.29(10) . . . ? C4 N2 H1 98.6(4) . . . no C4 N2 H4 23.0(3) . . . no C4 N2 H5 22.8(4) . . . no C4 N2 H6 48.0(4) . . . no C4 N2 H6 48.0(4) . . . no C4 N2 H7 110.4(4) . . . no C4 N2 H7 110.4(4) . . . no C6 N2 C7 89.28(11) . . . ? C6 N2 C8 89.84(8) . . . ? C6 N2 C8 89.84(8) . . . ? C6 N2 C9 89.74(7) . . . ? C6 N2 C9 89.74(7) . . . ? C6 N2 H1 131.0(4) . . . no C6 N2 H4 55.4(3) . . . no C6 N2 H5 9.7(4) . . . no C6 N2 H6 21.0(4) . . . no C6 N2 H6 21.0(4) . . . no C6 N2 H7 90.8(4) . . . no C6 N2 H7 90.8(4) . . . no C7 N2 C8 29.24(4) . . . ? C7 N2 C8 29.23(4) . . . ? C7 N2 C9 18.65(3) . . . ? C7 N2 C9 18.65(3) . . . ? C7 N2 H1 139.7(5) . . . no C7 N2 H4 144.7(4) . . . no C7 N2 H5 98.9(4) . . . no C7 N2 H6 76.4(4) . . . no C7 N2 H6 76.4(4) . . . no C7 N2 H7 51.2(5) . . . no C7 N2 H7 51.2(5) . . . no C8 N2 C8 58.47(9) . . . ? C8 N2 C9 10.60(5) . . . ? C8 N2 C9 47.88(6) . . . ? C8 N2 H1 131.3(3) . . . no C8 N2 H4 135.8(2) . . . no C8 N2 H5 98.3(4) . . . no C8 N2 H6 70.5(4) . . . no C8 N2 H6 86.5(4) . . . no C8 N2 H7 21.9(5) . . . no C8 N2 H7 80.4(5) . . . no C8 N2 C9 47.87(6) 4 4 4 ? C8 N2 C9 10.59(5) 4 4 4 ? C8 N2 H1 131.3(3) 4 4 4 no C8 N2 H4 135.8(2) 4 4 4 no C8 N2 H5 98.3(4) 4 4 4 no C8 N2 H6 86.6(4) 4 4 4 no C8 N2 H6 70.5(4) 4 4 4 no C8 N2 H7 80.4(5) 4 4 4 no C8 N2 H7 21.9(5) 4 4 4 no C9 N2 C9 37.29(6) . . . ? C9 N2 H1 135.9(4) . . . no C9 N2 H4 141.1(3) . . . no C9 N2 H5 98.9(4) . . . no C9 N2 H6 72.2(4) . . . no C9 N2 H6 82.8(4) . . . no C9 N2 H7 32.5(5) . . . no C9 N2 H7 69.8(5) . . . no C9 N2 H1 135.9(4) 4 4 4 no C9 N2 H4 141.1(3) 4 4 4 no C9 N2 H5 98.9(4) 4 4 4 no C9 N2 H6 82.8(4) 4 4 4 no C9 N2 H6 72.2(4) 4 4 4 no C9 N2 H7 69.8(5) 4 4 4 no C9 N2 H7 32.5(5) 4 4 4 no H1 N2 H4 75.5(5) . . . no H1 N2 H5 121.3(6) . . . no H1 N2 H6 141.3(5) . . . no H1 N2 H6 141.3(5) . . . no H1 N2 H7 117.7(5) . . . no H1 N2 H7 117.7(5) . . . no H4 N2 H5 45.8(5) . . . no H4 N2 H6 69.7(5) . . . no H4 N2 H6 69.8(5) . . . no H4 N2 H7 121.6(5) . . . no H4 N2 H7 121.7(5) . . . no H5 N2 H6 28.0(5) . . . no H5 N2 H6 28.0(5) . . . no H5 N2 H7 96.8(5) . . . no H5 N2 H7 96.8(5) . . . no H6 N2 H6 32.5(9) . . . no H6 N2 H7 69.8(6) . . . no H6 N2 H7 95.3(6) . . . no H6 N2 H7 95.3(6) 4 4 4 no H6 N2 H7 69.8(6) 4 4 4 no H7 N2 H7 102.3(9) . . . no CL2 C1 CL2 139.90(6) . . . ? CL2 C1 CL2 102.31(3) . . . ? CL2 C1 O1 107.97(4) . . . ? CL2 C1 N1 87.72(5) . . . ? CL2 C1 N1 47.07(3) . . . ? CL2 C1 N1 155.57(5) . . . ? CL2 C1 N2 73.03(4) . . . ? CL2 C1 C2 78.90(4) . . . ? CL2 C1 C3 72.10(3) . . . ? CL2 C1 C4 69.98(3) . . . ? CL2 C1 C5 83.01(4) . . . ? CL2 C1 C6 70.74(3) . . . ? CL2 C1 C7 81.60(4) . . . ? CL2 C1 C8 63.45(4) . . . ? CL2 C1 C8 104.33(6) . . . ? CL2 C1 H1 95.8(2) . . . no CL2 C1 H1 34.4(4) . . . no CL2 C1 H1 159.2(4) . . . no CL2 C1 H2 77.6(3) . . . no CL2 C1 H2 95.1(3) . . . no CL2 C1 H2 159.6(3) . . . no CL2 C1 H2 56.1(3) . . . no CL2 C1 H4 72.17(6) . . . no CL2 C1 H4 110.05(3) . . . no CL2 C1 H5 105.64(9) . . . no CL2 C1 H6 61.2(3) . . . no CL2 C1 H6 82.4(3) . . . no CL2 C1 H7 46.6(4) . . . no CL2 C1 H7 118.9(4) . . . no CL2 C1 CL2 102.34(3) 1_565 1_565 1_565 ? CL2 C1 O1 107.94(4) 1_565 1_565 1_565 ? CL2 C1 N1 87.76(5) 1_565 1_565 1_565 ? CL2 C1 N1 155.58(5) 1_565 1_565 1_565 ? CL2 C1 N1 47.08(3) 1_565 1_565 1_565 ? CL2 C1 N2 73.01(4) 1_565 1_565 1_565 ? CL2 C1 C2 78.94(4) 1_565 1_565 1_565 ? CL2 C1 C3 72.13(3) 1_565 1_565 1_565 ? CL2 C1 C4 69.99(3) 1_565 1_565 1_565 ? CL2 C1 C5 83.06(4) 1_565 1_565 1_565 ? CL2 C1 C6 70.73(3) 1_565 1_565 1_565 ? CL2 C1 C7 81.56(4) 1_565 1_565 1_565 ? CL2 C1 C8 104.29(6) 1_565 1_565 1_565 ? CL2 C1 C8 63.41(4) 1_565 1_565 1_565 ? CL2 C1 H1 95.9(2) 1_565 1_565 1_565 no CL2 C1 H1 159.2(4) 1_565 1_565 1_565 no CL2 C1 H1 34.5(4) 1_565 1_565 1_565 no CL2 C1 H2 95.2(3) 1_565 1_565 1_565 no CL2 C1 H2 77.7(3) 1_565 1_565 1_565 no CL2 C1 H2 56.1(3) 1_565 1_565 1_565 no CL2 C1 H2 159.6(3) 1_565 1_565 1_565 no CL2 C1 H4 72.20(6) 1_565 1_565 1_565 no CL2 C1 H4 110.04(3) 1_565 1_565 1_565 no CL2 C1 H5 105.60(9) 1_565 1_565 1_565 no CL2 C1 H6 82.4(3) 1_565 1_565 1_565 no CL2 C1 H6 61.2(3) 1_565 1_565 1_565 no CL2 C1 H7 118.9(4) 1_565 1_565 1_565 no CL2 C1 H7 46.6(4) 1_565 1_565 1_565 no CL2 C1 O1 77.41(11) 2_657 2_657 2_657 ? CL2 C1 N1 45.11(9) 2_657 2_657 2_657 ? CL2 C1 N1 57.89(3) 2_657 2_657 2_657 ? CL2 C1 N1 57.91(3) 2_657 2_657 2_657 ? CL2 C1 N2 160.08(10) 2_657 2_657 2_657 ? CL2 C1 C2 72.60(6) 2_657 2_657 2_657 ? CL2 C1 C3 102.14(6) 2_657 2_657 2_657 ? CL2 C1 C4 131.83(7) 2_657 2_657 2_657 ? CL2 C1 C5 59.22(5) 2_657 2_657 2_657 ? CL2 C1 C6 144.25(6) 2_657 2_657 2_657 ? CL2 C1 C7 166.77(7) 2_657 2_657 2_657 ? CL2 C1 C8 150.69(5) 2_657 2_657 2_657 ? CL2 C1 C8 150.69(5) 2_657 2_657 2_657 ? CL2 C1 H1 21.2(7) 2_657 2_657 2_657 no CL2 C1 H1 69.9(4) 2_657 2_657 2_657 no CL2 C1 H1 69.9(4) 2_657 2_657 2_657 no CL2 C1 H2 49.7(3) 2_657 2_657 2_657 no CL2 C1 H2 49.7(3) 2_657 2_657 2_657 no CL2 C1 H2 81.4(3) 2_657 2_657 2_657 no CL2 C1 H2 81.3(3) 2_657 2_657 2_657 no CL2 C1 H4 101.7(3) 2_657 2_657 2_657 no CL2 C1 H4 50.7(3) 2_657 2_657 2_657 no CL2 C1 H5 89.7(4) 2_657 2_657 2_657 no CL2 C1 H6 150.8(3) 2_657 2_657 2_657 no CL2 C1 H6 150.8(3) 2_657 2_657 2_657 no CL2 C1 H7 138.7(4) 2_657 2_657 2_657 no CL2 C1 H7 138.7(4) 2_657 2_657 2_657 no O1 C1 N1 122.5(2) . . . ? O1 C1 N1 83.10(7) . . . ? O1 C1 N1 83.07(7) . . . ? O1 C1 N2 122.5(2) . . . ? O1 C1 C2 150.0(2) . . . ? O1 C1 C3 179.5(2) . . . ? O1 C1 C4 150.8(2) . . . ? O1 C1 C5 136.6(1) . . . ? O1 C1 C6 138.33(13) . . . ? O1 C1 C7 89.35(12) . . . ? O1 C1 C8 82.93(11) . . . ? O1 C1 C8 82.92(11) . . . ? O1 C1 H1 98.6(7) . . . no O1 C1 H1 89.5(4) . . . no O1 C1 H1 89.5(4) . . . no O1 C1 H2 125.9(3) . . . no O1 C1 H2 125.9(3) . . . no O1 C1 H2 52.8(4) . . . no O1 C1 H2 52.8(4) . . . no O1 C1 H4 179.1(3) . . . no O1 C1 H4 26.7(3) . . . no O1 C1 H5 12.3(4) . . . no O1 C1 H6 129.0(3) . . . no O1 C1 H6 129.0(3) . . . no O1 C1 H7 87.2(3) . . . no O1 C1 H7 87.2(3) . . . no N1 C1 N1 68.16(5) . . . ? N1 C1 N1 68.20(5) . . . ? N1 C1 N2 115.0(1) . . . ? N1 C1 C2 27.49(9) . . . ? N1 C1 C3 57.02(9) . . . ? N1 C1 C4 86.71(11) . . . ? N1 C1 C5 14.11(9) . . . ? N1 C1 C6 99.14(11) . . . ? N1 C1 C7 148.12(13) . . . ? N1 C1 C8 147.42(9) . . . ? N1 C1 C8 147.44(9) . . . ? N1 C1 H1 24.0(7) . . . no N1 C1 H1 73.1(3) . . . no N1 C1 H1 73.1(3) . . . no N1 C1 H2 10.1(3) . . . no N1 C1 H2 10.1(3) . . . no N1 C1 H2 108.0(3) . . . no N1 C1 H2 108.0(3) . . . no N1 C1 H4 56.6(3) . . . no N1 C1 H4 95.8(3) . . . no N1 C1 H5 134.9(4) . . . no N1 C1 H6 107.3(3) . . . no N1 C1 H6 107.3(3) . . . no N1 C1 H7 133.2(4) . . . no N1 C1 H7 133.2(4) . . . no N1 C1 N1 115.80(6) 2_647 2_647 2_647 ? N1 C1 N2 120.08(4) 2_647 2_647 2_647 ? N1 C1 C2 81.10(5) 2_647 2_647 2_647 ? N1 C1 C3 96.67(4) 2_647 2_647 2_647 ? N1 C1 C4 110.96(4) 2_647 2_647 2_647 ? N1 C1 C5 74.44(4) 2_647 2_647 2_647 ? N1 C1 C6 115.72(4) 2_647 2_647 2_647 ? N1 C1 C7 121.09(3) 2_647 2_647 2_647 ? N1 C1 C8 98.56(4) 2_647 2_647 2_647 ? N1 C1 C8 140.82(5) 2_647 2_647 2_647 ? N1 C1 H1 60.4(2) 2_647 2_647 2_647 no N1 C1 H1 12.6(4) 2_647 2_647 2_647 no N1 C1 H1 127.7(4) 2_647 2_647 2_647 no N1 C1 H2 61.5(3) 2_647 2_647 2_647 no N1 C1 H2 78.3(3) 2_647 2_647 2_647 no N1 C1 H2 126.3(3) 2_647 2_647 2_647 no N1 C1 H2 40.8(3) 2_647 2_647 2_647 no N1 C1 H4 96.4(2) 2_647 2_647 2_647 no N1 C1 H4 70.12(12) 2_647 2_647 2_647 no N1 C1 H5 89.6(2) 2_647 2_647 2_647 no N1 C1 H6 108.0(3) 2_647 2_647 2_647 no N1 C1 H6 128.6(3) 2_647 2_647 2_647 no N1 C1 H7 82.5(4) 2_647 2_647 2_647 no N1 C1 H7 157.8(4) 2_647 2_647 2_647 no N1 C1 N2 120.07(4) 2_657 2_657 2_657 ? N1 C1 C2 81.14(5) 2_657 2_657 2_657 ? N1 C1 C3 96.69(4) 2_657 2_657 2_657 ? N1 C1 C4 110.98(4) 2_657 2_657 2_657 ? N1 C1 C5 74.48(4) 2_657 2_657 2_657 ? N1 C1 C6 115.72(4) 2_657 2_657 2_657 ? N1 C1 C7 121.06(3) 2_657 2_657 2_657 ? N1 C1 C8 140.79(5) 2_657 2_657 2_657 ? N1 C1 C8 98.54(4) 2_657 2_657 2_657 ? N1 C1 H1 60.4(2) 2_657 2_657 2_657 no N1 C1 H1 127.7(4) 2_657 2_657 2_657 no N1 C1 H1 12.6(4) 2_657 2_657 2_657 no N1 C1 H2 78.3(3) 2_657 2_657 2_657 no N1 C1 H2 61.5(3) 2_657 2_657 2_657 no N1 C1 H2 40.8(3) 2_657 2_657 2_657 no N1 C1 H2 126.3(3) 2_657 2_657 2_657 no N1 C1 H4 96.5(2) 2_657 2_657 2_657 no N1 C1 H4 70.10(12) 2_657 2_657 2_657 no N1 C1 H5 89.6(2) 2_657 2_657 2_657 no N1 C1 H6 128.6(3) 2_657 2_657 2_657 no N1 C1 H6 108.0(3) 2_657 2_657 2_657 no N1 C1 H7 157.8(4) 2_657 2_657 2_657 no N1 C1 H7 82.5(4) 2_657 2_657 2_657 no N2 C1 C2 87.48(10) . . . ? N2 C1 C3 57.95(9) . . . ? N2 C1 C4 28.25(8) . . . ? N2 C1 C5 100.86(10) . . . ? N2 C1 C6 15.83(8) . . . ? N2 C1 C7 33.15(8) . . . ? N2 C1 C8 44.72(7) . . . ? N2 C1 C8 44.73(7) . . . ? N2 C1 H1 138.9(7) . . . no N2 C1 H1 107.5(4) . . . no N2 C1 H1 107.5(4) . . . no N2 C1 H2 110.7(3) . . . no N2 C1 H2 110.7(3) . . . no N2 C1 H2 109.9(3) . . . no N2 C1 H2 110.0(3) . . . no N2 C1 H4 58.4(3) . . . no N2 C1 H4 149.2(3) . . . no N2 C1 H5 110.2(4) . . . no N2 C1 H6 13.0(3) . . . no N2 C1 H6 13.0(3) . . . no N2 C1 H7 50.8(4) . . . no N2 C1 H7 50.8(4) . . . no C2 C1 C3 29.53(6) . . . ? C2 C1 C4 59.23(7) . . . ? C2 C1 C5 13.38(6) . . . ? C2 C1 C6 71.65(7) . . . ? C2 C1 C7 120.63(9) . . . ? C2 C1 C8 124.53(8) . . . ? C2 C1 C8 124.54(8) . . . ? C2 C1 H1 51.4(7) . . . no C2 C1 H1 80.3(4) . . . no C2 C1 H1 80.4(4) . . . no C2 C1 H2 25.2(3) . . . no C2 C1 H2 25.2(3) . . . no C2 C1 H2 121.0(3) . . . no C2 C1 H2 121.0(3) . . . no C2 C1 H4 29.1(3) . . . no C2 C1 H4 123.3(3) . . . no C2 C1 H5 162.3(4) . . . no C2 C1 H6 80.3(3) . . . no C2 C1 H6 80.3(3) . . . no C2 C1 H7 115.6(3) . . . no C2 C1 H7 115.6(3) . . . no C3 C1 C4 29.69(6) . . . ? C3 C1 C5 42.91(6) . . . ? C3 C1 C6 42.12(6) . . . ? C3 C1 C7 91.10(8) . . . ? C3 C1 C8 97.49(7) . . . ? C3 C1 C8 97.50(7) . . . ? C3 C1 H1 81.0(7) . . . no C3 C1 H1 90.3(4) . . . no C3 C1 H1 90.3(4) . . . no C3 C1 H2 53.6(3) . . . no C3 C1 H2 53.6(3) . . . no C3 C1 H2 127.2(4) . . . no C3 C1 H2 127.2(4) . . . no C3 C1 H4 0.4(3) . . . no C3 C1 H4 152.8(3) . . . no C3 C1 H5 168.1(4) . . . no C3 C1 H6 51.4(3) . . . no C3 C1 H6 51.4(3) . . . no C3 C1 H7 93.1(3) . . . no C3 C1 H7 93.2(3) . . . no C4 C1 C5 72.61(7) . . . ? C4 C1 C6 12.43(5) . . . ? C4 C1 C7 61.40(7) . . . ? C4 C1 C8 69.97(7) . . . ? C4 C1 C8 69.98(7) . . . ? C4 C1 H1 110.7(7) . . . no C4 C1 H1 100.3(4) . . . no C4 C1 H1 100.3(4) . . . no C4 C1 H2 82.9(3) . . . no C4 C1 H2 82.9(3) . . . no C4 C1 H2 122.5(3) . . . no C4 C1 H2 122.5(3) . . . no C4 C1 H4 30.1(3) . . . no C4 C1 H4 177.5(3) . . . no C4 C1 H5 138.4(4) . . . no C4 C1 H6 23.4(3) . . . no C4 C1 H6 23.4(3) . . . no C4 C1 H7 70.2(3) . . . no C4 C1 H7 70.2(3) . . . no C5 C1 C6 85.03(6) . . . ? C5 C1 C7 134.01(8) . . . ? C5 C1 C8 136.21(7) . . . ? C5 C1 C8 136.22(7) . . . ? C5 C1 H1 38.1(7) . . . no C5 C1 H1 76.4(4) . . . no C5 C1 H1 76.5(4) . . . no C5 C1 H2 13.7(3) . . . no C5 C1 H2 13.7(3) . . . no C5 C1 H2 115.3(3) . . . no C5 C1 H2 115.2(3) . . . no C5 C1 H4 42.5(3) . . . no C5 C1 H4 109.9(3) . . . no C5 C1 H5 149.0(4) . . . no C5 C1 H6 93.4(3) . . . no C5 C1 H6 93.5(3) . . . no C5 C1 H7 124.8(4) . . . no C5 C1 H7 124.9(4) . . . no C6 C1 C7 48.98(6) . . . ? C6 C1 C8 58.65(6) . . . ? C6 C1 C8 58.66(6) . . . ? C6 C1 H1 123.1(7) . . . no C6 C1 H1 103.8(4) . . . no C6 C1 H1 103.8(4) . . . no C6 C1 H2 95.1(3) . . . no C6 C1 H2 95.1(3) . . . no C6 C1 H2 117.7(3) . . . no C6 C1 H2 117.7(3) . . . no C6 C1 H4 42.6(3) . . . no C6 C1 H4 165.0(3) . . . no C6 C1 H5 126.0(4) . . . no C6 C1 H6 13.6(3) . . . no C6 C1 H6 13.7(3) . . . no C6 C1 H7 61.1(3) . . . no C6 C1 H7 61.2(3) . . . no C7 C1 C8 22.74(4) . . . ? C7 C1 C8 22.73(4) . . . ? C7 C1 H1 172.1(7) . . . no C7 C1 H1 110.5(4) . . . no C7 C1 H1 110.5(4) . . . no C7 C1 H2 143.1(3) . . . no C7 C1 H2 143.1(3) . . . no C7 C1 H2 90.7(3) . . . no C7 C1 H2 90.7(3) . . . no C7 C1 H4 91.5(3) . . . no C7 C1 H4 116.1(3) . . . no C7 C1 H5 77.0(4) . . . no C7 C1 H6 41.7(3) . . . no C7 C1 H6 41.7(3) . . . no C7 C1 H7 38.7(4) . . . no C7 C1 H7 38.6(4) . . . no C8 C1 C8 43.39(7) . . . ? C8 C1 H1 158.28(5) . . . no C8 C1 H1 88.6(4) . . . no C8 C1 H1 131.9(4) . . . no C8 C1 H2 138.0(3) . . . no C8 C1 H2 149.6(3) . . . no C8 C1 H2 103.7(3) . . . no C8 C1 H2 69.5(3) . . . no C8 C1 H4 97.9(3) . . . no C8 C1 H4 107.7(3) . . . no C8 C1 H5 71.5(4) . . . no C8 C1 H6 46.7(3) . . . no C8 C1 H6 56.8(3) . . . no C8 C1 H7 17.2(4) . . . no C8 C1 H7 60.4(4) . . . no C8 C1 H1 158.29(5) 4 4 4 no C8 C1 H1 131.9(4) 4 4 4 no C8 C1 H1 88.6(4) 4 4 4 no C8 C1 H2 149.6(3) 4 4 4 no C8 C1 H2 138.0(3) 4 4 4 no C8 C1 H2 69.4(3) 4 4 4 no C8 C1 H2 103.7(3) 4 4 4 no C8 C1 H4 97.9(3) 4 4 4 no C8 C1 H4 107.7(3) 4 4 4 no C8 C1 H5 71.5(4) 4 4 4 no C8 C1 H6 56.8(3) 4 4 4 no C8 C1 H6 46.7(3) 4 4 4 no C8 C1 H7 60.4(4) 4 4 4 no C8 C1 H7 17.2(4) 4 4 4 no H1 C1 H1 69.8(4) . . . no H1 C1 H1 69.8(4) . . . no H1 C1 H2 29.3(7) . . . no H1 C1 H2 29.3(7) . . . no H1 C1 H2 94.1(6) . . . no H1 C1 H2 94.1(6) . . . no H1 C1 H4 80.5(8) . . . no H1 C1 H4 71.9(8) . . . no H1 C1 H5 110.9(8) . . . no H1 C1 H6 130.7(7) . . . no H1 C1 H6 130.7(7) . . . no H1 C1 H7 141.2(4) . . . no H1 C1 H7 141.2(4) . . . no H1 C1 H1 139.0(8) 2_647 2_647 2_647 no H1 C1 H2 64.9(5) 2_647 2_647 2_647 no H1 C1 H2 83.0(5) 2_647 2_647 2_647 no H1 C1 H2 137.2(5) 2_647 2_647 2_647 no H1 C1 H2 40.8(5) 2_647 2_647 2_647 no H1 C1 H4 90.2(4) 2_647 2_647 2_647 no H1 C1 H4 80.5(4) 2_647 2_647 2_647 no H1 C1 H5 93.8(4) 2_647 2_647 2_647 no H1 C1 H6 95.5(5) 2_647 2_647 2_647 no H1 C1 H6 116.4(5) 2_647 2_647 2_647 no H1 C1 H7 71.9(5) 2_647 2_647 2_647 no H1 C1 H7 149.0(6) 2_647 2_647 2_647 no H1 C1 H2 83.0(5) 2_657 2_657 2_657 no H1 C1 H2 64.9(5) 2_657 2_657 2_657 no H1 C1 H2 40.8(5) 2_657 2_657 2_657 no H1 C1 H2 137.2(5) 2_657 2_657 2_657 no H1 C1 H4 90.2(4) 2_657 2_657 2_657 no H1 C1 H4 80.5(4) 2_657 2_657 2_657 no H1 C1 H5 93.8(4) 2_657 2_657 2_657 no H1 C1 H6 116.4(5) 2_657 2_657 2_657 no H1 C1 H6 95.5(5) 2_657 2_657 2_657 no H1 C1 H7 148.9(6) 2_657 2_657 2_657 no H1 C1 H7 71.9(5) 2_657 2_657 2_657 no H2 C1 H2 18.6(7) . . . no H2 C1 H2 118.0(5) . . . no H2 C1 H2 102.2(4) . . . no H2 C1 H4 53.2(4) . . . no H2 C1 H4 99.6(4) . . . no H2 C1 H5 138.0(5) . . . no H2 C1 H6 101.5(4) . . . no H2 C1 H6 105.0(4) . . . no H2 C1 H7 123.2(5) . . . no H2 C1 H7 138.5(5) . . . no H2 C1 H2 102.2(4) 4 4 4 no H2 C1 H2 117.9(5) 4 4 4 no H2 C1 H4 53.2(4) 4 4 4 no H2 C1 H4 99.6(4) 4 4 4 no H2 C1 H5 138.0(5) 4 4 4 no H2 C1 H6 105.0(4) 4 4 4 no H2 C1 H6 101.5(4) 4 4 4 no H2 C1 H7 138.5(5) 4 4 4 no H2 C1 H7 123.2(5) 4 4 4 no H2 C1 H2 105.5(7) 2_657 2_657 2_657 no H2 C1 H4 127.2(4) 2_657 2_657 2_657 no H2 C1 H4 56.7(3) 2_657 2_657 2_657 no H2 C1 H5 54.0(4) 2_657 2_657 2_657 no H2 C1 H6 122.9(4) 2_657 2_657 2_657 no H2 C1 H6 104.3(4) 2_657 2_657 2_657 no H2 C1 H7 118.8(5) 2_657 2_657 2_657 no H2 C1 H7 59.3(5) 2_657 2_657 2_657 no H2 C1 H4 127.2(4) 3_657 3_657 3_657 no H2 C1 H4 56.7(3) 3_657 3_657 3_657 no H2 C1 H5 54.1(4) 3_657 3_657 3_657 no H2 C1 H6 104.3(4) 3_657 3_657 3_657 no H2 C1 H6 122.9(4) 3_657 3_657 3_657 no H2 C1 H7 59.3(5) 3_657 3_657 3_657 no H2 C1 H7 118.8(5) 3_657 3_657 3_657 no H4 C1 H4 152.4(5) . . . no H4 C1 H5 168.6(5) . . . no H4 C1 H6 51.8(4) . . . no H4 C1 H6 51.8(4) . . . no H4 C1 H7 93.5(4) . . . no H4 C1 H7 93.5(4) . . . no H4 C1 H5 39.0(5) 1_455 1_455 1_455 no H4 C1 H6 154.4(4) 1_455 1_455 1_455 no H4 C1 H6 154.4(4) 1_455 1_455 1_455 no H4 C1 H7 107.9(4) 1_455 1_455 1_455 no H4 C1 H7 107.9(4) 1_455 1_455 1_455 no H5 C1 H6 117.0(4) 1_455 1_455 1_455 no H5 C1 H6 117.0(4) 1_455 1_455 1_455 no H5 C1 H7 77.6(4) 1_455 1_455 1_455 no H5 C1 H7 77.6(4) 1_455 1_455 1_455 no H6 C1 H6 21.5(6) . . . no H6 C1 H7 47.6(4) . . . no H6 C1 H7 63.8(5) . . . no H6 C1 H7 63.8(5) 4 4 4 no H6 C1 H7 47.6(4) 4 4 4 no H7 C1 H7 77.1(8) . . . no CL2 C2 CL2 118.30(4) . . . ? CL2 C2 CL2 95.78(3) . . . ? CL2 C2 O1 67.01(3) . . . ? CL2 C2 O1 57.24(2) . . . ? CL2 C2 O1 156.22(5) . . . ? CL2 C2 N1 74.46(5) . . . ? CL2 C2 N2 59.17(3) . . . ? CL2 C2 C1 63.76(3) . . . ? CL2 C2 C3 75.29(5) . . . ? CL2 C2 C4 63.71(3) . . . ? CL2 C2 C5 120.71(3) . . . ? CL2 C2 C6 67.10(3) . . . ? CL2 C2 H1 86.4(4) . . . no CL2 C2 H1 31.2(4) . . . no CL2 C2 H1 126.5(3) . . . no CL2 C2 H2 100.5(6) . . . no CL2 C2 H2 135.8(6) . . . no CL2 C2 H3 118.98(13) . . . no CL2 C2 H4 87.0(3) . . . no CL2 C2 H4 51.1(3) . . . no CL2 C2 H4 155.8(3) . . . no CL2 C2 H5 72.3(2) . . . no CL2 C2 CL2 95.78(3) 1_565 1_565 1_565 ? CL2 C2 O1 66.98(3) 1_565 1_565 1_565 ? CL2 C2 O1 156.23(5) 1_565 1_565 1_565 ? CL2 C2 O1 57.24(2) 1_565 1_565 1_565 ? CL2 C2 N1 74.44(5) 1_565 1_565 1_565 ? CL2 C2 N2 59.13(3) 1_565 1_565 1_565 ? CL2 C2 C1 63.73(3) 1_565 1_565 1_565 ? CL2 C2 C3 75.28(5) 1_565 1_565 1_565 ? CL2 C2 C4 63.68(3) 1_565 1_565 1_565 ? CL2 C2 C5 120.74(3) 1_565 1_565 1_565 ? CL2 C2 C6 67.08(3) 1_565 1_565 1_565 ? CL2 C2 H1 86.4(4) 1_565 1_565 1_565 no CL2 C2 H1 126.5(3) 1_565 1_565 1_565 no CL2 C2 H1 31.2(4) 1_565 1_565 1_565 no CL2 C2 H2 135.8(6) 1_565 1_565 1_565 no CL2 C2 H2 100.5(6) 1_565 1_565 1_565 no CL2 C2 H3 119.02(13) 1_565 1_565 1_565 no CL2 C2 H4 87.0(3) 1_565 1_565 1_565 no CL2 C2 H4 155.8(3) 1_565 1_565 1_565 no CL2 C2 H4 51.1(3) 1_565 1_565 1_565 no CL2 C2 H5 72.3(2) 1_565 1_565 1_565 no CL2 C2 O1 60.97(4) 2_657 2_657 2_657 ? CL2 C2 O1 63.36(3) 2_657 2_657 2_657 ? CL2 C2 O1 63.36(3) 2_657 2_657 2_657 ? CL2 C2 N1 42.83(9) 2_657 2_657 2_657 ? CL2 C2 N2 101.60(6) 2_657 2_657 2_657 ? CL2 C2 C1 70.93(6) 2_657 2_657 2_657 ? CL2 C2 C3 161.63(11) 2_657 2_657 2_657 ? CL2 C2 C4 131.54(7) 2_657 2_657 2_657 ? CL2 C2 C5 73.77(11) 2_657 2_657 2_657 ? CL2 C2 C6 141.92(6) 2_657 2_657 2_657 ? CL2 C2 H1 18.3(7) 2_657 2_657 2_657 no CL2 C2 H1 65.7(4) 2_657 2_657 2_657 no CL2 C2 H1 65.7(4) 2_657 2_657 2_657 no CL2 C2 H2 57.9(5) 2_657 2_657 2_657 no CL2 C2 H2 57.9(5) 2_657 2_657 2_657 no CL2 C2 H3 97.7(7) 2_657 2_657 2_657 no CL2 C2 H4 174.6(5) 2_657 2_657 2_657 no CL2 C2 H4 106.5(3) 2_657 2_657 2_657 no CL2 C2 H4 106.5(3) 2_657 2_657 2_657 no CL2 C2 H5 154.9(4) 2_657 2_657 2_657 no O1 C2 O1 91.68(4) . . . ? O1 C2 O1 91.65(4) . . . ? O1 C2 N1 18.14(9) . . . ? O1 C2 N2 40.63(4) . . . ? O1 C2 C1 9.95(5) . . . ? O1 C2 C3 100.65(10) . . . ? O1 C2 C4 70.57(6) . . . ? O1 C2 C5 134.75(12) . . . ? O1 C2 C6 80.95(5) . . . ? O1 C2 H1 42.7(7) . . . no O1 C2 H1 60.1(3) . . . no O1 C2 H1 60.1(3) . . . no O1 C2 H2 115.5(5) . . . no O1 C2 H2 115.5(5) . . . no O1 C2 H3 158.7(7) . . . no O1 C2 H4 124.4(5) . . . no O1 C2 H4 115.8(3) . . . no O1 C2 H4 115.7(3) . . . no O1 C2 H5 93.9(4) . . . no O1 C2 O1 116.02(6) 2_647 2_647 2_647 ? O1 C2 N1 82.14(6) 2_647 2_647 2_647 ? O1 C2 N2 111.52(4) 2_647 2_647 2_647 ? O1 C2 C1 96.91(5) 2_647 2_647 2_647 ? O1 C2 C3 120.97(3) 2_647 2_647 2_647 ? O1 C2 C4 120.58(3) 2_647 2_647 2_647 ? O1 C2 C5 66.64(5) 2_647 2_647 2_647 ? O1 C2 C6 121.81(3) 2_647 2_647 2_647 ? O1 C2 H1 70.3(3) 2_647 2_647 2_647 no O1 C2 H1 36.4(3) 2_647 2_647 2_647 no O1 C2 H1 128.9(4) 2_647 2_647 2_647 no O1 C2 H2 43.5(6) 2_647 2_647 2_647 no O1 C2 H2 78.7(6) 2_647 2_647 2_647 no O1 C2 H3 77.3(3) 2_647 2_647 2_647 no O1 C2 H4 114.8(2) 2_647 2_647 2_647 no O1 C2 H4 43.2(3) 2_647 2_647 2_647 no O1 C2 H4 142.4(3) 2_647 2_647 2_647 no O1 C2 H5 121.72(4) 2_647 2_647 2_647 no O1 C2 N1 82.11(6) 2_657 2_657 2_657 ? O1 C2 N2 111.48(4) 2_657 2_657 2_657 ? O1 C2 C1 96.88(5) 2_657 2_657 2_657 ? O1 C2 C3 120.96(3) 2_657 2_657 2_657 ? O1 C2 C4 120.55(3) 2_657 2_657 2_657 ? O1 C2 C5 66.68(5) 2_657 2_657 2_657 ? O1 C2 C6 121.79(3) 2_657 2_657 2_657 ? O1 C2 H1 70.3(3) 2_657 2_657 2_657 no O1 C2 H1 128.9(4) 2_657 2_657 2_657 no O1 C2 H1 36.4(3) 2_657 2_657 2_657 no O1 C2 H2 78.7(6) 2_657 2_657 2_657 no O1 C2 H2 43.5(6) 2_657 2_657 2_657 no O1 C2 H3 77.3(3) 2_657 2_657 2_657 no O1 C2 H4 114.8(2) 2_657 2_657 2_657 no O1 C2 H4 142.4(3) 2_657 2_657 2_657 no O1 C2 H4 43.2(3) 2_657 2_657 2_657 no O1 C2 H5 121.71(4) 2_657 2_657 2_657 no N1 C2 N2 58.77(9) . . . ? N1 C2 C1 28.09(9) . . . ? N1 C2 C3 118.8(2) . . . ? N1 C2 C4 88.71(11) . . . ? N1 C2 C5 116.6(2) . . . ? N1 C2 C6 99.09(11) . . . ? N1 C2 H1 24.5(7) . . . no N1 C2 H1 57.7(3) . . . no N1 C2 H1 57.7(3) . . . no N1 C2 H2 98.4(6) . . . no N1 C2 H2 98.4(6) . . . no N1 C2 H3 140.5(7) . . . no N1 C2 H4 142.6(6) . . . no N1 C2 H4 116.1(3) . . . no N1 C2 H4 116.0(3) . . . no N1 C2 H5 112.1(4) . . . no N2 C2 C1 30.67(6) . . . ? N2 C2 C3 60.03(9) . . . ? N2 C2 C4 29.94(5) . . . ? N2 C2 C5 175.37(13) . . . ? N2 C2 C6 40.32(5) . . . ? N2 C2 H1 83.3(7) . . . no N2 C2 H1 75.5(3) . . . no N2 C2 H1 75.4(3) . . . no N2 C2 H2 151.4(6) . . . no N2 C2 H2 151.4(6) . . . no N2 C2 H3 160.7(7) . . . no N2 C2 H4 83.8(5) . . . no N2 C2 H4 106.0(3) . . . no N2 C2 H4 106.0(3) . . . no N2 C2 H5 53.3(4) . . . no C1 C2 C3 90.70(11) . . . ? C1 C2 C4 60.62(7) . . . ? C1 C2 C5 144.7(1) . . . ? C1 C2 C6 71.00(7) . . . ? C1 C2 H1 52.6(7) . . . no C1 C2 H1 62.8(3) . . . no C1 C2 H1 62.8(3) . . . no C1 C2 H2 124.8(6) . . . no C1 C2 H2 124.8(6) . . . no C1 C2 H3 168.6(7) . . . no C1 C2 H4 114.5(6) . . . no C1 C2 H4 114.5(3) . . . no C1 C2 H4 114.4(3) . . . no C1 C2 H5 84.0(4) . . . no C3 C2 C4 30.09(8) . . . ? C3 C2 C5 124.6(2) . . . ? C3 C2 C6 19.70(8) . . . ? C3 C2 H1 143.3(7) . . . no C3 C2 H1 106.5(4) . . . no C3 C2 H1 106.4(4) . . . no C3 C2 H2 138.8(6) . . . no C3 C2 H2 138.8(6) . . . no C3 C2 H3 100.7(7) . . . no C3 C2 H4 23.8(5) . . . no C3 C2 H4 80.6(3) . . . no C3 C2 H4 80.6(3) . . . no C3 C2 H5 6.7(4) . . . no C4 C2 C5 154.69(13) . . . ? C4 C2 C6 10.38(5) . . . ? C4 C2 H1 113.2(7) . . . no C4 C2 H1 91.0(4) . . . no C4 C2 H1 91.0(4) . . . no C4 C2 H2 160.4(6) . . . no C4 C2 H2 160.4(6) . . . no C4 C2 H3 130.8(7) . . . no C4 C2 H4 53.8(6) . . . no C4 C2 H4 93.8(3) . . . no C4 C2 H4 93.7(3) . . . no C4 C2 H5 23.4(4) . . . no C5 C2 C6 144.30(12) . . . ? C5 C2 H1 92.1(7) . . . no C5 C2 H1 102.2(3) . . . no C5 C2 H1 102.3(3) . . . no C5 C2 H2 25.2(6) . . . no C5 C2 H2 25.2(6) . . . no C5 C2 H3 23.9(7) . . . no C5 C2 H4 100.8(6) . . . no C5 C2 H4 75.7(3) . . . no C5 C2 H4 75.7(3) . . . no C5 C2 H5 131.3(4) . . . no C6 C2 H1 123.6(7) . . . no C6 C2 H1 96.6(4) . . . no C6 C2 H1 96.5(4) . . . no C6 C2 H2 154.7(6) . . . no C6 C2 H2 154.7(6) . . . no C6 C2 H3 120.4(7) . . . no C6 C2 H4 43.5(5) . . . no C6 C2 H4 89.2(3) . . . no C6 C2 H4 89.2(3) . . . no C6 C2 H5 13.0(4) . . . no H1 C2 H1 60.1(4) . . . no H1 C2 H1 60.1(4) . . . no H1 C2 H2 75.1(8) . . . no H1 C2 H2 75.1(8) . . . no H1 C2 H3 116.0(9) . . . no H1 C2 H4 167.1(9) . . . no H1 C2 H4 112.1(3) . . . no H1 C2 H4 112.1(3) . . . no H1 C2 H5 136.6(8) . . . no H1 C2 H1 115.4(6) 2_647 2_647 2_647 no H1 C2 H2 77.6(7) 2_647 2_647 2_647 no H1 C2 H2 108.2(7) 2_647 2_647 2_647 no H1 C2 H3 113.1(4) 2_647 2_647 2_647 no H1 C2 H4 116.2(4) 2_647 2_647 2_647 no H1 C2 H4 58.3(4) 2_647 2_647 2_647 no H1 C2 H4 172.1(5) 2_647 2_647 2_647 no H1 C2 H5 103.2(4) 2_647 2_647 2_647 no H1 C2 H2 108.3(7) 2_657 2_657 2_657 no H1 C2 H2 77.7(7) 2_657 2_657 2_657 no H1 C2 H3 113.2(4) 2_657 2_657 2_657 no H1 C2 H4 116.2(4) 2_657 2_657 2_657 no H1 C2 H4 172.1(5) 2_657 2_657 2_657 no H1 C2 H4 58.3(4) 2_657 2_657 2_657 no H1 C2 H5 103.2(4) 2_657 2_657 2_657 no H2 C2 H2 36.4(13) . . . no H2 C2 H3 44.8(8) . . . no H2 C2 H4 117.1(8) . . . no H2 C2 H4 66.7(7) . . . no H2 C2 H4 99.4(7) . . . no H2 C2 H5 144.6(6) . . . no H2 C2 H3 44.8(8) 4 4 4 no H2 C2 H4 117.1(8) 4 4 4 no H2 C2 H4 99.4(7) 4 4 4 no H2 C2 H4 66.7(7) 4 4 4 no H2 C2 H5 144.6(6) 4 4 4 no H3 C2 H4 76.9(9) . . . no H3 C2 H4 68.0(3) . . . no H3 C2 H4 68.0(3) . . . no H3 C2 H5 107.4(8) . . . no H4 C2 H4 71.7(3) . . . no H4 C2 H4 71.7(3) . . . no H4 C2 H5 30.5(7) . . . no H4 C2 H4 127.5(6) 2_747 2_747 2_747 no H4 C2 H5 83.5(3) 2_747 2_747 2_747 no H4 C2 H5 83.5(3) 2_757 2_757 2_757 no CL2 C3 CL2 124.02(5) . . . ? CL2 C3 O1 63.49(3) . . . ? CL2 C3 O1 108.78(4) . . . ? CL2 C3 N1 71.43(3) . . . ? CL2 C3 N2 62.72(3) . . . ? CL2 C3 C1 63.47(3) . . . ? CL2 C3 C2 84.18(5) . . . ? CL2 C3 C4 69.76(4) . . . ? CL2 C3 C5 97.63(4) . . . ? CL2 C3 C5 55.58(3) . . . ? CL2 C3 C5 156.01(6) . . . ? CL2 C3 C6 81.75(4) . . . ? CL2 C3 C7 64.37(3) . . . ? CL2 C3 H1 74.8(2) . . . no CL2 C3 H2 84.3(4) . . . no CL2 C3 H2 104.7(4) . . . no CL2 C3 H2 144.3(3) . . . no CL2 C3 H2 65.8(3) . . . no CL2 C3 H3 106.0(2) . . . no CL2 C3 H3 43.6(4) . . . no CL2 C3 H3 153.5(4) . . . no CL2 C3 H4 116.8(2) . . . no CL2 C3 H4 51.7(3) . . . no CL2 C3 H4 162.2(3) . . . no CL2 C3 H5 91.1(3) . . . no CL2 C3 H6 67.1(4) . . . no CL2 C3 H6 91.7(4) . . . no CL2 C3 O1 63.47(3) 1_565 1_565 1_565 ? CL2 C3 O1 108.78(4) 1_565 1_565 1_565 ? CL2 C3 N1 71.43(3) 1_565 1_565 1_565 ? CL2 C3 N2 62.68(3) 1_565 1_565 1_565 ? CL2 C3 C1 63.44(3) 1_565 1_565 1_565 ? CL2 C3 C2 84.19(5) 1_565 1_565 1_565 ? CL2 C3 C4 69.72(4) 1_565 1_565 1_565 ? CL2 C3 C5 97.67(4) 1_565 1_565 1_565 ? CL2 C3 C5 156.02(6) 1_565 1_565 1_565 ? CL2 C3 C5 55.57(3) 1_565 1_565 1_565 ? CL2 C3 C6 81.72(4) 1_565 1_565 1_565 ? CL2 C3 C7 64.33(3) 1_565 1_565 1_565 ? CL2 C3 H1 74.8(2) 1_565 1_565 1_565 no CL2 C3 H2 104.7(4) 1_565 1_565 1_565 no CL2 C3 H2 84.4(4) 1_565 1_565 1_565 no CL2 C3 H2 65.8(3) 1_565 1_565 1_565 no CL2 C3 H2 144.3(3) 1_565 1_565 1_565 no CL2 C3 H3 106.0(2) 1_565 1_565 1_565 no CL2 C3 H3 153.5(4) 1_565 1_565 1_565 no CL2 C3 H3 43.6(4) 1_565 1_565 1_565 no CL2 C3 H4 116.8(2) 1_565 1_565 1_565 no CL2 C3 H4 162.2(3) 1_565 1_565 1_565 no CL2 C3 H4 51.7(3) 1_565 1_565 1_565 no CL2 C3 H5 91.0(3) 1_565 1_565 1_565 no CL2 C3 H6 91.7(4) 1_565 1_565 1_565 no CL2 C3 H6 67.0(4) 1_565 1_565 1_565 no O1 C3 O1 151.22(7) . . . ? O1 C3 N1 29.36(5) . . . ? O1 C3 N2 30.11(5) . . . ? O1 C3 C1 0.14(5) . . . ? O1 C3 C2 59.63(9) . . . ? O1 C3 C4 60.36(9) . . . ? O1 C3 C5 88.58(7) . . . ? O1 C3 C5 118.47(4) . . . ? O1 C3 C5 118.44(4) . . . ? O1 C3 C6 90.06(7) . . . ? O1 C3 C7 40.60(4) . . . ? O1 C3 H1 38.1(4) . . . no O1 C3 H2 82.0(3) . . . no O1 C3 H2 82.0(3) . . . no O1 C3 H2 125.8(3) . . . no O1 C3 H2 125.9(3) . . . no O1 C3 H3 108.0(5) . . . no O1 C3 H3 106.4(4) . . . no O1 C3 H3 106.4(4) . . . no O1 C3 H4 178.1(12) . . . no O1 C3 H4 104.4(3) . . . no O1 C3 H4 104.4(3) . . . no O1 C3 H5 110.1(6) . . . no O1 C3 H6 84.8(3) . . . no O1 C3 H6 84.7(3) . . . no O1 C3 N1 179.42(8) 1_655 1_655 1_655 ? O1 C3 N2 121.11(8) 1_655 1_655 1_655 ? O1 C3 C1 151.08(8) 1_655 1_655 1_655 ? O1 C3 C2 149.15(11) 1_655 1_655 1_655 ? O1 C3 C4 90.86(11) 1_655 1_655 1_655 ? O1 C3 C5 120.20(8) 1_655 1_655 1_655 ? O1 C3 C5 56.87(4) 1_655 1_655 1_655 ? O1 C3 C5 56.87(4) 1_655 1_655 1_655 ? O1 C3 C6 61.16(7) 1_655 1_655 1_655 ? O1 C3 C7 110.62(6) 1_655 1_655 1_655 ? O1 C3 H1 170.7(4) 1_655 1_655 1_655 no O1 C3 H2 126.1(3) 1_655 1_655 1_655 no O1 C3 H2 126.1(3) 1_655 1_655 1_655 no O1 C3 H2 44.2(3) 1_655 1_655 1_655 no O1 C3 H2 44.2(3) 1_655 1_655 1_655 no O1 C3 H3 100.8(6) 1_655 1_655 1_655 no O1 C3 H3 67.5(4) 1_655 1_655 1_655 no O1 C3 H3 67.5(4) 1_655 1_655 1_655 no O1 C3 H4 30.7(12) 1_655 1_655 1_655 no O1 C3 H4 88.0(3) 1_655 1_655 1_655 no O1 C3 H4 88.0(3) 1_655 1_655 1_655 no O1 C3 H5 41.1(6) 1_655 1_655 1_655 no O1 C3 H6 67.3(3) 1_655 1_655 1_655 no O1 C3 H6 67.3(3) 1_655 1_655 1_655 no N1 C3 N2 59.47(6) . . . ? N1 C3 C1 29.49(6) . . . ? N1 C3 C2 30.27(8) . . . ? N1 C3 C4 89.72(11) . . . ? N1 C3 C5 59.22(7) . . . ? N1 C3 C5 123.13(4) . . . ? N1 C3 C5 123.13(4) . . . ? N1 C3 C6 119.42(9) . . . ? N1 C3 C7 69.96(6) . . . ? N1 C3 H1 8.7(4) . . . no N1 C3 H2 53.3(3) . . . no N1 C3 H2 53.3(3) . . . no N1 C3 H2 135.8(3) . . . no N1 C3 H2 135.8(3) . . . no N1 C3 H3 78.6(6) . . . no N1 C3 H3 112.6(4) . . . no N1 C3 H3 112.6(4) . . . no N1 C3 H4 148.7(12) . . . no N1 C3 H4 91.7(3) . . . no N1 C3 H4 91.7(3) . . . no N1 C3 H5 139.5(6) . . . no N1 C3 H6 113.2(3) . . . no N1 C3 H6 113.2(3) . . . no N2 C3 C1 29.97(6) . . . ? N2 C3 C2 89.74(11) . . . ? N2 C3 C4 30.25(9) . . . ? N2 C3 C5 118.69(9) . . . ? N2 C3 C5 106.15(5) . . . ? N2 C3 C5 106.11(5) . . . ? N2 C3 C6 59.95(7) . . . ? N2 C3 C7 10.49(5) . . . ? N2 C3 H1 68.2(4) . . . no N2 C3 H2 111.5(4) . . . no N2 C3 H2 111.5(4) . . . no N2 C3 H2 107.1(3) . . . no N2 C3 H2 107.2(3) . . . no N2 C3 H3 138.1(6) . . . no N2 C3 H3 95.9(4) . . . no N2 C3 H3 95.9(4) . . . no N2 C3 H4 151.8(12) . . . no N2 C3 H4 114.1(3) . . . no N2 C3 H4 114.0(3) . . . no N2 C3 H5 80.0(6) . . . no N2 C3 H6 55.6(3) . . . no N2 C3 H6 55.6(3) . . . no C1 C3 C2 59.77(9) . . . ? C1 C3 C4 60.22(9) . . . ? C1 C3 C5 88.72(8) . . . ? C1 C3 C5 118.43(4) . . . ? C1 C3 C5 118.40(4) . . . ? C1 C3 C6 89.92(8) . . . ? C1 C3 C7 40.46(5) . . . ? C1 C3 H1 38.2(4) . . . no C1 C3 H2 82.1(4) . . . no C1 C3 H2 82.1(4) . . . no C1 C3 H2 125.8(3) . . . no C1 C3 H2 125.8(3) . . . no C1 C3 H3 108.1(6) . . . no C1 C3 H3 106.4(4) . . . no C1 C3 H3 106.3(4) . . . no C1 C3 H4 178.2(12) . . . no C1 C3 H4 104.5(3) . . . no C1 C3 H4 104.5(3) . . . no C1 C3 H5 110.0(6) . . . no C1 C3 H6 84.6(3) . . . no C1 C3 H6 84.6(3) . . . no C2 C3 C4 120.0(2) . . . ? C2 C3 C5 28.95(9) . . . ? C2 C3 C5 118.15(5) . . . ? C2 C3 C5 118.17(5) . . . ? C2 C3 C6 149.69(13) . . . ? C2 C3 C7 100.23(10) . . . ? C2 C3 H1 21.6(4) . . . no C2 C3 H2 24.8(4) . . . no C2 C3 H2 24.8(4) . . . no C2 C3 H2 131.3(3) . . . no C2 C3 H2 131.3(3) . . . no C2 C3 H3 48.4(6) . . . no C2 C3 H3 112.7(3) . . . no C2 C3 H3 112.7(3) . . . no C2 C3 H4 118.5(12) . . . no C2 C3 H4 78.2(3) . . . no C2 C3 H4 78.2(3) . . . no C2 C3 H5 169.8(6) . . . no C2 C3 H6 142.0(4) . . . no C2 C3 H6 142.0(4) . . . no C4 C3 C5 148.94(13) . . . ? C4 C3 C5 90.19(7) . . . ? C4 C3 C5 90.15(7) . . . ? C4 C3 C6 29.70(9) . . . ? C4 C3 C7 19.76(9) . . . ? C4 C3 H1 98.4(4) . . . no C4 C3 H2 140.7(4) . . . no C4 C3 H2 140.7(4) . . . no C4 C3 H2 85.6(3) . . . no C4 C3 H2 85.6(3) . . . no C4 C3 H3 168.4(6) . . . no C4 C3 H3 84.0(4) . . . no C4 C3 H3 83.9(4) . . . no C4 C3 H4 121.5(12) . . . no C4 C3 H4 117.1(3) . . . no C4 C3 H4 117.1(3) . . . no C4 C3 H5 49.8(6) . . . no C4 C3 H6 27.6(4) . . . no C4 C3 H6 27.6(4) . . . no C5 C3 C5 106.21(5) . . . ? C5 C3 C5 106.25(5) . . . ? C5 C3 C6 178.64(10) . . . ? C5 C3 C7 129.18(8) . . . ? C5 C3 H1 50.5(4) . . . no C5 C3 H2 13.3(4) . . . no C5 C3 H2 13.3(4) . . . no C5 C3 H2 115.9(3) . . . no C5 C3 H2 115.9(3) . . . no C5 C3 H3 19.4(5) . . . no C5 C3 H3 106.8(3) . . . no C5 C3 H3 106.8(3) . . . no C5 C3 H4 89.5(12) . . . no C5 C3 H4 67.9(3) . . . no C5 C3 H4 67.9(3) . . . no C5 C3 H5 161.3(6) . . . no C5 C3 H6 164.7(4) . . . no C5 C3 H6 164.7(4) . . . no C5 C3 C5 113.74(7) 2_747 2_747 2_747 ? C5 C3 C6 74.46(5) 2_747 2_747 2_747 ? C5 C3 C7 100.83(5) 2_747 2_747 2_747 ? C5 C3 H1 122.70(6) 2_747 2_747 2_747 no C5 C3 H2 99.2(4) 2_747 2_747 2_747 no C5 C3 H2 119.5(4) 2_747 2_747 2_747 no C5 C3 H2 100.8(3) 2_747 2_747 2_747 no C5 C3 H2 13.7(3) 2_747 2_747 2_747 no C5 C3 H3 96.1(3) 2_747 2_747 2_747 no C5 C3 H3 12.1(4) 2_747 2_747 2_747 no C5 C3 H3 123.9(4) 2_747 2_747 2_747 no C5 C3 H4 62.1(4) 2_747 2_747 2_747 no C5 C3 H4 40.4(3) 2_747 2_747 2_747 no C5 C3 H4 136.8(3) 2_747 2_747 2_747 no C5 C3 H5 65.5(2) 2_747 2_747 2_747 no C5 C3 H6 65.6(4) 2_747 2_747 2_747 no C5 C3 H6 89.1(4) 2_747 2_747 2_747 no C5 C3 C6 74.42(5) 2_757 2_757 2_757 ? C5 C3 C7 100.79(5) 2_757 2_757 2_757 ? C5 C3 H1 122.70(6) 2_757 2_757 2_757 no C5 C3 H2 119.6(4) 2_757 2_757 2_757 no C5 C3 H2 99.2(4) 2_757 2_757 2_757 no C5 C3 H2 13.7(3) 2_757 2_757 2_757 no C5 C3 H2 100.8(3) 2_757 2_757 2_757 no C5 C3 H3 96.2(3) 2_757 2_757 2_757 no C5 C3 H3 123.9(4) 2_757 2_757 2_757 no C5 C3 H3 12.1(4) 2_757 2_757 2_757 no C5 C3 H4 62.2(4) 2_757 2_757 2_757 no C5 C3 H4 136.8(3) 2_757 2_757 2_757 no C5 C3 H4 40.4(3) 2_757 2_757 2_757 no C5 C3 H5 65.4(2) 2_757 2_757 2_757 no C5 C3 H6 89.0(4) 2_757 2_757 2_757 no C5 C3 H6 65.5(4) 2_757 2_757 2_757 no C6 C3 C7 49.46(6) . . . ? C6 C3 H1 128.1(4) . . . no C6 C3 H2 166.0(4) . . . no C6 C3 H2 166.0(4) . . . no C6 C3 H2 65.0(3) . . . no C6 C3 H2 65.0(3) . . . no C6 C3 H3 161.9(6) . . . no C6 C3 H3 73.6(3) . . . no C6 C3 H3 73.6(3) . . . no C6 C3 H4 91.8(12) . . . no C6 C3 H4 112.5(3) . . . no C6 C3 H4 112.5(3) . . . no C6 C3 H5 20.1(6) . . . no C6 C3 H6 14.8(4) . . . no C6 C3 H6 14.8(4) . . . no C7 C3 H1 78.6(4) . . . no C7 C3 H2 121.7(3) . . . no C7 C3 H2 121.7(3) . . . no C7 C3 H2 99.8(3) . . . no C7 C3 H2 99.8(3) . . . no C7 C3 H3 148.6(6) . . . no C7 C3 H3 91.8(4) . . . no C7 C3 H3 91.8(4) . . . no C7 C3 H4 141.3(12) . . . no C7 C3 H4 116.0(3) . . . no C7 C3 H4 116.0(3) . . . no C7 C3 H5 69.5(6) . . . no C7 C3 H6 45.7(3) . . . no C7 C3 H6 45.7(3) . . . no H1 C3 H2 44.9(5) . . . no H1 C3 H2 44.9(5) . . . no H1 C3 H2 136.2(3) . . . no H1 C3 H2 136.2(3) . . . no H1 C3 H3 69.9(6) . . . no H1 C3 H3 113.3(4) . . . no H1 C3 H3 113.3(4) . . . no H1 C3 H4 140.1(12) . . . no H1 C3 H4 87.7(4) . . . no H1 C3 H4 87.7(4) . . . no H1 C3 H5 148.2(7) . . . no H1 C3 H6 121.6(5) . . . no H1 C3 H6 121.6(5) . . . no H2 C3 H2 23.0(8) . . . no H2 C3 H2 129.0(5) . . . no H2 C3 H2 110.7(4) . . . no H2 C3 H3 28.4(6) . . . no H2 C3 H3 97.5(5) . . . no H2 C3 H3 119.7(5) . . . no H2 C3 H4 96.2(12) . . . no H2 C3 H4 59.1(5) . . . no H2 C3 H4 80.9(5) . . . no H2 C3 H5 163.5(6) . . . no H2 C3 H6 151.4(5) . . . no H2 C3 H6 166.5(5) . . . no H2 C3 H2 110.7(4) 4 4 4 no H2 C3 H2 129.0(5) 4 4 4 no H2 C3 H3 28.4(6) 4 4 4 no H2 C3 H3 119.7(5) 4 4 4 no H2 C3 H3 97.5(5) 4 4 4 no H2 C3 H4 96.2(12) 4 4 4 no H2 C3 H4 80.8(5) 4 4 4 no H2 C3 H4 59.1(5) 4 4 4 no H2 C3 H5 163.5(6) 4 4 4 no H2 C3 H6 166.5(5) 4 4 4 no H2 C3 H6 151.4(5) 4 4 4 no H2 C3 H2 87.6(6) 2_757 2_757 2_757 no H2 C3 H3 102.8(5) 2_757 2_757 2_757 no H2 C3 H3 110.5(5) 2_757 2_757 2_757 no H2 C3 H3 23.2(4) 2_757 2_757 2_757 no H2 C3 H4 55.2(7) 2_757 2_757 2_757 no H2 C3 H4 129.1(4) 2_757 2_757 2_757 no H2 C3 H4 53.1(4) 2_757 2_757 2_757 no H2 C3 H5 53.3(4) 2_757 2_757 2_757 no H2 C3 H6 79.0(4) 2_757 2_757 2_757 no H2 C3 H6 58.7(4) 2_757 2_757 2_757 no H2 C3 H3 102.7(5) 3_757 3_757 3_757 no H2 C3 H3 23.2(4) 3_757 3_757 3_757 no H2 C3 H3 110.5(5) 3_757 3_757 3_757 no H2 C3 H4 55.1(7) 3_757 3_757 3_757 no H2 C3 H4 53.1(4) 3_757 3_757 3_757 no H2 C3 H4 129.1(4) 3_757 3_757 3_757 no H2 C3 H5 53.3(4) 3_757 3_757 3_757 no H2 C3 H6 58.8(4) 3_757 3_757 3_757 no H2 C3 H6 79.0(4) 3_757 3_757 3_757 no H3 C3 H3 100.4(4) . . . no H3 C3 H3 100.4(4) . . . no H3 C3 H4 70.1(13) . . . no H3 C3 H4 63.8(3) . . . no H3 C3 H4 63.9(3) . . . no H3 C3 H5 141.9(8) . . . no H3 C3 H6 161.5(5) . . . no H3 C3 H6 161.5(5) . . . no H3 C3 H3 133.0(7) 2_747 2_747 2_747 no H3 C3 H4 74.2(5) 2_747 2_747 2_747 no H3 C3 H4 38.9(4) 2_747 2_747 2_747 no H3 C3 H4 148.6(5) 2_747 2_747 2_747 no H3 C3 H5 68.8(3) 2_747 2_747 2_747 no H3 C3 H6 62.4(5) 2_747 2_747 2_747 no H3 C3 H6 88.4(5) 2_747 2_747 2_747 no H3 C3 H4 74.2(5) 2_757 2_757 2_757 no H3 C3 H4 148.6(5) 2_757 2_757 2_757 no H3 C3 H4 38.9(4) 2_757 2_757 2_757 no H3 C3 H5 68.8(3) 2_757 2_757 2_757 no H3 C3 H6 88.3(5) 2_757 2_757 2_757 no H3 C3 H6 62.3(5) 2_757 2_757 2_757 no H4 C3 H4 74.8(6) . . . no H4 C3 H4 74.8(6) . . . no H4 C3 H5 71.8(13) . . . no H4 C3 H6 97.1(12) . . . no H4 C3 H6 97.1(12) . . . no H4 C3 H4 125.7(5) 2_747 2_747 2_747 no H4 C3 H5 105.9(3) 2_747 2_747 2_747 no H4 C3 H6 100.5(4) 2_747 2_747 2_747 no H4 C3 H6 127.2(5) 2_747 2_747 2_747 no H4 C3 H5 105.8(3) 2_757 2_757 2_757 no H4 C3 H6 127.1(5) 2_757 2_757 2_757 no H4 C3 H6 100.4(4) 2_757 2_757 2_757 no H5 C3 H6 28.8(6) . . . no H5 C3 H6 28.8(6) . . . no H6 C3 H6 27.5(7) . . . no CL2 C4 CL2 140.47(5) . . . ? CL2 C4 O1 70.77(3) . . . ? CL2 C4 O1 107.81(3) . . . ? CL2 C4 N1 72.46(3) . . . ? CL2 C4 N2 73.41(4) . . . ? CL2 C4 C1 70.27(3) . . . ? CL2 C4 C2 79.31(4) . . . ? CL2 C4 C3 88.87(5) . . . ? CL2 C4 C5 82.23(4) . . . ? CL2 C4 C6 107.11(4) . . . ? CL2 C4 C7 81.08(4) . . . ? CL2 C4 C8 62.81(4) . . . ? CL2 C4 C8 102.86(5) . . . ? CL2 C4 H1 72.50(7) . . . no CL2 C4 H3 86.30(12) . . . no CL2 C4 H3 44.3(3) . . . no CL2 C4 H3 163.3(3) . . . no CL2 C4 H4 96.4(2) . . . no CL2 C4 H5 109.67(4) . . . no CL2 C4 H6 82.9(6) . . . no CL2 C4 H6 124.7(6) . . . no CL2 C4 H7 46.2(4) . . . no CL2 C4 H7 116.7(4) . . . no CL2 C4 O1 70.76(3) 1_565 1_565 1_565 ? CL2 C4 O1 107.84(3) 1_565 1_565 1_565 ? CL2 C4 N1 72.48(3) 1_565 1_565 1_565 ? CL2 C4 N2 73.38(4) 1_565 1_565 1_565 ? CL2 C4 C1 70.27(3) 1_565 1_565 1_565 ? CL2 C4 C2 79.34(4) 1_565 1_565 1_565 ? CL2 C4 C3 88.91(5) 1_565 1_565 1_565 ? CL2 C4 C5 82.27(4) 1_565 1_565 1_565 ? CL2 C4 C6 107.09(4) 1_565 1_565 1_565 ? CL2 C4 C7 81.03(4) 1_565 1_565 1_565 ? CL2 C4 C8 102.82(5) 1_565 1_565 1_565 ? CL2 C4 C8 62.77(4) 1_565 1_565 1_565 ? CL2 C4 H1 72.52(7) 1_565 1_565 1_565 no CL2 C4 H3 86.35(12) 1_565 1_565 1_565 no CL2 C4 H3 163.3(3) 1_565 1_565 1_565 no CL2 C4 H3 44.3(3) 1_565 1_565 1_565 no CL2 C4 H4 96.4(2) 1_565 1_565 1_565 no CL2 C4 H5 109.67(4) 1_565 1_565 1_565 no CL2 C4 H6 124.7(6) 1_565 1_565 1_565 no CL2 C4 H6 82.8(6) 1_565 1_565 1_565 no CL2 C4 H7 116.7(4) 1_565 1_565 1_565 no CL2 C4 H7 46.1(4) 1_565 1_565 1_565 no O1 C4 O1 167.89(7) . . . ? O1 C4 N1 40.07(4) . . . ? O1 C4 N2 19.28(8) . . . ? O1 C4 C1 9.68(5) . . . ? O1 C4 C2 69.84(6) . . . ? O1 C4 C3 99.76(11) . . . ? O1 C4 C5 79.54(6) . . . ? O1 C4 C6 137.37(12) . . . ? O1 C4 C7 49.58(6) . . . ? O1 C4 C8 57.73(5) . . . ? O1 C4 C8 57.74(5) . . . ? O1 C4 H1 40.3(4) . . . no O1 C4 H3 92.1(4) . . . no O1 C4 H3 114.4(3) . . . no O1 C4 H3 114.4(3) . . . no O1 C4 H4 122.3(5) . . . no O1 C4 H5 161.4(7) . . . no O1 C4 H6 119.6(5) . . . no O1 C4 H6 119.5(5) . . . no O1 C4 H7 59.3(3) . . . no O1 C4 H7 59.3(3) . . . no O1 C4 N1 127.82(6) 1_655 1_655 1_655 ? O1 C4 N2 172.83(12) 1_655 1_655 1_655 ? O1 C4 C1 158.21(8) 1_655 1_655 1_655 ? O1 C4 C2 98.05(7) 1_655 1_655 1_655 ? O1 C4 C3 68.12(10) 1_655 1_655 1_655 ? O1 C4 C5 88.35(5) 1_655 1_655 1_655 ? O1 C4 C6 54.74(10) 1_655 1_655 1_655 ? O1 C4 C7 142.53(8) 1_655 1_655 1_655 ? O1 C4 C8 133.03(6) 1_655 1_655 1_655 ? O1 C4 C8 133.03(6) 1_655 1_655 1_655 ? O1 C4 H1 127.6(4) 1_655 1_655 1_655 no O1 C4 H3 75.8(4) 1_655 1_655 1_655 no O1 C4 H3 63.6(3) 1_655 1_655 1_655 no O1 C4 H3 63.6(3) 1_655 1_655 1_655 no O1 C4 H4 45.6(5) 1_655 1_655 1_655 no O1 C4 H5 30.7(7) 1_655 1_655 1_655 no O1 C4 H6 71.5(5) 1_655 1_655 1_655 no O1 C4 H6 71.5(5) 1_655 1_655 1_655 no O1 C4 H7 128.8(4) 1_655 1_655 1_655 no O1 C4 H7 128.8(4) 1_655 1_655 1_655 no N1 C4 N2 59.35(9) . . . ? N1 C4 C1 30.39(5) . . . ? N1 C4 C2 29.77(5) . . . ? N1 C4 C3 59.69(10) . . . ? N1 C4 C5 39.47(5) . . . ? N1 C4 C6 177.44(12) . . . ? N1 C4 C7 89.65(7) . . . ? N1 C4 C8 94.80(6) . . . ? N1 C4 C8 94.80(6) . . . ? N1 C4 H1 0.3(4) . . . no N1 C4 H3 52.1(4) . . . no N1 C4 H3 100.8(3) . . . no N1 C4 H3 100.9(3) . . . no N1 C4 H4 82.3(5) . . . no N1 C4 H5 158.5(7) . . . no N1 C4 H6 152.2(6) . . . no N1 C4 H6 152.2(6) . . . no N1 C4 H7 90.1(3) . . . no N1 C4 H7 90.1(3) . . . no N2 C4 C1 28.96(8) . . . ? N2 C4 C2 89.12(11) . . . ? N2 C4 C3 119.0(2) . . . ? N2 C4 C5 98.82(11) . . . ? N2 C4 C6 118.1(2) . . . ? N2 C4 C7 30.30(9) . . . ? N2 C4 C8 40.85(7) . . . ? N2 C4 C8 40.86(7) . . . ? N2 C4 H1 59.6(4) . . . no N2 C4 H3 111.4(4) . . . no N2 C4 H3 117.1(3) . . . no N2 C4 H3 117.0(3) . . . no N2 C4 H4 141.6(6) . . . no N2 C4 H5 142.1(7) . . . no N2 C4 H6 101.9(5) . . . no N2 C4 H6 101.8(5) . . . no N2 C4 H7 47.0(4) . . . no N2 C4 H7 46.9(4) . . . no C1 C4 C2 60.16(7) . . . ? C1 C4 C3 90.08(12) . . . ? C1 C4 C5 69.86(7) . . . ? C1 C4 C6 147.05(13) . . . ? C1 C4 C7 59.26(7) . . . ? C1 C4 C8 66.57(6) . . . ? C1 C4 C8 66.57(6) . . . ? C1 C4 H1 30.6(4) . . . no C1 C4 H3 82.4(4) . . . no C1 C4 H3 111.9(3) . . . no C1 C4 H3 111.9(3) . . . no C1 C4 H4 112.6(5) . . . no C1 C4 H5 171.1(7) . . . no C1 C4 H6 128.2(5) . . . no C1 C4 H6 128.2(5) . . . no C1 C4 H7 66.4(3) . . . no C1 C4 H7 66.4(3) . . . no C2 C4 C3 29.92(9) . . . ? C2 C4 C5 9.70(5) . . . ? C2 C4 C6 152.79(13) . . . ? C2 C4 C7 119.42(9) . . . ? C2 C4 C8 122.26(7) . . . ? C2 C4 C8 122.27(7) . . . ? C2 C4 H1 29.5(4) . . . no C2 C4 H3 22.3(4) . . . no C2 C4 H3 87.5(3) . . . no C2 C4 H3 87.5(3) . . . no C2 C4 H4 52.5(5) . . . no C2 C4 H5 128.8(7) . . . no C2 C4 H6 155.4(5) . . . no C2 C4 H6 155.5(5) . . . no C2 C4 H7 113.3(3) . . . no C2 C4 H7 113.4(3) . . . no C3 C4 C5 20.22(9) . . . ? C3 C4 C6 122.9(2) . . . ? C3 C4 C7 149.34(13) . . . ? C3 C4 C8 147.57(10) . . . ? C3 C4 C8 147.58(10) . . . ? C3 C4 H1 59.4(4) . . . no C3 C4 H3 7.6(4) . . . no C3 C4 H3 74.6(3) . . . no C3 C4 H3 74.7(3) . . . no C3 C4 H4 22.6(5) . . . no C3 C4 H5 98.8(7) . . . no C3 C4 H6 133.8(5) . . . no C3 C4 H6 133.9(5) . . . no C3 C4 H7 133.4(4) . . . no C3 C4 H7 133.4(4) . . . no C5 C4 C6 143.09(12) . . . ? C5 C4 C7 129.12(8) . . . ? C5 C4 C8 130.92(6) . . . ? C5 C4 C8 130.92(6) . . . ? C5 C4 H1 39.2(4) . . . no C5 C4 H3 12.6(3) . . . no C5 C4 H3 83.1(3) . . . no C5 C4 H3 83.1(3) . . . no C5 C4 H4 42.8(5) . . . no C5 C4 H5 119.1(7) . . . no C5 C4 H6 149.8(5) . . . no C5 C4 H6 149.8(5) . . . no C5 C4 H7 120.4(3) . . . no C5 C4 H7 120.5(3) . . . no C6 C4 C7 87.80(12) . . . ? C6 C4 C8 82.82(10) . . . ? C6 C4 C8 82.81(10) . . . ? C6 C4 H1 177.7(4) . . . no C6 C4 H3 130.5(4) . . . no C6 C4 H3 80.3(3) . . . no C6 C4 H3 80.2(3) . . . no C6 C4 H4 100.3(6) . . . no C6 C4 H5 24.0(7) . . . no C6 C4 H6 26.3(5) . . . no C6 C4 H6 26.3(5) . . . no C6 C4 H7 87.9(3) . . . no C6 C4 H7 87.8(3) . . . no C7 C4 C8 21.84(4) . . . ? C7 C4 C8 21.83(4) . . . ? C7 C4 H1 89.9(4) . . . no C7 C4 H3 141.7(4) . . . no C7 C4 H3 114.7(3) . . . no C7 C4 H3 114.7(3) . . . no C7 C4 H4 171.9(5) . . . no C7 C4 H5 111.8(7) . . . no C7 C4 H6 73.7(5) . . . no C7 C4 H6 73.7(5) . . . no C7 C4 H7 37.4(4) . . . no C7 C4 H7 37.4(4) . . . no C8 C4 C8 42.32(7) . . . ? C8 C4 H1 95.0(3) . . . no C8 C4 H3 141.6(3) . . . no C8 C4 H3 92.9(3) . . . no C8 C4 H3 133.8(3) . . . no C8 C4 H4 158.68(7) . . . no C8 C4 H5 105.2(6) . . . no C8 C4 H6 61.8(5) . . . no C8 C4 H6 78.1(5) . . . no C8 C4 H7 16.8(4) . . . no C8 C4 H7 58.7(4) . . . no C8 C4 H1 95.0(3) 4 4 4 no C8 C4 H3 141.6(3) 4 4 4 no C8 C4 H3 133.8(3) 4 4 4 no C8 C4 H3 92.9(3) 4 4 4 no C8 C4 H4 158.69(7) 4 4 4 no C8 C4 H5 105.2(6) 4 4 4 no C8 C4 H6 78.1(5) 4 4 4 no C8 C4 H6 61.8(5) 4 4 4 no C8 C4 H7 58.7(4) 4 4 4 no C8 C4 H7 16.8(4) 4 4 4 no H1 C4 H3 51.8(5) . . . no H1 C4 H3 100.7(4) . . . no H1 C4 H3 100.8(4) . . . no H1 C4 H4 82.0(6) . . . no H1 C4 H5 158.3(8) . . . no H1 C4 H6 152.4(6) . . . no H1 C4 H6 152.4(6) . . . no H1 C4 H7 90.3(4) . . . no H1 C4 H7 90.3(4) . . . no H3 C4 H3 77.7(4) . . . no H3 C4 H3 77.7(4) . . . no H3 C4 H4 30.2(7) . . . no H3 C4 H5 106.5(8) . . . no H3 C4 H6 140.3(6) . . . no H3 C4 H6 140.3(6) . . . no H3 C4 H7 128.9(4) . . . no H3 C4 H7 128.9(4) . . . no H3 C4 H3 125.5(7) 2_747 2_747 2_747 no H3 C4 H4 67.2(4) 2_747 2_747 2_747 no H3 C4 H5 70.9(4) 2_747 2_747 2_747 no H3 C4 H6 68.0(6) 2_747 2_747 2_747 no H3 C4 H6 106.3(7) 2_747 2_747 2_747 no H3 C4 H7 78.0(6) 2_747 2_747 2_747 no H3 C4 H7 150.6(5) 2_747 2_747 2_747 no H3 C4 H4 67.2(4) 2_757 2_757 2_757 no H3 C4 H5 70.9(4) 2_757 2_757 2_757 no H3 C4 H6 106.3(7) 2_757 2_757 2_757 no H3 C4 H6 67.9(6) 2_757 2_757 2_757 no H3 C4 H7 150.5(5) 2_757 2_757 2_757 no H3 C4 H7 77.9(6) 2_757 2_757 2_757 no H4 C4 H5 76.3(9) . . . no H4 C4 H6 113.7(7) . . . no H4 C4 H6 113.7(7) . . . no H4 C4 H7 142.0(4) . . . no H4 C4 H7 142.0(4) . . . no H5 C4 H6 44.1(7) . . . no H5 C4 H6 44.1(7) . . . no H5 C4 H7 106.8(6) . . . no H5 C4 H7 106.8(6) . . . no H6 C4 H6 43.3(11) . . . no H6 C4 H7 63.1(6) . . . no H6 C4 H7 89.7(6) . . . no H6 C4 H7 89.7(6) 4 4 4 no H6 C4 H7 63.1(6) 4 4 4 no H7 C4 H7 74.7(8) . . . no CL1 C5 CL2 96.55(6) 1_656 1_656 1_656 ? CL1 C5 CL2 73.04(4) 1_656 1_656 1_656 ? CL1 C5 O1 88.95(4) 1_656 1_656 1_656 ? CL1 C5 O1 89.00(4) 1_656 1_656 1_656 ? CL1 C5 N1 150.32(10) 1_656 1_656 1_656 ? CL1 C5 C1 158.29(8) 1_656 1_656 1_656 ? CL1 C5 C2 179.8(1) 1_656 1_656 1_656 ? CL1 C5 C3 153.34(9) 1_656 1_656 1_656 ? CL1 C5 C3 92.21(4) 1_656 1_656 1_656 ? CL1 C5 C3 92.25(4) 1_656 1_656 1_656 ? CL1 C5 C4 164.17(8) 1_656 1_656 1_656 ? CL1 C5 H1 129.1(6) 1_656 1_656 1_656 no CL1 C5 H2 67.6(11) 1_656 1_656 1_656 no CL1 C5 H2 67.6(11) 1_656 1_656 1_656 no CL1 C5 H3 67.5(14) 1_656 1_656 1_656 no CL1 C5 H4 133.7(4) 1_656 1_656 1_656 no CL1 C5 H4 98.9(3) 1_656 1_656 1_656 no CL1 C5 H4 98.9(3) 1_656 1_656 1_656 no CL1 C5 H5 63.4(3) 1_656 1_656 1_656 no CL1 C5 H5 63.4(3) 1_656 1_656 1_656 no CL1 C5 H6 46.3(3) 1_656 1_656 1_656 no CL1 C5 H6 46.3(3) 1_656 1_656 1_656 no CL2 C5 CL2 169.59(6) 2_657 2_657 2_657 ? CL2 C5 O1 67.76(4) 2_657 2_657 2_657 ? CL2 C5 O1 67.75(4) 2_657 2_657 2_657 ? CL2 C5 N1 53.77(6) 2_657 2_657 2_657 ? CL2 C5 C1 61.74(5) 2_657 2_657 2_657 ? CL2 C5 C2 83.66(10) 2_657 2_657 2_657 ? CL2 C5 C3 110.11(7) 2_657 2_657 2_657 ? CL2 C5 C3 122.50(4) 2_657 2_657 2_657 ? CL2 C5 C3 122.48(4) 2_657 2_657 2_657 ? CL2 C5 C4 99.27(5) 2_657 2_657 2_657 ? CL2 C5 H1 32.5(6) 2_657 2_657 2_657 no CL2 C5 H2 54.3(12) 2_657 2_657 2_657 no CL2 C5 H2 54.3(12) 2_657 2_657 2_657 no CL2 C5 H3 164.1(15) 2_657 2_657 2_657 no CL2 C5 H4 129.8(4) 2_657 2_657 2_657 no CL2 C5 H4 110.8(3) 2_657 2_657 2_657 no CL2 C5 H4 110.8(3) 2_657 2_657 2_657 no CL2 C5 H5 97.7(4) 2_657 2_657 2_657 no CL2 C5 H5 97.7(4) 2_657 2_657 2_657 no CL2 C5 H6 111.6(3) 2_657 2_657 2_657 no CL2 C5 H6 111.6(3) 2_657 2_657 2_657 no CL2 C5 O1 111.16(4) 2_757 2_757 2_757 ? CL2 C5 O1 111.18(4) 2_757 2_757 2_757 ? CL2 C5 N1 136.64(9) 2_757 2_757 2_757 ? CL2 C5 C1 128.67(7) 2_757 2_757 2_757 ? CL2 C5 C2 106.75(12) 2_757 2_757 2_757 ? CL2 C5 C3 80.30(7) 2_757 2_757 2_757 ? CL2 C5 C3 59.32(4) 2_757 2_757 2_757 ? CL2 C5 C3 59.34(4) 2_757 2_757 2_757 ? CL2 C5 C4 91.14(6) 2_757 2_757 2_757 ? CL2 C5 H1 157.9(6) 2_757 2_757 2_757 no CL2 C5 H2 119.5(12) 2_757 2_757 2_757 no CL2 C5 H2 119.5(12) 2_757 2_757 2_757 no CL2 C5 H3 5.5(14) 2_757 2_757 2_757 no CL2 C5 H4 60.7(4) 2_757 2_757 2_757 no CL2 C5 H4 71.7(3) 2_757 2_757 2_757 no CL2 C5 H4 71.7(3) 2_757 2_757 2_757 no CL2 C5 H5 77.8(4) 2_757 2_757 2_757 no CL2 C5 H5 77.9(4) 2_757 2_757 2_757 no CL2 C5 H6 61.3(3) 2_757 2_757 2_757 no CL2 C5 H6 61.3(3) 2_757 2_757 2_757 no O1 C5 O1 134.90(8) 2_647 2_647 2_647 ? O1 C5 N1 79.99(5) 2_647 2_647 2_647 ? O1 C5 C1 82.84(4) 2_647 2_647 2_647 ? O1 C5 C2 91.13(6) 2_647 2_647 2_647 ? O1 C5 C3 100.85(5) 2_647 2_647 2_647 ? O1 C5 C3 55.68(3) 2_647 2_647 2_647 ? O1 C5 C3 169.40(7) 2_647 2_647 2_647 ? O1 C5 C4 97.01(4) 2_647 2_647 2_647 ? O1 C5 H1 73.4(2) 2_647 2_647 2_647 no O1 C5 H2 29.2(12) 2_647 2_647 2_647 no O1 C5 H2 112.1(13) 2_647 2_647 2_647 no O1 C5 H3 110.3(3) 2_647 2_647 2_647 no O1 C5 H4 106.83(12) 2_647 2_647 2_647 no O1 C5 H4 45.8(3) 2_647 2_647 2_647 no O1 C5 H4 172.1(3) 2_647 2_647 2_647 no O1 C5 H5 37.0(4) 2_647 2_647 2_647 no O1 C5 H5 147.8(4) 2_647 2_647 2_647 no O1 C5 H6 135.3(3) 2_647 2_647 2_647 no O1 C5 H6 59.2(3) 2_647 2_647 2_647 no O1 C5 N1 79.95(5) 2_657 2_657 2_657 ? O1 C5 C1 82.79(4) 2_657 2_657 2_657 ? O1 C5 C2 91.08(6) 2_657 2_657 2_657 ? O1 C5 C3 100.81(5) 2_657 2_657 2_657 ? O1 C5 C3 169.40(7) 2_657 2_657 2_657 ? O1 C5 C3 55.68(3) 2_657 2_657 2_657 ? O1 C5 C4 96.97(4) 2_657 2_657 2_657 ? O1 C5 H1 73.4(2) 2_657 2_657 2_657 no O1 C5 H2 112.1(13) 2_657 2_657 2_657 no O1 C5 H2 29.2(12) 2_657 2_657 2_657 no O1 C5 H3 110.3(3) 2_657 2_657 2_657 no O1 C5 H4 106.81(12) 2_657 2_657 2_657 no O1 C5 H4 172.1(3) 2_657 2_657 2_657 no O1 C5 H4 45.8(3) 2_657 2_657 2_657 no O1 C5 H5 147.8(4) 2_657 2_657 2_657 no O1 C5 H5 37.0(4) 2_657 2_657 2_657 no O1 C5 H6 59.2(3) 2_657 2_657 2_657 no O1 C5 H6 135.3(3) 2_657 2_657 2_657 no N1 C5 C1 7.97(5) . . . ? N1 C5 C2 29.89(9) . . . ? N1 C5 C3 56.34(7) . . . ? N1 C5 C3 103.67(5) . . . ? N1 C5 C3 103.63(5) . . . ? N1 C5 C4 45.50(6) . . . ? N1 C5 H1 21.3(6) . . . no N1 C5 H2 91.1(12) . . . no N1 C5 H2 91.1(12) . . . no N1 C5 H3 142.1(15) . . . no N1 C5 H4 76.0(4) . . . no N1 C5 H4 92.9(3) . . . no N1 C5 H4 92.9(3) . . . no N1 C5 H5 115.5(4) . . . no N1 C5 H5 115.5(4) . . . no N1 C5 H6 138.1(3) . . . no N1 C5 H6 138.1(3) . . . no C1 C5 C2 21.92(9) . . . ? C1 C5 C3 48.37(6) . . . ? C1 C5 C3 99.54(5) . . . ? C1 C5 C3 99.50(5) . . . ? C1 C5 C4 37.54(4) . . . ? C1 C5 H1 29.2(6) . . . no C1 C5 H2 97.0(11) . . . no C1 C5 H2 96.9(11) . . . no C1 C5 H3 134.2(15) . . . no C1 C5 H4 68.0(4) . . . no C1 C5 H4 89.7(3) . . . no C1 C5 H4 89.7(3) . . . no C1 C5 H5 116.6(4) . . . no C1 C5 H5 116.5(4) . . . no C1 C5 H6 138.5(3) . . . no C1 C5 H6 138.5(3) . . . no C2 C5 C3 26.45(9) . . . ? C2 C5 C3 87.67(7) . . . ? C2 C5 C3 87.63(7) . . . ? C2 C5 C4 15.62(9) . . . ? C2 C5 H1 51.2(6) . . . no C2 C5 H2 112.6(11) . . . no C2 C5 H2 112.5(11) . . . no C2 C5 H3 112.3(15) . . . no C2 C5 H4 46.1(4) . . . no C2 C5 H4 81.0(3) . . . no C2 C5 H4 81.0(3) . . . no C2 C5 H5 116.6(3) . . . no C2 C5 H5 116.6(3) . . . no C2 C5 H6 133.6(3) . . . no C2 C5 H6 133.6(3) . . . no C3 C5 C3 73.79(5) . . . ? C3 C5 C3 73.75(5) . . . ? C3 C5 C4 10.84(5) . . . ? C3 C5 H1 77.6(6) . . . no C3 C5 H2 128.6(12) . . . no C3 C5 H2 128.6(12) . . . no C3 C5 H3 85.8(15) . . . no C3 C5 H4 19.6(4) . . . no C3 C5 H4 72.1(3) . . . no C3 C5 H4 72.1(3) . . . no C3 C5 H5 111.3(3) . . . no C3 C5 H5 111.3(3) . . . no C3 C5 H6 119.1(3) . . . no C3 C5 H6 119.1(3) . . . no C3 C5 C3 113.74(7) 2_747 2_747 2_747 ? C3 C5 C4 79.29(5) 2_747 2_747 2_747 ? C3 C5 H1 113.5(3) 2_747 2_747 2_747 no C3 C5 H2 78.0(13) 2_747 2_747 2_747 no C3 C5 H2 157.6(12) 2_747 2_747 2_747 no C3 C5 H3 60.7(4) 2_747 2_747 2_747 no C3 C5 H4 65.1(2) 2_747 2_747 2_747 no C3 C5 H4 12.6(3) 2_747 2_747 2_747 no C3 C5 H4 123.7(3) 2_747 2_747 2_747 no C3 C5 H5 39.3(4) 2_747 2_747 2_747 no C3 C5 H5 135.8(4) 2_747 2_747 2_747 no C3 C5 H6 115.0(3) 2_747 2_747 2_747 no C3 C5 H6 46.6(3) 2_747 2_747 2_747 no C3 C5 C4 79.25(5) 2_757 2_757 2_757 ? C3 C5 H1 113.5(3) 2_757 2_757 2_757 no C3 C5 H2 157.6(12) 2_757 2_757 2_757 no C3 C5 H2 78.0(13) 2_757 2_757 2_757 no C3 C5 H3 60.7(4) 2_757 2_757 2_757 no C3 C5 H4 65.1(2) 2_757 2_757 2_757 no C3 C5 H4 123.7(3) 2_757 2_757 2_757 no C3 C5 H4 12.6(3) 2_757 2_757 2_757 no C3 C5 H5 135.9(4) 2_757 2_757 2_757 no C3 C5 H5 39.4(4) 2_757 2_757 2_757 no C3 C5 H6 46.7(3) 2_757 2_757 2_757 no C3 C5 H6 115.0(3) 2_757 2_757 2_757 no C4 C5 H1 66.8(6) . . . no C4 C5 H2 122.6(12) . . . no C4 C5 H2 122.6(12) . . . no C4 C5 H3 96.6(15) . . . no C4 C5 H4 30.5(4) . . . no C4 C5 H4 75.4(3) . . . no C4 C5 H4 75.4(3) . . . no C4 C5 H5 114.1(3) . . . no C4 C5 H5 114.1(3) . . . no C4 C5 H6 125.8(3) . . . no C4 C5 H6 125.8(3) . . . no H1 C5 H2 75.6(13) . . . no H1 C5 H2 75.5(13) . . . no H1 C5 H3 163.4(16) . . . no H1 C5 H4 97.2(7) . . . no H1 C5 H4 101.2(4) . . . no H1 C5 H4 101.1(4) . . . no H1 C5 H5 110.3(4) . . . no H1 C5 H5 110.3(4) . . . no H1 C5 H6 131.4(4) . . . no H1 C5 H6 131.4(4) . . . no H2 C5 H2 85.1(25) . . . no H2 C5 H3 115.9(16) . . . no H2 C5 H4 136.0(12) . . . no H2 C5 H4 71.2(13) . . . no H2 C5 H4 156.0(13) . . . no H2 C5 H5 43.9(13) . . . no H2 C5 H5 118.9(12) . . . no H2 C5 H6 111.6(12) . . . no H2 C5 H6 58.2(12) . . . no H2 C5 H3 115.9(16) 4 4 4 no H2 C5 H4 136.0(12) 4 4 4 no H2 C5 H4 156.0(13) 4 4 4 no H2 C5 H4 71.2(13) 4 4 4 no H2 C5 H5 118.9(12) 4 4 4 no H2 C5 H5 43.9(13) 4 4 4 no H2 C5 H6 58.2(12) 4 4 4 no H2 C5 H6 111.6(12) 4 4 4 no H3 C5 H4 66.2(15) . . . no H3 C5 H4 73.3(6) . . . no H3 C5 H4 73.3(6) . . . no H3 C5 H5 75.6(7) . . . no H3 C5 H5 75.6(7) . . . no H3 C5 H6 57.8(9) . . . no H3 C5 H6 57.8(9) . . . no H4 C5 H4 67.8(3) . . . no H4 C5 H4 67.7(3) . . . no H4 C5 H5 104.4(4) . . . no H4 C5 H5 104.4(4) . . . no H4 C5 H6 105.4(4) . . . no H4 C5 H6 105.5(4) . . . no H4 C5 H4 132.1(5) 2_747 2_747 2_747 no H4 C5 H5 39.2(4) 2_747 2_747 2_747 no H4 C5 H5 148.4(5) 2_747 2_747 2_747 no H4 C5 H6 127.1(4) 2_747 2_747 2_747 no H4 C5 H6 52.6(4) 2_747 2_747 2_747 no H4 C5 H5 148.4(5) 2_757 2_757 2_757 no H4 C5 H5 39.2(4) 2_757 2_757 2_757 no H4 C5 H6 52.6(4) 2_757 2_757 2_757 no H4 C5 H6 127.1(4) 2_757 2_757 2_757 no H5 C5 H5 125.8(7) 2_747 2_747 2_747 no H5 C5 H6 104.8(5) 2_747 2_747 2_747 no H5 C5 H6 22.6(4) 2_747 2_747 2_747 no H5 C5 H6 22.6(4) 2_757 2_757 2_757 no H5 C5 H6 104.8(5) 2_757 2_757 2_757 no H6 C5 H6 82.9(6) 2_757 2_757 2_757 no CL1 C6 CL1 122.36(6) 2_646 2_646 2_646 ? CL1 C6 O1 91.32(4) 2_646 2_646 2_646 ? CL1 C6 N2 109.78(4) 2_646 2_646 2_646 ? CL1 C6 C1 112.81(4) 2_646 2_646 2_646 ? CL1 C6 C2 118.81(3) 2_646 2_646 2_646 ? CL1 C6 C3 118.18(4) 2_646 2_646 2_646 ? CL1 C6 C4 117.61(4) 2_646 2_646 2_646 ? CL1 C6 C7 96.44(5) 2_646 2_646 2_646 ? CL1 C6 C8 73.97(5) 2_646 2_646 2_646 ? CL1 C6 C8 109.26(6) 2_646 2_646 2_646 ? CL1 C6 H2 134.6(3) 2_646 2_646 2_646 no CL1 C6 H2 53.3(3) 2_646 2_646 2_646 no CL1 C6 H3 52.3(3) 2_646 2_646 2_646 no CL1 C6 H3 158.4(4) 2_646 2_646 2_646 no CL1 C6 H4 114.39(12) 2_646 2_646 2_646 no CL1 C6 H5 86.2(7) 2_646 2_646 2_646 no CL1 C6 H6 24.1(11) 2_646 2_646 2_646 no CL1 C6 H6 117.3(11) 2_646 2_646 2_646 no CL1 C6 H7 65.6(4) 2_646 2_646 2_646 no CL1 C6 H7 124.8(4) 2_646 2_646 2_646 no CL1 C6 H8 83.9(4) 2_646 2_646 2_646 no CL1 C6 H8 43.6(4) 2_646 2_646 2_646 no CL1 C6 O1 91.35(4) 2_656 2_656 2_656 ? CL1 C6 N2 109.77(4) 2_656 2_656 2_656 ? CL1 C6 C1 112.80(4) 2_656 2_656 2_656 ? CL1 C6 C2 118.83(3) 2_656 2_656 2_656 ? CL1 C6 C3 118.21(4) 2_656 2_656 2_656 ? CL1 C6 C4 117.62(4) 2_656 2_656 2_656 ? CL1 C6 C7 96.41(5) 2_656 2_656 2_656 ? CL1 C6 C8 109.23(6) 2_656 2_656 2_656 ? CL1 C6 C8 73.94(5) 2_656 2_656 2_656 ? CL1 C6 H2 53.3(3) 2_656 2_656 2_656 no CL1 C6 H2 134.6(3) 2_656 2_656 2_656 no CL1 C6 H3 158.4(4) 2_656 2_656 2_656 no CL1 C6 H3 52.3(3) 2_656 2_656 2_656 no CL1 C6 H4 114.43(12) 2_656 2_656 2_656 no CL1 C6 H5 86.2(7) 2_656 2_656 2_656 no CL1 C6 H6 117.2(11) 2_656 2_656 2_656 no CL1 C6 H6 24.1(11) 2_656 2_656 2_656 no CL1 C6 H7 124.8(4) 2_656 2_656 2_656 no CL1 C6 H7 65.6(4) 2_656 2_656 2_656 no CL1 C6 H8 43.6(4) 2_656 2_656 2_656 no CL1 C6 H8 83.8(4) 2_656 2_656 2_656 no O1 C6 N2 132.68(9) 1_655 1_655 1_655 ? O1 C6 C1 123.72(7) 1_655 1_655 1_655 ? O1 C6 C2 86.37(6) 1_655 1_655 1_655 ? O1 C6 C3 75.77(7) 1_655 1_655 1_655 ? O1 C6 C4 103.20(12) 1_655 1_655 1_655 ? O1 C6 C7 163.81(9) 1_655 1_655 1_655 ? O1 C6 C8 158.89(4) 1_655 1_655 1_655 ? O1 C6 C8 158.90(4) 1_655 1_655 1_655 ? O1 C6 H2 48.2(3) 1_655 1_655 1_655 no O1 C6 H2 48.2(3) 1_655 1_655 1_655 no O1 C6 H3 69.0(4) 1_655 1_655 1_655 no O1 C6 H3 69.0(4) 1_655 1_655 1_655 no O1 C6 H4 56.2(4) 1_655 1_655 1_655 no O1 C6 H5 10.6(15) 1_655 1_655 1_655 no O1 C6 H6 115.4(11) 1_655 1_655 1_655 no O1 C6 H6 115.4(11) 1_655 1_655 1_655 no O1 C6 H7 143.3(4) 1_655 1_655 1_655 no O1 C6 H7 143.3(4) 1_655 1_655 1_655 no O1 C6 H8 113.9(3) 1_655 1_655 1_655 no O1 C6 H8 113.9(3) 1_655 1_655 1_655 no N2 C6 C1 8.95(4) . . . ? N2 C6 C2 46.30(5) . . . ? N2 C6 C3 56.91(7) . . . ? N2 C6 C4 29.47(8) . . . ? N2 C6 C7 31.14(5) . . . ? N2 C6 C8 45.08(5) . . . ? N2 C6 C8 45.09(5) . . . ? N2 C6 H2 113.3(3) . . . no N2 C6 H2 113.3(3) . . . no N2 C6 H3 90.7(4) . . . no N2 C6 H3 90.7(4) . . . no N2 C6 H4 76.4(4) . . . no N2 C6 H5 143.3(15) . . . no N2 C6 H6 92.4(11) . . . no N2 C6 H6 92.4(11) . . . no N2 C6 H7 46.2(3) . . . no N2 C6 H7 46.2(3) . . . no N2 C6 H8 110.2(3) . . . no N2 C6 H8 110.2(3) . . . no C1 C6 C2 37.35(4) . . . ? C1 C6 C3 47.96(6) . . . ? C1 C6 C4 20.52(8) . . . ? C1 C6 C7 40.09(5) . . . ? C1 C6 C8 53.03(5) . . . ? C1 C6 C8 53.04(5) . . . ? C1 C6 H2 107.9(3) . . . no C1 C6 H2 107.9(3) . . . no C1 C6 H3 86.5(4) . . . no C1 C6 H3 86.5(4) . . . no C1 C6 H4 67.5(4) . . . no C1 C6 H5 134.4(15) . . . no C1 C6 H6 97.9(11) . . . no C1 C6 H6 97.9(11) . . . no C1 C6 H7 52.1(3) . . . no C1 C6 H7 52.2(3) . . . no C1 C6 H8 118.4(3) . . . no C1 C6 H8 118.5(3) . . . no C2 C6 C3 10.60(5) . . . ? C2 C6 C4 16.83(8) . . . ? C2 C6 C7 77.44(7) . . . ? C2 C6 C8 87.64(6) . . . ? C2 C6 C8 87.66(6) . . . ? C2 C6 H2 83.3(3) . . . no C2 C6 H2 83.2(3) . . . no C2 C6 H3 70.4(3) . . . no C2 C6 H3 70.4(3) . . . no C2 C6 H4 30.1(4) . . . no C2 C6 H5 97.0(15) . . . no C2 C6 H6 118.5(11) . . . no C2 C6 H6 118.6(11) . . . no C2 C6 H7 81.3(3) . . . no C2 C6 H7 81.3(3) . . . no C2 C6 H8 150.2(3) . . . no C2 C6 H8 150.2(3) . . . no C3 C6 C4 27.43(8) . . . ? C3 C6 C7 88.04(8) . . . ? C3 C6 C8 97.59(8) . . . ? C3 C6 C8 97.60(8) . . . ? C3 C6 H2 76.3(3) . . . no C3 C6 H2 76.3(3) . . . no C3 C6 H3 66.9(3) . . . no C3 C6 H3 67.0(3) . . . no C3 C6 H4 19.5(4) . . . no C3 C6 H5 86.4(15) . . . no C3 C6 H6 122.9(11) . . . no C3 C6 H6 122.9(11) . . . no C3 C6 H7 90.1(3) . . . no C3 C6 H7 90.1(3) . . . no C3 C6 H8 156.5(4) . . . no C3 C6 H8 156.5(4) . . . no C4 C6 C7 60.61(10) . . . ? C4 C6 C8 71.90(10) . . . ? C4 C6 C8 71.91(10) . . . ? C4 C6 H2 94.5(3) . . . no C4 C6 H2 94.5(3) . . . no C4 C6 H3 77.1(3) . . . no C4 C6 H3 77.1(3) . . . no C4 C6 H4 47.0(4) . . . no C4 C6 H5 113.8(15) . . . no C4 C6 H6 110.0(11) . . . no C4 C6 H6 110.0(11) . . . no C4 C6 H7 67.6(3) . . . no C4 C6 H7 67.7(3) . . . no C4 C6 H8 136.8(3) . . . no C4 C6 H8 136.8(3) . . . no C7 C6 C8 22.50(4) . . . ? C7 C6 C8 22.50(4) . . . ? C7 C6 H2 128.2(3) . . . no C7 C6 H2 128.2(3) . . . no C7 C6 H3 104.9(4) . . . no C7 C6 H3 104.9(4) . . . no C7 C6 H4 107.6(4) . . . no C7 C6 H5 174.4(15) . . . no C7 C6 H6 73.4(11) . . . no C7 C6 H6 73.4(11) . . . no C7 C6 H7 34.2(4) . . . no C7 C6 H7 34.2(4) . . . no C7 C6 H8 81.1(3) . . . no C7 C6 H8 81.1(3) . . . no C8 C6 C8 40.47(7) . . . ? C8 C6 H2 150.5(3) . . . no C8 C6 H2 111.0(3) . . . no C8 C6 H3 89.9(4) . . . no C8 C6 H3 127.4(4) . . . no C8 C6 H4 115.8(4) . . . no C8 C6 H5 159.3(3) . . . no C8 C6 H6 51.3(11) . . . no C8 C6 H6 85.1(11) . . . no C8 C6 H7 15.7(3) . . . no C8 C6 H7 54.9(4) . . . no C8 C6 H8 80.1(3) . . . no C8 C6 H8 65.4(3) . . . no C8 C6 H2 110.9(3) 4 4 4 no C8 C6 H2 150.5(3) 4 4 4 no C8 C6 H3 127.4(4) 4 4 4 no C8 C6 H3 89.9(4) 4 4 4 no C8 C6 H4 115.8(4) 4 4 4 no C8 C6 H5 159.3(3) 4 4 4 no C8 C6 H6 85.1(11) 4 4 4 no C8 C6 H6 51.3(11) 4 4 4 no C8 C6 H7 55.0(4) 4 4 4 no C8 C6 H7 15.6(3) 4 4 4 no C8 C6 H8 65.4(3) 4 4 4 no C8 C6 H8 80.1(3) 4 4 4 no H2 C6 H2 95.8(7) 2_757 2_757 2_757 no H2 C6 H3 113.0(5) 2_757 2_757 2_757 no H2 C6 H3 23.8(4) 2_757 2_757 2_757 no H2 C6 H4 64.4(4) 2_757 2_757 2_757 no H2 C6 H5 50.1(5) 2_757 2_757 2_757 no H2 C6 H6 154.2(11) 2_757 2_757 2_757 no H2 C6 H6 74.9(11) 2_757 2_757 2_757 no H2 C6 H7 159.4(5) 2_757 2_757 2_757 no H2 C6 H7 95.9(5) 2_757 2_757 2_757 no H2 C6 H8 94.2(5) 2_757 2_757 2_757 no H2 C6 H8 126.5(5) 2_757 2_757 2_757 no H2 C6 H3 23.8(4) 3_757 3_757 3_757 no H2 C6 H3 113.0(5) 3_757 3_757 3_757 no H2 C6 H4 64.3(4) 3_757 3_757 3_757 no H2 C6 H5 50.1(5) 3_757 3_757 3_757 no H2 C6 H6 74.9(11) 3_757 3_757 3_757 no H2 C6 H6 154.2(11) 3_757 3_757 3_757 no H2 C6 H7 95.9(5) 3_757 3_757 3_757 no H2 C6 H7 159.4(5) 3_757 3_757 3_757 no H2 C6 H8 126.5(5) 3_757 3_757 3_757 no H2 C6 H8 94.2(5) 3_757 3_757 3_757 no H3 C6 H3 123.2(6) 2_747 2_747 2_747 no H3 C6 H4 62.6(3) 2_747 2_747 2_747 no H3 C6 H5 72.9(7) 2_747 2_747 2_747 no H3 C6 H6 66.9(11) 2_747 2_747 2_747 no H3 C6 H6 169.5(12) 2_747 2_747 2_747 no H3 C6 H7 74.3(5) 2_747 2_747 2_747 no H3 C6 H7 135.9(5) 2_747 2_747 2_747 no H3 C6 H8 136.0(5) 2_747 2_747 2_747 no H3 C6 H8 95.7(5) 2_747 2_747 2_747 no H3 C6 H4 62.7(3) 2_757 2_757 2_757 no H3 C6 H5 72.9(7) 2_757 2_757 2_757 no H3 C6 H6 169.5(12) 2_757 2_757 2_757 no H3 C6 H6 66.9(11) 2_757 2_757 2_757 no H3 C6 H7 135.9(5) 2_757 2_757 2_757 no H3 C6 H7 74.3(5) 2_757 2_757 2_757 no H3 C6 H8 95.7(5) 2_757 2_757 2_757 no H3 C6 H8 135.9(5) 2_757 2_757 2_757 no H4 C6 H5 66.9(16) . . . no H4 C6 H6 127.9(11) . . . no H4 C6 H6 127.9(11) . . . no H4 C6 H7 106.1(5) . . . no H4 C6 H7 106.1(5) . . . no H4 C6 H8 157.9(4) . . . no H4 C6 H8 157.9(4) . . . no H5 C6 H6 109.8(14) . . . no H5 C6 H6 109.8(14) . . . no H5 C6 H7 145.7(4) . . . no H5 C6 H7 145.7(4) . . . no H5 C6 H8 104.1(15) . . . no H5 C6 H8 104.1(15) . . . no H6 C6 H6 102.9(22) . . . no H6 C6 H7 46.2(11) . . . no H6 C6 H7 100.7(12) . . . no H6 C6 H8 73.8(12) . . . no H6 C6 H8 33.9(11) . . . no H6 C6 H7 100.7(12) 4 4 4 no H6 C6 H7 46.2(11) 4 4 4 no H6 C6 H8 33.9(11) 4 4 4 no H6 C6 H8 73.7(12) 4 4 4 no H7 C6 H7 68.4(8) . . . no H7 C6 H8 92.5(5) . . . no H7 C6 H8 69.4(4) . . . no H7 C6 H8 69.3(4) 4 4 4 no H7 C6 H8 92.5(5) 4 4 4 no H8 C6 H8 41.2(8) 2_656 2_656 2_656 no CL2 C7 CL2 113.49(4) . . . ? CL2 C7 O1 72.64(3) . . . ? CL2 C7 N1 58.71(3) . . . ? CL2 C7 N2 56.74(3) . . . ? CL2 C7 C1 61.70(3) . . . ? CL2 C7 C3 58.59(3) . . . ? CL2 C7 C4 61.36(3) . . . ? CL2 C7 C6 74.43(4) . . . ? CL2 C7 C8 62.46(8) . . . ? CL2 C7 C8 175.71(11) . . . ? CL2 C7 C9 93.26(5) . . . ? CL2 C7 C9 153.22(6) . . . ? CL2 C7 C10 123.25(3) . . . ? CL2 C7 H5 73.8(2) . . . no CL2 C7 H5 92.7(2) . . . no CL2 C7 H6 67.1(4) . . . no CL2 C7 H6 94.0(4) . . . no CL2 C7 H7 37.7(5) . . . no CL2 C7 H7 151.1(5) . . . no CL2 C7 H8 84.5(4) . . . no CL2 C7 H8 162.0(4) . . . no CL2 C7 O1 72.65(3) 1_565 1_565 1_565 ? CL2 C7 N1 58.74(3) 1_565 1_565 1_565 ? CL2 C7 N2 56.77(3) 1_565 1_565 1_565 ? CL2 C7 C1 61.73(3) 1_565 1_565 1_565 ? CL2 C7 C3 58.63(3) 1_565 1_565 1_565 ? CL2 C7 C4 61.39(3) 1_565 1_565 1_565 ? CL2 C7 C6 74.45(4) 1_565 1_565 1_565 ? CL2 C7 C8 175.71(11) 1_565 1_565 1_565 ? CL2 C7 C8 62.46(8) 1_565 1_565 1_565 ? CL2 C7 C9 153.19(6) 1_565 1_565 1_565 ? CL2 C7 C9 93.24(5) 1_565 1_565 1_565 ? CL2 C7 C10 123.22(3) 1_565 1_565 1_565 ? CL2 C7 H5 73.8(2) 1_565 1_565 1_565 no CL2 C7 H5 92.7(2) 1_565 1_565 1_565 no CL2 C7 H6 94.0(4) 1_565 1_565 1_565 no CL2 C7 H6 67.1(4) 1_565 1_565 1_565 no CL2 C7 H7 151.1(5) 1_565 1_565 1_565 no CL2 C7 H7 37.7(5) 1_565 1_565 1_565 no CL2 C7 H8 162.0(4) 1_565 1_565 1_565 no CL2 C7 H8 84.5(4) 1_565 1_565 1_565 no O1 C7 N1 38.27(4) . . . ? O1 C7 N2 58.18(9) . . . ? O1 C7 C1 26.82(5) . . . ? O1 C7 C3 75.26(6) . . . ? O1 C7 C4 86.16(7) . . . ? O1 C7 C6 117.76(8) . . . ? O1 C7 C8 104.18(11) . . . ? O1 C7 C8 104.19(11) . . . ? O1 C7 C9 116.55(8) . . . ? O1 C7 C9 116.56(8) . . . ? O1 C7 C10 121.06(9) . . . ? O1 C7 H5 116.4(4) . . . no O1 C7 H5 37.8(4) . . . no O1 C7 H6 127.6(4) . . . no O1 C7 H6 127.6(4) . . . no O1 C7 H7 90.9(5) . . . no O1 C7 H7 91.0(5) . . . no O1 C7 H8 113.8(3) . . . no O1 C7 H8 113.8(3) . . . no N1 C7 N2 19.90(7) . . . ? N1 C7 C1 11.45(5) . . . ? N1 C7 C3 36.99(4) . . . ? N1 C7 C4 47.89(6) . . . ? N1 C7 C6 79.48(6) . . . ? N1 C7 C8 116.98(10) . . . ? N1 C7 C8 117.01(10) . . . ? N1 C7 C9 144.14(7) . . . ? N1 C7 C9 144.15(7) . . . ? N1 C7 C10 159.33(9) . . . ? N1 C7 H5 78.1(4) . . . no N1 C7 H5 76.1(4) . . . no N1 C7 H6 91.1(4) . . . no N1 C7 H6 91.1(4) . . . no N1 C7 H7 93.6(5) . . . no N1 C7 H7 93.6(5) . . . no N1 C7 H8 136.9(4) . . . no N1 C7 H8 136.9(4) . . . no N2 C7 C1 31.35(8) . . . ? N2 C7 C3 17.09(7) . . . ? N2 C7 C4 27.98(8) . . . ? N2 C7 C6 59.58(9) . . . ? N2 C7 C8 119.19(9) . . . ? N2 C7 C8 119.23(9) . . . ? N2 C7 C9 150.00(5) . . . ? N2 C7 C9 150.01(5) . . . ? N2 C7 C10 179.2(1) . . . ? N2 C7 H5 58.2(4) . . . no N2 C7 H5 96.0(4) . . . no N2 C7 H6 72.0(4) . . . no N2 C7 H6 72.0(4) . . . no N2 C7 H7 94.4(5) . . . no N2 C7 H7 94.4(5) . . . no N2 C7 H8 141.2(4) . . . no N2 C7 H8 141.2(4) . . . no C1 C7 C3 48.44(6) . . . ? C1 C7 C4 59.34(7) . . . ? C1 C7 C6 90.94(8) . . . ? C1 C7 C8 114.14(11) . . . ? C1 C7 C8 114.17(11) . . . ? C1 C7 C9 137.19(8) . . . ? C1 C7 C9 137.20(8) . . . ? C1 C7 C10 147.88(10) . . . ? C1 C7 H5 89.6(4) . . . no C1 C7 H5 64.6(4) . . . no C1 C7 H6 102.1(4) . . . no C1 C7 H6 102.1(4) . . . no C1 C7 H7 92.9(5) . . . no C1 C7 H7 92.9(5) . . . no C1 C7 H8 131.4(4) . . . no C1 C7 H8 131.4(4) . . . no C3 C7 C4 10.90(5) . . . ? C3 C7 C6 42.49(6) . . . ? C3 C7 C8 118.06(9) . . . ? C3 C7 C8 118.10(9) . . . ? C3 C7 C9 146.22(6) . . . ? C3 C7 C9 146.23(6) . . . ? C3 C7 C10 163.68(10) . . . ? C3 C7 H5 41.2(4) . . . no C3 C7 H5 113.1(4) . . . no C3 C7 H6 55.7(4) . . . no C3 C7 H6 55.7(4) . . . no C3 C7 H7 94.7(5) . . . no C3 C7 H7 94.7(5) . . . no C3 C7 H8 138.4(4) . . . no C3 C7 H8 138.4(4) . . . no C4 C7 C6 31.60(6) . . . ? C4 C7 C8 115.94(10) . . . ? C4 C7 C8 115.98(10) . . . ? C4 C7 C9 140.36(8) . . . ? C4 C7 C9 140.37(8) . . . ? C4 C7 C10 152.78(11) . . . ? C4 C7 H5 30.3(4) . . . no C4 C7 H5 124.0(4) . . . no C4 C7 H6 45.5(4) . . . no C4 C7 H6 45.5(4) . . . no C4 C7 H7 94.6(5) . . . no C4 C7 H7 94.7(5) . . . no C4 C7 H8 133.9(4) . . . no C4 C7 H8 133.9(4) . . . no C6 C7 C8 105.04(11) . . . ? C6 C7 C8 105.06(11) . . . ? C6 C7 C9 116.63(9) . . . ? C6 C7 C9 116.64(9) . . . ? C6 C7 C10 121.18(10) . . . ? C6 C7 H5 1.3(4) . . . no C6 C7 H5 155.6(4) . . . no C6 C7 H6 19.6(4) . . . no C6 C7 H6 19.6(4) . . . no C6 C7 H7 93.6(5) . . . no C6 C7 H7 93.6(5) . . . no C6 C7 H8 113.8(4) . . . no C6 C7 H8 113.8(4) . . . no C8 C7 C8 121.6(2) . . . ? C8 C7 C9 30.81(9) . . . ? C8 C7 C9 90.78(12) . . . ? C8 C7 C10 60.80(9) . . . ? C8 C7 H5 105.6(2) . . . no C8 C7 H5 86.3(2) . . . no C8 C7 H6 85.7(4) . . . no C8 C7 H6 113.8(4) . . . no C8 C7 H7 24.8(5) . . . no C8 C7 H7 146.3(5) . . . no C8 C7 H8 22.0(4) . . . no C8 C7 H8 99.6(4) . . . no C8 C7 C9 90.75(12) 4 4 4 ? C8 C7 C9 30.78(9) 4 4 4 ? C8 C7 C10 60.76(9) 4 4 4 ? C8 C7 H5 105.6(2) 4 4 4 no C8 C7 H5 86.2(2) 4 4 4 no C8 C7 H6 113.8(4) 4 4 4 no C8 C7 H6 85.7(4) 4 4 4 no C8 C7 H7 146.3(5) 4 4 4 no C8 C7 H7 24.8(5) 4 4 4 no C8 C7 H8 99.5(4) 4 4 4 no C8 C7 H8 22.0(4) 4 4 4 no C9 C7 C9 59.97(10) . . . ? C9 C7 C10 29.99(5) . . . ? C9 C7 H5 117.7(3) . . . no C9 C7 H5 84.2(3) . . . no C9 C7 H6 98.1(4) . . . no C9 C7 H6 114.5(4) . . . no C9 C7 H7 55.6(5) . . . no C9 C7 H7 115.5(5) . . . no C9 C7 H8 8.8(4) . . . no C9 C7 H8 68.8(4) . . . no C9 C7 C10 29.98(5) 4 4 4 ? C9 C7 H5 117.7(3) 4 4 4 no C9 C7 H5 84.2(3) 4 4 4 no C9 C7 H6 114.6(4) 4 4 4 no C9 C7 H6 98.1(4) 4 4 4 no C9 C7 H7 115.6(5) 4 4 4 no C9 C7 H7 55.6(5) 4 4 4 no C9 C7 H8 68.8(4) 4 4 4 no C9 C7 H8 8.8(4) 4 4 4 no C10 C7 H5 122.5(4) . . . no C10 C7 H5 83.2(4) . . . no C10 C7 H6 108.8(4) . . . no C10 C7 H6 108.8(4) . . . no C10 C7 H7 85.6(5) . . . no C10 C7 H7 85.5(5) . . . no C10 C7 H8 38.8(4) . . . no C10 C7 H8 38.8(4) . . . no H5 C7 H5 154.2(7) . . . no H5 C7 H6 20.4(5) . . . no H5 C7 H6 20.4(5) . . . no H5 C7 H7 93.7(5) . . . no H5 C7 H7 93.7(5) . . . no H5 C7 H8 114.7(4) . . . no H5 C7 H8 114.7(4) . . . no H5 C7 H6 159.7(4) 1_455 1_455 1_455 no H5 C7 H6 159.7(4) 1_455 1_455 1_455 no H5 C7 H7 87.9(5) 1_455 1_455 1_455 no H5 C7 H7 87.9(5) 1_455 1_455 1_455 no H5 C7 H8 84.8(4) 1_455 1_455 1_455 no H5 C7 H8 84.8(4) 1_455 1_455 1_455 no H6 C7 H6 31.8(8) . . . no H6 C7 H7 77.1(6) . . . no H6 C7 H7 108.8(7) . . . no H6 C7 H8 94.5(5) . . . no H6 C7 H8 115.0(5) . . . no H6 C7 H7 108.8(7) 4 4 4 no H6 C7 H7 77.1(6) 4 4 4 no H6 C7 H8 114.9(5) 4 4 4 no H6 C7 H8 94.5(5) 4 4 4 no H7 C7 H7 170.6(10) . . . no H7 C7 H8 46.8(6) . . . no H7 C7 H8 124.3(7) . . . no H7 C7 H8 124.3(7) 4 4 4 no H7 C7 H8 46.8(6) 4 4 4 no H8 C7 H8 77.5(8) . . . no CL1 C8 CL2 160.43(5) . . . ? CL1 C8 O1 119.27(6) . . . ? CL1 C8 N2 133.36(7) . . . ? CL1 C8 C1 133.93(6) . . . ? CL1 C8 C4 135.82(6) . . . ? CL1 C8 C6 118.92(6) . . . ? CL1 C8 C7 101.80(10) . . . ? CL1 C8 C8 72.57(3) . . . ? CL1 C8 C9 17.26(9) . . . ? CL1 C8 C9 42.24(4) . . . ? CL1 C8 C10 12.64(3) . . . ? CL1 C8 H2 122.8(3) . . . no CL1 C8 H5 88.1(3) . . . no CL1 C8 H6 116.7(3) . . . no CL1 C8 H6 104.6(3) . . . no CL1 C8 H7 139.4(12) . . . no CL1 C8 H7 81.7(3) . . . no CL1 C8 H7 115.8(3) . . . no CL1 C8 H8 41.6(7) . . . no CL1 C8 H8 42.6(3) . . . no CL1 C8 H8 79.3(3) . . . no CL1 C8 H8 74.3(3) . . . no CL2 C8 O1 73.02(4) . . . ? CL2 C8 N2 66.20(4) . . . ? CL2 C8 C1 62.84(3) . . . ? CL2 C8 C4 62.02(3) . . . ? CL2 C8 C6 74.10(4) . . . ? CL2 C8 C7 97.76(9) . . . ? CL2 C8 C8 126.98(3) . . . ? CL2 C8 C9 143.18(12) . . . ? CL2 C8 C9 157.30(7) . . . ? CL2 C8 C10 173.04(7) . . . ? CL2 C8 H2 52.8(3) . . . no CL2 C8 H5 96.9(3) . . . no CL2 C8 H6 71.8(4) . . . no CL2 C8 H6 89.6(3) . . . no CL2 C8 H7 21.0(12) . . . no CL2 C8 H7 117.9(3) . . . no CL2 C8 H7 44.7(3) . . . no CL2 C8 H8 118.9(7) . . . no CL2 C8 H8 156.9(3) . . . no CL2 C8 H8 81.1(3) . . . no CL2 C8 H8 103.2(3) . . . no O1 C8 N2 43.81(5) . . . ? O1 C8 C1 21.40(4) . . . ? O1 C8 C4 64.56(5) . . . ? O1 C8 C6 88.89(5) . . . ? O1 C8 C7 52.19(10) . . . ? O1 C8 C8 68.86(4) . . . ? O1 C8 C9 128.8(1) . . . ? O1 C8 C9 90.33(7) . . . ? O1 C8 C10 111.17(8) . . . ? O1 C8 H2 46.6(3) . . . no O1 C8 H5 36.4(4) . . . no O1 C8 H6 101.7(4) . . . no O1 C8 H6 91.0(3) . . . no O1 C8 H7 86.8(12) . . . no O1 C8 H7 62.4(3) . . . no O1 C8 H7 105.0(3) . . . no O1 C8 H8 136.1(5) . . . no O1 C8 H8 90.0(3) . . . no O1 C8 H8 127.9(3) . . . no O1 C8 H8 148.9(3) . . . no N2 C8 C1 23.67(4) . . . ? N2 C8 C4 21.40(4) . . . ? N2 C8 C6 45.08(5) . . . ? N2 C8 C7 31.56(7) . . . ? N2 C8 C8 60.78(5) . . . ? N2 C8 C9 150.62(13) . . . ? N2 C8 C9 91.12(7) . . . ? N2 C8 C10 120.72(8) . . . ? N2 C8 H2 79.1(3) . . . no N2 C8 H5 78.5(3) . . . no N2 C8 H6 58.2(4) . . . no N2 C8 H6 49.3(3) . . . no N2 C8 H7 87.2(12) . . . no N2 C8 H7 51.7(3) . . . no N2 C8 H7 110.9(3) . . . no N2 C8 H8 174.9(7) . . . no N2 C8 H8 90.7(3) . . . no N2 C8 H8 147.3(3) . . . no N2 C8 H8 105.8(3) . . . no C1 C8 C4 43.46(5) . . . ? C1 C8 C6 68.32(6) . . . ? C1 C8 C7 43.12(9) . . . ? C1 C8 C8 68.32(4) . . . ? C1 C8 C9 147.5(1) . . . ? C1 C8 C9 96.18(7) . . . ? C1 C8 C10 123.01(8) . . . ? C1 C8 H2 57.4(3) . . . no C1 C8 H5 57.7(4) . . . no C1 C8 H6 80.5(4) . . . no C1 C8 H6 72.8(3) . . . no C1 C8 H7 81.3(12) . . . no C1 C8 H7 59.8(3) . . . no C1 C8 H7 103.8(3) . . . no C1 C8 H8 157.1(5) . . . no C1 C8 H8 95.8(3) . . . no C1 C8 H8 136.3(3) . . . no C1 C8 H8 129.3(3) . . . no C4 C8 C6 25.28(5) . . . ? C4 C8 C7 42.22(8) . . . ? C4 C8 C8 68.86(4) . . . ? C4 C8 C9 149.61(13) . . . ? C4 C8 C9 97.17(7) . . . ? C4 C8 C10 124.59(8) . . . ? C4 C8 H2 92.4(3) . . . no C4 C8 H5 99.9(3) . . . no C4 C8 H6 37.1(4) . . . no C4 C8 H6 34.4(3) . . . no C4 C8 H7 82.1(12) . . . no C4 C8 H7 60.8(3) . . . no C4 C8 H7 103.6(3) . . . no C4 C8 H8 159.4(5) . . . no C4 C8 H8 96.8(3) . . . no C4 C8 H8 136.5(3) . . . no C4 C8 H8 86.1(3) . . . no C6 C8 C7 52.46(10) . . . ? C6 C8 C8 69.78(4) . . . ? C6 C8 C9 127.7(1) . . . ? C6 C8 C9 90.64(7) . . . ? C6 C8 C10 111.04(8) . . . ? C6 C8 H2 115.8(3) . . . no C6 C8 H5 122.2(3) . . . no C6 C8 H6 14.6(4) . . . no C6 C8 H6 15.7(3) . . . no C6 C8 H7 89.8(11) . . . no C6 C8 H7 64.6(3) . . . no C6 C8 H7 105.1(3) . . . no C6 C8 H8 134.5(5) . . . no C6 C8 H8 90.4(3) . . . no C6 C8 H8 126.4(3) . . . no C6 C8 H8 61.0(3) . . . no C7 C8 C8 29.23(9) . . . ? C7 C8 C9 119.1(2) . . . ? C7 C8 C9 59.56(10) . . . ? C7 C8 C10 89.16(11) . . . ? C7 C8 H2 98.2(4) . . . no C7 C8 H5 73.6(3) . . . no C7 C8 H6 66.8(4) . . . no C7 C8 H6 45.3(3) . . . no C7 C8 H7 118.7(12) . . . no C7 C8 H7 20.2(3) . . . no C7 C8 H7 142.4(3) . . . no C7 C8 H8 143.4(7) . . . no C7 C8 H8 59.2(3) . . . no C7 C8 H8 178.7(3) . . . no C7 C8 H8 99.3(4) . . . no C8 C8 C9 89.83(10) 4 4 4 ? C8 C8 C9 30.33(5) 4 4 4 ? C8 C8 C10 59.94(5) 4 4 4 ? C8 C8 H2 113.6(3) 4 4 4 no C8 C8 H5 72.42(12) 4 4 4 no C8 C8 H6 81.3(4) 4 4 4 no C8 C8 H6 56.4(3) 4 4 4 no C8 C8 H7 147.9(12) 4 4 4 no C8 C8 H7 9.1(3) 4 4 4 no C8 C8 H7 171.6(3) 4 4 4 no C8 C8 H8 114.2(7) 4 4 4 no C8 C8 H8 29.9(3) 4 4 4 no C8 C8 H8 151.9(3) 4 4 4 no C8 C8 H8 91.9(4) 4 4 4 no C9 C8 C9 59.50(12) . . . ? C9 C8 C10 29.90(9) . . . ? C9 C8 H2 116.5(3) . . . no C9 C8 H5 93.6(4) . . . no C9 C8 H6 121.0(4) . . . no C9 C8 H6 115.7(3) . . . no C9 C8 H7 122.2(12) . . . no C9 C8 H7 98.9(3) . . . no C9 C8 H7 98.5(3) . . . no C9 C8 H8 24.3(7) . . . no C9 C8 H8 59.9(3) . . . no C9 C8 H8 62.0(4) . . . no C9 C8 H8 72.7(3) . . . no C9 C8 C10 29.61(5) 4 4 4 ? C9 C8 H2 124.8(3) 4 4 4 no C9 C8 H5 76.8(2) 4 4 4 no C9 C8 H6 97.4(4) 4 4 4 no C9 C8 H6 75.0(3) 4 4 4 no C9 C8 H7 177.1(12) 4 4 4 no C9 C8 H7 39.4(3) 4 4 4 no C9 C8 H7 158.0(3) 4 4 4 no C9 C8 H8 83.8(7) 4 4 4 no C9 C8 H8 0.4(3) 4 4 4 no C9 C8 H8 121.6(3) 4 4 4 no C9 C8 H8 83.0(4) 4 4 4 no C10 C8 H2 125.7(3) . . . no C10 C8 H5 84.3(3) . . . no C10 C8 H6 111.9(4) . . . no C10 C8 H6 95.8(3) . . . no C10 C8 H7 152.0(12) . . . no C10 C8 H7 69.0(3) . . . no C10 C8 H7 128.4(3) . . . no C10 C8 H8 54.2(7) . . . no C10 C8 H8 30.0(3) . . . no C10 C8 H8 91.9(3) . . . no C10 C8 H8 76.2(3) . . . no H2 C8 H5 48.0(4) 3_657 3_657 3_657 no H2 C8 H6 120.4(5) 3_657 3_657 3_657 no H2 C8 H6 126.7(4) 3_657 3_657 3_657 no H2 C8 H7 52.6(12) 3_657 3_657 3_657 no H2 C8 H7 108.4(5) 3_657 3_657 3_657 no H2 C8 H7 62.0(5) 3_657 3_657 3_657 no H2 C8 H8 104.0(7) 3_657 3_657 3_657 no H2 C8 H8 124.7(4) 3_657 3_657 3_657 no H2 C8 H8 81.7(4) 3_657 3_657 3_657 no H2 C8 H8 152.1(5) 3_657 3_657 3_657 no H5 C8 H6 136.3(5) 1_455 1_455 1_455 no H5 C8 H6 118.7(4) 1_455 1_455 1_455 no H5 C8 H7 100.6(12) 1_455 1_455 1_455 no H5 C8 H7 71.4(3) 1_455 1_455 1_455 no H5 C8 H7 106.2(3) 1_455 1_455 1_455 no H5 C8 H8 100.4(6) 1_455 1_455 1_455 no H5 C8 H8 76.7(4) 1_455 1_455 1_455 no H5 C8 H8 107.2(3) 1_455 1_455 1_455 no H5 C8 H8 159.5(4) 1_455 1_455 1_455 no H6 C8 H6 24.9(7) . . . no H6 C8 H7 83.6(11) . . . no H6 C8 H7 77.2(5) . . . no H6 C8 H7 94.9(5) . . . no H6 C8 H8 122.2(6) . . . no H6 C8 H8 97.3(5) . . . no H6 C8 H8 112.2(5) . . . no H6 C8 H8 49.7(4) . . . no H6 C8 H7 105.5(12) 4 4 4 no H6 C8 H7 52.7(4) 4 4 4 no H6 C8 H7 119.5(5) 4 4 4 no H6 C8 H8 128.6(6) 4 4 4 no H6 C8 H8 74.8(4) 4 4 4 no H6 C8 H8 133.9(4) 4 4 4 no H6 C8 H8 57.9(5) 4 4 4 no H7 C8 H7 138.8(15) . . . no H7 C8 H7 23.7(10) . . . no H7 C8 H8 97.9(14) . . . no H7 C8 H8 176.9(12) . . . no H7 C8 H8 60.2(12) . . . no H7 C8 H8 99.7(12) . . . no H7 C8 H7 162.5(6) 4 4 4 no H7 C8 H8 123.2(8) 4 4 4 no H7 C8 H8 39.0(4) 4 4 4 no H7 C8 H8 160.9(4) 4 4 4 no H7 C8 H8 95.2(5) 4 4 4 no H7 C8 H8 74.2(8) 4_545 4_545 4_545 no H7 C8 H8 158.4(4) 4_545 4_545 4_545 no H7 C8 H8 36.5(4) 4_545 4_545 4_545 no H7 C8 H8 91.2(5) 4_545 4_545 4_545 no H8 C8 H8 84.2(10) . . . no H8 C8 H8 37.7(9) . . . no H8 C8 H8 73.5(7) . . . no H8 C8 H8 121.9(5) 4 4 4 no H8 C8 H8 83.1(4) 4 4 4 no H8 C8 H8 80.3(4) 4_545 4_545 4_545 no CL1 C9 CL1 101.21(6) . . . ? CL1 C9 N2 135.11(7) . . . ? CL1 C9 C7 123.76(8) . . . ? CL1 C9 C8 153.89(13) . . . ? CL1 C9 C8 94.07(7) . . . ? CL1 C9 C9 63.73(4) . . . ? CL1 C9 C9 93.64(7) . . . ? CL1 C9 C10 34.41(8) . . . ? CL1 C9 H6 129.1(3) . . . no CL1 C9 H6 53.3(3) . . . no CL1 C9 H7 176.8(7) . . . no CL1 C9 H7 94.5(3) . . . no CL1 C9 H7 144.9(3) . . . no CL1 C9 H8 87.4(12) . . . no CL1 C9 H8 55.6(3) . . . no CL1 C9 H8 108.7(3) . . . no CL1 C9 H8 60.7(3) . . . no CL1 C9 H8 94.4(3) . . . no CL1 C9 N2 103.36(5) 2_546 2_546 2_546 ? CL1 C9 C7 109.33(8) 2_546 2_546 2_546 ? CL1 C9 C8 93.00(12) 2_546 2_546 2_546 ? CL1 C9 C8 120.56(8) 2_546 2_546 2_546 ? CL1 C9 C9 123.89(3) 2_546 2_546 2_546 ? CL1 C9 C9 131.09(8) 2_546 2_546 2_546 ? CL1 C9 C10 117.1(1) 2_546 2_546 2_546 ? CL1 C9 H6 129.7(3) 2_546 2_546 2_546 no CL1 C9 H6 91.0(3) 2_546 2_546 2_546 no CL1 C9 H7 79.2(6) 2_546 2_546 2_546 no CL1 C9 H7 119.9(3) 2_546 2_546 2_546 no CL1 C9 H7 61.9(3) 2_546 2_546 2_546 no CL1 C9 H8 58.9(12) 2_546 2_546 2_546 no CL1 C9 H8 122.9(4) 2_546 2_546 2_546 no CL1 C9 H8 55.9(3) 2_546 2_546 2_546 no CL1 C9 H8 42.6(3) 2_546 2_546 2_546 no CL1 C9 H8 144.1(4) 2_546 2_546 2_546 no N2 C9 C7 11.35(3) . . . ? N2 C9 C8 18.79(8) . . . ? N2 C9 C8 41.04(4) . . . ? N2 C9 C9 71.38(4) . . . ? N2 C9 C9 97.66(7) . . . ? N2 C9 C10 100.70(11) . . . ? N2 C9 H6 41.0(3) . . . no N2 C9 H6 159.4(3) . . . no N2 C9 H7 42.0(7) . . . no N2 C9 H7 40.6(3) . . . no N2 C9 H7 80.0(3) . . . no N2 C9 H8 137.5(12) . . . no N2 C9 H8 79.5(3) . . . no N2 C9 H8 116.2(3) . . . no N2 C9 H8 122.7(3) . . . no N2 C9 H8 87.1(3) . . . no C7 C9 C8 30.14(8) . . . ? C7 C9 C8 29.69(4) . . . ? C7 C9 C9 60.03(5) . . . ? C7 C9 C9 99.75(9) . . . ? C7 C9 C10 89.35(12) . . . ? C7 C9 H6 44.2(3) . . . no C7 C9 H6 159.1(3) . . . no C7 C9 H7 53.3(7) . . . no C7 C9 H7 29.3(3) . . . no C7 C9 H7 91.3(3) . . . no C7 C9 H8 148.8(12) . . . no C7 C9 H8 68.2(3) . . . no C7 C9 H8 127.5(3) . . . no C7 C9 H8 120.3(3) . . . no C7 C9 H8 87.5(3) . . . no C8 C9 C8 59.82(11) . . . ? C8 C9 C9 90.17(10) . . . ? C8 C9 C9 93.31(13) . . . ? C8 C9 C10 119.5(2) . . . ? C8 C9 H6 40.9(3) . . . no C8 C9 H6 149.1(3) . . . no C8 C9 H7 23.2(7) . . . no C8 C9 H7 59.4(3) . . . no C8 C9 H7 61.2(3) . . . no C8 C9 H8 118.7(12) . . . no C8 C9 H8 98.3(3) . . . no C8 C9 H8 97.4(4) . . . no C8 C9 H8 123.9(3) . . . no C8 C9 H8 86.4(3) . . . no C8 C9 C9 30.34(5) 4 4 4 ? C8 C9 C9 104.25(9) 4 4 4 ? C8 C9 C10 59.66(10) 4 4 4 ? C8 C9 H6 61.2(3) 4 4 4 no C8 C9 H6 140.0(3) 4 4 4 no C8 C9 H7 83.0(7) 4 4 4 no C8 C9 H7 0.7(3) 4 4 4 no C8 C9 H7 121.0(3) 4 4 4 no C8 C9 H8 178.5(12) 4 4 4 no C8 C9 H8 38.5(3) 4 4 4 no C8 C9 H8 157.2(3) 4 4 4 no C8 C9 H8 108.1(4) 4 4 4 no C8 C9 H8 89.9(4) 4 4 4 no C9 C9 C9 104.54(6) 4 4 4 ? C9 C9 C10 29.32(10) 4 4 4 ? C9 C9 H6 83.4(3) 4 4 4 no C9 C9 H6 112.7(3) 4 4 4 no C9 C9 H7 113.3(7) 4 4 4 no C9 C9 H7 30.8(3) 4 4 4 no C9 C9 H7 151.4(3) 4 4 4 no C9 C9 H8 151.2(12) 4 4 4 no C9 C9 H8 8.2(3) 4 4 4 no C9 C9 H8 172.5(3) 4 4 4 no C9 C9 H8 91.9(4) 4 4 4 no C9 C9 H8 92.0(4) 4 4 4 no C9 C9 C10 101.2(2) 3_656 3_656 3_656 ? C9 C9 H6 56.7(3) 3_656 3_656 3_656 no C9 C9 H6 61.8(3) 3_656 3_656 3_656 no C9 C9 H7 88.4(5) 3_656 3_656 3_656 no C9 C9 H7 104.8(3) 3_656 3_656 3_656 no C9 C9 H7 79.5(3) 3_656 3_656 3_656 no C9 C9 H8 75.7(12) 3_656 3_656 3_656 no C9 C9 H8 103.9(4) 3_656 3_656 3_656 no C9 C9 H8 75.2(3) 3_656 3_656 3_656 no C9 C9 H8 139.5(3) 3_656 3_656 3_656 no C9 C9 H8 14.4(4) 3_656 3_656 3_656 no C10 C9 H6 105.8(3) . . . no C10 C9 H6 85.2(3) . . . no C10 C9 H7 142.6(7) . . . no C10 C9 H7 60.1(3) . . . no C10 C9 H7 178.9(3) . . . no C10 C9 H8 121.8(12) . . . no C10 C9 H8 21.2(3) . . . no C10 C9 H8 143.1(3) . . . no C10 C9 H8 75.7(4) . . . no C10 C9 H8 93.8(4) . . . no H6 C9 H6 118.4(3) . . . no H6 C9 H7 50.5(6) . . . no H6 C9 H7 61.4(4) . . . no H6 C9 H7 75.2(4) . . . no H6 C9 H8 117.8(12) . . . no H6 C9 H8 89.6(5) . . . no H6 C9 H8 102.3(4) . . . no H6 C9 H8 163.7(4) . . . no H6 C9 H8 46.6(4) . . . no H6 C9 H7 130.0(7) 3_656 3_656 3_656 no H6 C9 H7 140.7(4) 3_656 3_656 3_656 no H6 C9 H7 94.4(4) 3_656 3_656 3_656 no H6 C9 H8 41.3(12) 3_656 3_656 3_656 no H6 C9 H8 105.1(5) 3_656 3_656 3_656 no H6 C9 H8 60.3(4) 3_656 3_656 3_656 no H6 C9 H8 77.8(4) 3_656 3_656 3_656 no H6 C9 H8 72.8(5) 3_656 3_656 3_656 no H7 C9 H7 82.5(9) . . . no H7 C9 H7 38.0(8) . . . no H7 C9 H8 95.5(14) . . . no H7 C9 H8 121.5(7) . . . no H7 C9 H8 74.2(7) . . . no H7 C9 H8 118.9(6) . . . no H7 C9 H8 87.0(6) . . . no H7 C9 H7 120.6(5) 4 4 4 no H7 C9 H8 177.9(12) 4 4 4 no H7 C9 H8 38.9(4) 4 4 4 no H7 C9 H8 156.8(4) 4 4 4 no H7 C9 H8 107.8(5) 4 4 4 no H7 C9 H8 90.5(5) 4 4 4 no H7 C9 H8 57.5(12) 4_545 4_545 4_545 no H7 C9 H8 159.5(4) 4_545 4_545 4_545 no H7 C9 H8 36.2(4) 4_545 4_545 4_545 no H7 C9 H8 103.3(5) 4_545 4_545 4_545 no H7 C9 H8 87.1(5) 4_545 4_545 4_545 no H8 C9 H8 143.0(15) . . . no H8 C9 H8 21.3(10) . . . no H8 C9 H8 72.6(14) . . . no H8 C9 H8 90.1(13) . . . no H8 C9 H8 164.3(6) 4 4 4 no H8 C9 H8 87.3(5) 4 4 4 no H8 C9 H8 92.5(5) 4 4 4 no H8 C9 H8 83.9(5) 4_545 4_545 4_545 no H8 C9 H8 88.5(5) 4_545 4_545 4_545 no H8 C9 H8 149.5(5) 3_556 3_556 3_556 no CL1 C10 C7 179.8(1) . . . ? CL1 C10 C8 149.96(5) . . . ? CL1 C10 C8 149.95(5) . . . ? CL1 C10 C9 119.34(10) . . . ? CL1 C10 C9 119.31(10) . . . ? CL1 C10 H6 49.5(3) . . . no CL1 C10 H6 49.5(3) . . . no CL1 C10 H7 142.0(4) . . . no CL1 C10 H7 142.0(4) . . . no CL1 C10 H8 95.9(5) . . . no CL1 C10 H8 95.8(5) . . . no CL1 C10 H8 66.5(3) . . . no CL1 C10 H8 66.5(3) . . . no C7 C10 C8 30.04(5) . . . ? C7 C10 C8 30.05(5) . . . ? C7 C10 C9 60.66(10) . . . ? C7 C10 C9 60.69(10) . . . ? C7 C10 H6 130.4(3) . . . no C7 C10 H6 130.4(3) . . . no C7 C10 H7 38.0(4) . . . no C7 C10 H7 38.0(4) . . . no C7 C10 H8 84.1(5) . . . no C7 C10 H8 84.2(5) . . . no C7 C10 H8 113.7(3) . . . no C7 C10 H8 113.7(3) . . . no C8 C10 C8 60.09(9) . . . ? C8 C10 C9 30.62(9) . . . ? C8 C10 C9 90.73(12) . . . ? C8 C10 H6 154.9(3) . . . no C8 C10 H6 102.7(3) . . . no C8 C10 H7 8.0(4) . . . no C8 C10 H7 68.0(4) . . . no C8 C10 H8 54.1(5) . . . no C8 C10 H8 114.2(5) . . . no C8 C10 H8 121.3(3) . . . no C8 C10 H8 99.7(3) . . . no C8 C10 C9 90.71(12) 4 4 4 ? C8 C10 C9 30.64(9) 4 4 4 ? C8 C10 H6 102.7(3) 4 4 4 no C8 C10 H6 154.9(3) 4 4 4 no C8 C10 H7 68.0(4) 4 4 4 no C8 C10 H7 8.0(4) 4 4 4 no C8 C10 H8 114.2(5) 4 4 4 no C8 C10 H8 54.1(5) 4 4 4 no C8 C10 H8 99.7(3) 4 4 4 no C8 C10 H8 121.3(3) 4 4 4 no C9 C10 C9 121.4(2) . . . ? C9 C10 H6 156.2(3) . . . no C9 C10 H6 73.8(3) . . . no C9 C10 H7 22.7(4) . . . no C9 C10 H7 98.7(4) . . . no C9 C10 H8 23.5(5) . . . no C9 C10 H8 144.8(6) . . . no C9 C10 H8 120.1(4) . . . no C9 C10 H8 83.8(4) . . . no C9 C10 H6 73.7(3) 4 4 4 no C9 C10 H6 156.2(3) 4 4 4 no C9 C10 H7 98.7(4) 4 4 4 no C9 C10 H7 22.7(4) 4 4 4 no C9 C10 H8 144.8(6) 4 4 4 no C9 C10 H8 23.5(5) 4 4 4 no C9 C10 H8 83.8(4) 4 4 4 no C9 C10 H8 120.1(4) 4 4 4 no H6 C10 H6 86.5(6) 2_656 2_656 2_656 no H6 C10 H7 159.7(4) 2_656 2_656 2_656 no H6 C10 H7 95.4(5) 2_656 2_656 2_656 no H6 C10 H8 138.4(6) 2_656 2_656 2_656 no H6 C10 H8 52.0(6) 2_656 2_656 2_656 no H6 C10 H8 77.3(4) 2_656 2_656 2_656 no H6 C10 H8 105.0(4) 2_656 2_656 2_656 no H6 C10 H7 95.4(5) 3_656 3_656 3_656 no H6 C10 H7 159.7(4) 3_656 3_656 3_656 no H6 C10 H8 52.0(6) 3_656 3_656 3_656 no H6 C10 H8 138.3(6) 3_656 3_656 3_656 no H6 C10 H8 105.1(4) 3_656 3_656 3_656 no H6 C10 H8 77.4(4) 3_656 3_656 3_656 no H7 C10 H7 76.0(8) . . . no H7 C10 H8 46.1(7) . . . no H7 C10 H8 122.2(7) . . . no H7 C10 H8 121.2(4) . . . no H7 C10 H8 95.0(5) . . . no H7 C10 H8 122.1(7) 4 4 4 no H7 C10 H8 46.2(7) 4 4 4 no H7 C10 H8 95.0(5) 4 4 4 no H7 C10 H8 121.2(4) 4 4 4 no H8 C10 H8 168.3(11) . . . no H8 C10 H8 112.9(6) . . . no H8 C10 H8 72.2(7) . . . no H8 C10 H8 72.2(7) 4 4 4 no H8 C10 H8 112.9(6) 4 4 4 no H8 C10 H8 40.9(8) 2_556 2_556 2_556 no CL2 H1 O1 110.0(10) 2_657 2_657 2_657 no CL2 H1 O1 83.5(5) 2_657 2_657 2_657 no CL2 H1 O1 83.5(5) 2_657 2_657 2_657 no CL2 H1 N1 177.0(20) 2_657 2_657 2_657 no CL2 H1 N1 81.8(5) 2_657 2_657 2_657 no CL2 H1 N1 81.8(5) 2_657 2_657 2_657 no CL2 H1 N2 156.0(10) 2_657 2_657 2_657 no CL2 H1 C1 139.1(12) 2_657 2_657 2_657 no CL2 H1 C1 72.5(4) 2_657 2_657 2_657 no CL2 H1 C1 72.5(4) 2_657 2_657 2_657 no CL2 H1 C2 144.9(12) 2_657 2_657 2_657 no CL2 H1 C2 72.8(5) 2_657 2_657 2_657 no CL2 H1 C2 72.8(5) 2_657 2_657 2_657 no CL2 H1 C3 160.0(10) 2_657 2_657 2_657 no CL2 H1 C4 177.8(10) 2_657 2_657 2_657 no CL2 H1 C5 108.2(9) 2_657 2_657 2_657 no CL2 H1 H1 97.0(9) 2_657 2_657 2_657 no CL2 H1 H1 97.0(9) 2_657 2_657 2_657 no CL2 H1 H2 91.9(10) 2_657 2_657 2_657 no CL2 H1 H2 91.9(10) 2_657 2_657 2_657 no CL2 H1 H3 112.4(9) 2_657 2_657 2_657 no CL2 H1 H4 151.4(9) 2_657 2_657 2_657 no CL2 H1 H4 61.0(7) 2_657 2_657 2_657 no CL2 H1 H7 38.8(5) 2_657 2_657 2_657 no CL2 H1 H7 38.8(5) 2_657 2_657 2_657 no O1 H1 O1 117.1(3) . . . no O1 H1 O1 117.1(3) . . . no O1 H1 N1 67.1(13) . . . no O1 H1 N1 83.4(4) . . . no O1 H1 N1 83.3(4) . . . no O1 H1 N2 46.0(4) . . . no O1 H1 C1 29.2(3) . . . no O1 H1 C1 105.8(4) . . . no O1 H1 C1 105.8(4) . . . no O1 H1 C2 105.1(11) . . . no O1 H1 C2 71.5(4) . . . no O1 H1 C2 71.5(4) . . . no O1 H1 C3 90.0(8) . . . no O1 H1 C4 67.8(6) . . . no O1 H1 C5 141.9(12) . . . no O1 H1 H1 77.4(7) . . . no O1 H1 H1 77.3(7) . . . no O1 H1 H2 153.5(11) . . . no O1 H1 H2 153.5(11) . . . no O1 H1 H3 137.6(11) . . . no O1 H1 H4 98.6(9) . . . no O1 H1 H4 49.0(5) . . . no O1 H1 H7 139.9(9) . . . no O1 H1 H7 139.9(9) . . . no O1 H1 O1 125.5(6) 2_647 2_647 2_647 no O1 H1 N1 97.8(8) 2_647 2_647 2_647 no O1 H1 N1 36.44(7) 2_647 2_647 2_647 no O1 H1 N1 158.1(7) 2_647 2_647 2_647 no O1 H1 N2 106.5(5) 2_647 2_647 2_647 no O1 H1 C1 112.1(5) 2_647 2_647 2_647 no O1 H1 C1 18.83(6) 2_647 2_647 2_647 no O1 H1 C1 135.9(7) 2_647 2_647 2_647 no O1 H1 C2 80.6(4) 2_647 2_647 2_647 no O1 H1 C2 54.05(9) 2_647 2_647 2_647 no O1 H1 C2 156.3(8) 2_647 2_647 2_647 no O1 H1 C3 87.4(4) 2_647 2_647 2_647 no O1 H1 C4 97.5(5) 2_647 2_647 2_647 no O1 H1 C5 67.2(3) 2_647 2_647 2_647 no O1 H1 H1 39.8(4) 2_647 2_647 2_647 no O1 H1 H1 164.5(10) 2_647 2_647 2_647 no O1 H1 H2 48.8(6) 2_647 2_647 2_647 no O1 H1 H2 79.0(7) 2_647 2_647 2_647 no O1 H1 H3 68.5(4) 2_647 2_647 2_647 no O1 H1 H4 83.5(4) 2_647 2_647 2_647 no O1 H1 H4 109.5(4) 2_647 2_647 2_647 no O1 H1 H7 88.4(6) 2_647 2_647 2_647 no O1 H1 H7 51.7(4) 2_647 2_647 2_647 no O1 H1 N1 97.8(8) 2_657 2_657 2_657 no O1 H1 N1 158.1(7) 2_657 2_657 2_657 no O1 H1 N1 36.45(7) 2_657 2_657 2_657 no O1 H1 N2 106.5(5) 2_657 2_657 2_657 no O1 H1 C1 112.1(5) 2_657 2_657 2_657 no O1 H1 C1 135.9(7) 2_657 2_657 2_657 no O1 H1 C1 18.84(6) 2_657 2_657 2_657 no O1 H1 C2 80.7(4) 2_657 2_657 2_657 no O1 H1 C2 156.3(8) 2_657 2_657 2_657 no O1 H1 C2 54.06(9) 2_657 2_657 2_657 no O1 H1 C3 87.4(4) 2_657 2_657 2_657 no O1 H1 C4 97.5(5) 2_657 2_657 2_657 no O1 H1 C5 67.3(3) 2_657 2_657 2_657 no O1 H1 H1 164.5(10) 2_657 2_657 2_657 no O1 H1 H1 39.8(4) 2_657 2_657 2_657 no O1 H1 H2 79.0(7) 2_657 2_657 2_657 no O1 H1 H2 48.9(6) 2_657 2_657 2_657 no O1 H1 H3 68.5(4) 2_657 2_657 2_657 no O1 H1 H4 83.5(4) 2_657 2_657 2_657 no O1 H1 H4 109.5(4) 2_657 2_657 2_657 no O1 H1 H7 51.7(4) 2_657 2_657 2_657 no O1 H1 H7 88.5(6) 2_657 2_657 2_657 no N1 H1 N1 97.7(5) . . . no N1 H1 N1 97.7(5) . . . no N1 H1 N2 21.1(10) . . . no N1 H1 C1 37.9(10) . . . no N1 H1 C1 108.0(5) . . . no N1 H1 C1 108.0(5) . . . no N1 H1 C2 38.0(11) . . . no N1 H1 C2 105.8(8) . . . no N1 H1 C2 105.8(8) . . . no N1 H1 C3 22.9(11) . . . no N1 H1 C4 0.8(11) . . . no N1 H1 C5 74.8(15) . . . no N1 H1 H1 82.5(9) . . . no N1 H1 H1 82.4(9) . . . no N1 H1 H2 91.0(16) . . . no N1 H1 H2 91.0(16) . . . no N1 H1 H3 70.5(14) . . . no N1 H1 H4 31.5(12) . . . no N1 H1 H4 116.1(16) . . . no N1 H1 H7 143.7(15) . . . no N1 H1 H7 143.7(15) . . . no N1 H1 N1 153.9(8) 2_647 2_647 2_647 no N1 H1 N2 93.4(4) 2_647 2_647 2_647 no N1 H1 C1 89.6(4) 2_647 2_647 2_647 no N1 H1 C1 22.52(7) 2_647 2_647 2_647 no N1 H1 C1 154.3(9) 2_647 2_647 2_647 no N1 H1 C2 102.5(5) 2_647 2_647 2_647 no N1 H1 C2 19.38(10) 2_647 2_647 2_647 no N1 H1 C2 134.7(7) 2_647 2_647 2_647 no N1 H1 C3 101.2(5) 2_647 2_647 2_647 no N1 H1 C4 97.8(5) 2_647 2_647 2_647 no N1 H1 C5 102.1(4) 2_647 2_647 2_647 no N1 H1 H1 15.2(4) 2_647 2_647 2_647 no N1 H1 H1 159.0(11) 2_647 2_647 2_647 no N1 H1 H2 85.2(6) 2_647 2_647 2_647 no N1 H1 H2 115.4(7) 2_647 2_647 2_647 no N1 H1 H3 102.5(4) 2_647 2_647 2_647 no N1 H1 H4 102.1(5) 2_647 2_647 2_647 no N1 H1 H4 77.2(4) 2_647 2_647 2_647 no N1 H1 H7 107.8(7) 2_647 2_647 2_647 no N1 H1 H7 69.9(5) 2_647 2_647 2_647 no N1 H1 N2 93.4(4) 2_657 2_657 2_657 no N1 H1 C1 89.6(4) 2_657 2_657 2_657 no N1 H1 C1 154.3(9) 2_657 2_657 2_657 no N1 H1 C1 22.52(7) 2_657 2_657 2_657 no N1 H1 C2 102.6(5) 2_657 2_657 2_657 no N1 H1 C2 134.7(7) 2_657 2_657 2_657 no N1 H1 C2 19.37(10) 2_657 2_657 2_657 no N1 H1 C3 101.2(5) 2_657 2_657 2_657 no N1 H1 C4 97.8(5) 2_657 2_657 2_657 no N1 H1 C5 102.2(4) 2_657 2_657 2_657 no N1 H1 H1 159.0(11) 2_657 2_657 2_657 no N1 H1 H1 15.2(4) 2_657 2_657 2_657 no N1 H1 H2 115.5(7) 2_657 2_657 2_657 no N1 H1 H2 85.3(6) 2_657 2_657 2_657 no N1 H1 H3 102.5(4) 2_657 2_657 2_657 no N1 H1 H4 102.1(5) 2_657 2_657 2_657 no N1 H1 H4 77.1(4) 2_657 2_657 2_657 no N1 H1 H7 69.9(5) 2_657 2_657 2_657 no N1 H1 H7 107.9(7) 2_657 2_657 2_657 no N2 H1 C1 16.8(4) . . . no N2 H1 C1 110.4(4) . . . no N2 H1 C1 110.4(4) . . . no N2 H1 C2 59.1(7) . . . no N2 H1 C2 95.1(4) . . . no N2 H1 C2 95.1(4) . . . no N2 H1 C3 44.0(4) . . . no N2 H1 C4 21.8(2) . . . no N2 H1 C5 95.9(8) . . . no N2 H1 H1 79.2(9) . . . no N2 H1 H1 79.2(8) . . . no N2 H1 H2 111.3(10) . . . no N2 H1 H2 111.3(10) . . . no N2 H1 H3 91.6(8) . . . no N2 H1 H4 52.6(5) . . . no N2 H1 H4 95.0(6) . . . no N2 H1 H7 158.1(5) . . . no N2 H1 H7 158.1(5) . . . no C1 H1 C1 110.2(4) . . . no C1 H1 C1 110.2(4) . . . no C1 H1 C2 75.9(10) . . . no C1 H1 C2 86.1(5) . . . no C1 H1 C2 86.1(5) . . . no C1 H1 C3 60.8(7) . . . no C1 H1 C4 38.7(5) . . . no C1 H1 C5 112.7(12) . . . no C1 H1 H1 77.6(8) . . . no C1 H1 H1 77.5(8) . . . no C1 H1 H2 127.3(13) . . . no C1 H1 H2 127.3(13) . . . no C1 H1 H3 108.4(11) . . . no C1 H1 H4 69.4(8) . . . no C1 H1 H4 78.2(7) . . . no C1 H1 H7 159.5(5) . . . no C1 H1 H7 159.5(5) . . . no C1 H1 C1 139.0(8) 2_647 2_647 2_647 no C1 H1 C2 98.2(4) 2_647 2_647 2_647 no C1 H1 C2 36.85(11) 2_647 2_647 2_647 no C1 H1 C2 141.5(8) 2_647 2_647 2_647 no C1 H1 C3 102.8(4) 2_647 2_647 2_647 no C1 H1 C4 107.9(4) 2_647 2_647 2_647 no C1 H1 C5 85.5(4) 2_647 2_647 2_647 no C1 H1 H1 32.6(4) 2_647 2_647 2_647 no C1 H1 H1 169.5(13) 2_647 2_647 2_647 no C1 H1 H2 65.8(6) 2_647 2_647 2_647 no C1 H1 H2 94.7(7) 2_647 2_647 2_647 no C1 H1 H3 87.0(4) 2_647 2_647 2_647 no C1 H1 H4 100.3(4) 2_647 2_647 2_647 no C1 H1 H4 90.7(5) 2_647 2_647 2_647 no C1 H1 H7 89.0(6) 2_647 2_647 2_647 no C1 H1 H7 50.0(4) 2_647 2_647 2_647 no C1 H1 C2 98.2(4) 2_657 2_657 2_657 no C1 H1 C2 141.5(8) 2_657 2_657 2_657 no C1 H1 C2 36.84(11) 2_657 2_657 2_657 no C1 H1 C3 102.8(4) 2_657 2_657 2_657 no C1 H1 C4 107.9(4) 2_657 2_657 2_657 no C1 H1 C5 85.6(4) 2_657 2_657 2_657 no C1 H1 H1 169.5(13) 2_657 2_657 2_657 no C1 H1 H1 32.6(4) 2_657 2_657 2_657 no C1 H1 H2 94.7(7) 2_657 2_657 2_657 no C1 H1 H2 65.8(6) 2_657 2_657 2_657 no C1 H1 H3 87.1(4) 2_657 2_657 2_657 no C1 H1 H4 100.3(4) 2_657 2_657 2_657 no C1 H1 H4 90.6(5) 2_657 2_657 2_657 no C1 H1 H7 50.1(4) 2_657 2_657 2_657 no C1 H1 H7 89.0(6) 2_657 2_657 2_657 no C2 H1 C2 119.9(4) . . . no C2 H1 C2 119.9(4) . . . no C2 H1 C3 15.1(3) . . . no C2 H1 C4 37.2(5) . . . no C2 H1 C5 36.8(4) . . . no C2 H1 H1 90.5(9) . . . no C2 H1 H1 90.5(9) . . . no C2 H1 H2 54.5(7) . . . no C2 H1 H2 54.5(7) . . . no C2 H1 H3 32.5(5) . . . no C2 H1 H4 6.5(4) . . . no C2 H1 H4 154.1(11) . . . no C2 H1 H7 109.5(8) . . . no C2 H1 H7 109.5(8) . . . no C2 H1 C2 115.4(6) 2_647 2_647 2_647 no C2 H1 C3 115.5(4) 2_647 2_647 2_647 no C2 H1 C4 106.2(4) 2_647 2_647 2_647 no C2 H1 C5 121.0(3) 2_647 2_647 2_647 no C2 H1 H1 29.4(5) 2_647 2_647 2_647 no C2 H1 H1 140.8(10) 2_647 2_647 2_647 no C2 H1 H2 102.5(6) 2_647 2_647 2_647 no C2 H1 H2 131.4(7) 2_647 2_647 2_647 no C2 H1 H3 121.6(3) 2_647 2_647 2_647 no C2 H1 H4 118.2(4) 2_647 2_647 2_647 no C2 H1 H4 57.8(3) 2_647 2_647 2_647 no C2 H1 H7 106.7(7) 2_647 2_647 2_647 no C2 H1 H7 73.9(5) 2_647 2_647 2_647 no C2 H1 C3 115.5(4) 2_657 2_657 2_657 no C2 H1 C4 106.2(4) 2_657 2_657 2_657 no C2 H1 C5 121.0(3) 2_657 2_657 2_657 no C2 H1 H1 140.8(10) 2_657 2_657 2_657 no C2 H1 H1 29.4(5) 2_657 2_657 2_657 no C2 H1 H2 131.4(7) 2_657 2_657 2_657 no C2 H1 H2 102.5(6) 2_657 2_657 2_657 no C2 H1 H3 121.7(3) 2_657 2_657 2_657 no C2 H1 H4 118.2(4) 2_657 2_657 2_657 no C2 H1 H4 57.8(3) 2_657 2_657 2_657 no C2 H1 H7 74.0(5) 2_657 2_657 2_657 no C2 H1 H7 106.7(7) 2_657 2_657 2_657 no C3 H1 C4 22.2(2) . . . no C3 H1 C5 51.9(5) . . . no C3 H1 H1 87.1(9) . . . no C3 H1 H1 87.1(9) . . . no C3 H1 H2 68.9(8) . . . no C3 H1 H2 68.9(8) . . . no C3 H1 H3 47.6(5) . . . no C3 H1 H4 8.6(3) . . . no C3 H1 H4 139.0(8) . . . no C3 H1 H7 123.5(7) . . . no C3 H1 H7 123.5(7) . . . no C4 H1 C5 74.0(7) . . . no C4 H1 H1 82.6(9) . . . no C4 H1 H1 82.6(9) . . . no C4 H1 H2 90.2(9) . . . no C4 H1 H2 90.2(9) . . . no C4 H1 H3 69.7(6) . . . no C4 H1 H4 30.7(4) . . . no C4 H1 H4 116.8(7) . . . no C4 H1 H7 143.1(6) . . . no C4 H1 H7 143.0(6) . . . no C5 H1 H1 98.1(8) . . . no C5 H1 H1 98.1(8) . . . no C5 H1 H2 22.1(5) . . . no C5 H1 H2 22.1(5) . . . no C5 H1 H3 4.3(4) . . . no C5 H1 H4 43.3(5) . . . no C5 H1 H4 169.1(11) . . . no C5 H1 H7 74.9(6) . . . no C5 H1 H7 74.9(6) . . . no H1 H1 H1 154.1(15) 2_647 2_647 2_647 no H1 H1 H2 85.5(8) 2_647 2_647 2_647 no H1 H1 H2 115.7(10) 2_647 2_647 2_647 no H1 H1 H3 97.3(8) 2_647 2_647 2_647 no H1 H1 H4 89.0(9) 2_647 2_647 2_647 no H1 H1 H4 83.9(8) 2_647 2_647 2_647 no H1 H1 H7 121.3(10) 2_647 2_647 2_647 no H1 H1 H7 82.5(8) 2_647 2_647 2_647 no H1 H1 H2 115.8(10) 2_657 2_657 2_657 no H1 H1 H2 85.5(8) 2_657 2_657 2_657 no H1 H1 H3 97.4(8) 2_657 2_657 2_657 no H1 H1 H4 89.0(9) 2_657 2_657 2_657 no H1 H1 H4 83.9(8) 2_657 2_657 2_657 no H1 H1 H7 82.5(8) 2_657 2_657 2_657 no H1 H1 H7 121.3(10) 2_657 2_657 2_657 no H2 H1 H2 30.5(11) . . . no H2 H1 H3 25.4(6) . . . no H2 H1 H4 60.7(8) . . . no H2 H1 H4 149.2(11) . . . no H2 H1 H7 66.5(7) . . . no H2 H1 H7 55.0(7) . . . no H2 H1 H3 25.4(6) 4 4 4 no H2 H1 H4 60.7(8) 4 4 4 no H2 H1 H4 149.2(11) 4 4 4 no H2 H1 H7 55.0(7) 4 4 4 no H2 H1 H7 66.5(7) 4 4 4 no H3 H1 H4 39.0(5) . . . no H3 H1 H4 173.4(10) . . . no H3 H1 H7 78.9(6) . . . no H3 H1 H7 78.9(6) . . . no H4 H1 H4 147.6(9) . . . no H4 H1 H7 115.6(6) . . . no H4 H1 H7 115.5(6) . . . no H4 H1 H7 94.9(7) 1_455 1_455 1_455 no H4 H1 H7 94.9(7) 1_455 1_455 1_455 no H7 H1 H7 39.0(7) 2_657 2_657 2_657 no CL1 H2 CL2 111.4(5) 1_656 1_656 1_656 no CL1 H2 O1 109.4(6) 1_656 1_656 1_656 no CL1 H2 N1 154.6(9) 1_656 1_656 1_656 no CL1 H2 C1 159.6(7) 1_656 1_656 1_656 no CL1 H2 C1 118.7(6) 1_656 1_656 1_656 no CL1 H2 C2 139.5(9) 1_656 1_656 1_656 no CL1 H2 C3 130.9(7) 1_656 1_656 1_656 no CL1 H2 C3 97.6(5) 1_656 1_656 1_656 no CL1 H2 C5 97.3(13) 1_656 1_656 1_656 no CL1 H2 C6 66.0(4) 1_656 1_656 1_656 no CL1 H2 C8 71.5(4) 1_656 1_656 1_656 no CL1 H2 H1 144.4(9) 1_656 1_656 1_656 no CL1 H2 H2 79.0(4) 1_656 1_656 1_656 no CL1 H2 H3 77.0(10) 1_656 1_656 1_656 no CL1 H2 H4 117.1(6) 1_656 1_656 1_656 no CL1 H2 H4 107.8(6) 1_656 1_656 1_656 no CL1 H2 H5 72.9(6) 1_656 1_656 1_656 no CL1 H2 H6 51.2(4) 1_656 1_656 1_656 no CL1 H2 H7 68.8(4) 1_656 1_656 1_656 no CL1 H2 H7 74.9(5) 1_656 1_656 1_656 no CL2 H2 O1 84.1(5) 2_657 2_657 2_657 no CL2 H2 N1 60.5(4) 2_657 2_657 2_657 no CL2 H2 C1 63.1(3) 2_657 2_657 2_657 no CL2 H2 C1 64.5(4) 2_657 2_657 2_657 no CL2 H2 C2 90.1(6) 2_657 2_657 2_657 no CL2 H2 C3 106.1(5) 2_657 2_657 2_657 no CL2 H2 C3 141.1(6) 2_657 2_657 2_657 no CL2 H2 C5 112.1(15) 2_657 2_657 2_657 no CL2 H2 C6 134.7(7) 2_657 2_657 2_657 no CL2 H2 C8 60.5(3) 2_657 2_657 2_657 no CL2 H2 H1 40.1(7) 2_657 2_657 2_657 no CL2 H2 H2 78.7(4) 2_657 2_657 2_657 no CL2 H2 H3 141.3(13) 2_657 2_657 2_657 no CL2 H2 H4 120.8(6) 2_657 2_657 2_657 no CL2 H2 H4 128.9(7) 2_657 2_657 2_657 no CL2 H2 H5 123.0(8) 2_657 2_657 2_657 no CL2 H2 H6 137.7(7) 2_657 2_657 2_657 no CL2 H2 H7 44.4(4) 2_657 2_657 2_657 no CL2 H2 H7 48.7(4) 2_657 2_657 2_657 no O1 H2 N1 94.1(6) 2_647 2_647 2_647 no O1 H2 C1 89.9(5) 2_647 2_647 2_647 no O1 H2 C1 20.0(2) 2_647 2_647 2_647 no O1 H2 C2 106.6(8) 2_647 2_647 2_647 no O1 H2 C3 104.8(6) 2_647 2_647 2_647 no O1 H2 C3 61.6(4) 2_647 2_647 2_647 no O1 H2 C5 141.4(15) 2_647 2_647 2_647 no O1 H2 C6 58.1(4) 2_647 2_647 2_647 no O1 H2 C8 57.9(4) 2_647 2_647 2_647 no O1 H2 H1 90.9(7) 2_647 2_647 2_647 no O1 H2 H2 162.7(4) 2_647 2_647 2_647 no O1 H2 H3 130.4(12) 2_647 2_647 2_647 no O1 H2 H4 108.5(6) 2_647 2_647 2_647 no O1 H2 H4 52.2(5) 2_647 2_647 2_647 no O1 H2 H5 45.9(5) 2_647 2_647 2_647 no O1 H2 H6 71.1(6) 2_647 2_647 2_647 no O1 H2 H7 109.6(7) 2_647 2_647 2_647 no O1 H2 H7 66.9(6) 2_647 2_647 2_647 no N1 H2 C1 5.3(2) . . . no N1 H2 C1 81.0(5) . . . no N1 H2 C2 30.7(3) . . . no N1 H2 C3 46.0(3) . . . no N1 H2 C3 102.0(5) . . . no N1 H2 C5 67.7(11) . . . no N1 H2 C6 138.0(7) . . . no N1 H2 C8 116.2(6) . . . no N1 H2 H1 20.3(7) . . . no N1 H2 H2 75.8(5) . . . no N1 H2 H3 95.2(13) . . . no N1 H2 H4 61.0(5) . . . no N1 H2 H4 94.0(6) . . . no N1 H2 H5 132.3(9) . . . no N1 H2 H6 151.5(8) . . . no N1 H2 H7 94.9(6) . . . no N1 H2 H7 107.3(7) . . . no C1 H2 C1 77.8(4) . . . no C1 H2 C2 30.0(3) . . . no C1 H2 C3 44.3(2) . . . no C1 H2 C3 97.2(4) . . . no C1 H2 C5 69.3(11) . . . no C1 H2 C6 132.7(6) . . . no C1 H2 C8 116.4(5) . . . no C1 H2 H1 23.4(7) . . . no C1 H2 H2 80.7(3) . . . no C1 H2 H3 95.5(12) . . . no C1 H2 H4 59.4(4) . . . no C1 H2 H4 88.9(5) . . . no C1 H2 H5 127.1(7) . . . no C1 H2 H6 146.4(7) . . . no C1 H2 H7 99.4(5) . . . no C1 H2 H7 108.6(6) . . . no C1 H2 C2 101.4(7) 2_647 2_647 2_647 no C1 H2 C3 105.4(5) 2_647 2_647 2_647 no C1 H2 C3 79.2(5) 2_647 2_647 2_647 no C1 H2 C5 143.0(14) 2_647 2_647 2_647 no C1 H2 C6 77.5(5) 2_647 2_647 2_647 no C1 H2 C8 53.1(3) 2_647 2_647 2_647 no C1 H2 H1 73.4(6) 2_647 2_647 2_647 no C1 H2 H2 142.7(4) 2_647 2_647 2_647 no C1 H2 H3 146.3(12) 2_647 2_647 2_647 no C1 H2 H4 114.0(6) 2_647 2_647 2_647 no C1 H2 H4 68.4(5) 2_647 2_647 2_647 no C1 H2 H5 64.9(6) 2_647 2_647 2_647 no C1 H2 H6 89.5(6) 2_647 2_647 2_647 no C1 H2 H7 95.7(6) 2_647 2_647 2_647 no C1 H2 H7 57.7(5) 2_647 2_647 2_647 no C2 H2 C3 16.3(2) . . . no C2 H2 C3 83.6(6) . . . no C2 H2 C5 42.2(8) . . . no C2 H2 C6 122.0(8) . . . no C2 H2 C8 146.4(8) . . . no C2 H2 H1 50.4(8) . . . no C2 H2 H2 71.8(6) . . . no C2 H2 H3 65.7(12) . . . no C2 H2 H4 30.8(4) . . . no C2 H2 H4 80.5(6) . . . no C2 H2 H5 124.3(10) . . . no C2 H2 H6 129.2(9) . . . no C2 H2 H7 115.2(8) . . . no C2 H2 H7 137.9(8) . . . no C3 H2 C3 69.3(4) . . . no C3 H2 C5 38.1(9) . . . no C3 H2 C6 106.9(5) . . . no C3 H2 C8 157.3(6) . . . no C3 H2 H1 66.2(8) . . . no C3 H2 H2 78.5(4) . . . no C3 H2 H3 54.0(10) . . . no C3 H2 H4 15.2(3) . . . no C3 H2 H4 68.3(4) . . . no C3 H2 H5 111.1(8) . . . no C3 H2 H6 113.0(7) . . . no C3 H2 H7 129.3(7) . . . no C3 H2 H7 152.8(7) . . . no C3 H2 C5 88.3(12) 2_747 2_747 2_747 no C3 H2 C6 38.7(2) 2_747 2_747 2_747 no C3 H2 C8 108.5(6) 2_747 2_747 2_747 no C3 H2 H1 117.9(8) 2_747 2_747 2_747 no C3 H2 H2 133.8(3) 2_747 2_747 2_747 no C3 H2 H3 68.8(8) 2_747 2_747 2_747 no C3 H2 H4 61.2(4) 2_747 2_747 2_747 no C3 H2 H4 12.3(3) 2_747 2_747 2_747 no C3 H2 H5 41.9(5) 2_747 2_747 2_747 no C3 H2 H6 49.6(4) 2_747 2_747 2_747 no C3 H2 H7 161.2(6) 2_747 2_747 2_747 no C3 H2 H7 121.6(8) 2_747 2_747 2_747 no C5 H2 C6 113.1(14) . . . no C5 H2 C8 160.6(16) . . . no C5 H2 H1 82.3(14) . . . no C5 H2 H2 47.5(13) . . . no C5 H2 H3 30.6(10) . . . no C5 H2 H4 33.0(9) . . . no C5 H2 H4 93.8(13) . . . no C5 H2 H5 124.0(15) . . . no C5 H2 H6 108.6(13) . . . no C5 H2 H7 105.8(15) . . . no C5 H2 H7 149.6(17) . . . no C6 H2 C8 77.5(4) 2_747 2_747 2_747 no C6 H2 H1 146.5(8) 2_747 2_747 2_747 no C6 H2 H2 137.9(3) 2_747 2_747 2_747 no C6 H2 H3 83.8(9) 2_747 2_747 2_747 no C6 H2 H4 96.0(5) 2_747 2_747 2_747 no C6 H2 H4 44.5(4) 2_747 2_747 2_747 no C6 H2 H5 12.7(4) 2_747 2_747 2_747 no C6 H2 H6 15.1(3) 2_747 2_747 2_747 no C6 H2 H7 122.6(6) 2_747 2_747 2_747 no C6 H2 H7 90.9(7) 2_747 2_747 2_747 no C8 H2 H1 97.6(9) 3_657 3_657 3_657 no C8 H2 H2 113.6(3) 3_657 3_657 3_657 no C8 H2 H3 147.8(12) 3_657 3_657 3_657 no C8 H2 H4 166.4(7) 3_657 3_657 3_657 no C8 H2 H4 104.6(6) 3_657 3_657 3_657 no C8 H2 H5 68.9(6) 3_657 3_657 3_657 no C8 H2 H6 77.2(5) 3_657 3_657 3_657 no C8 H2 H7 55.7(5) 3_657 3_657 3_657 no C8 H2 H7 13.5(4) 3_657 3_657 3_657 no H1 H2 H2 74.7(6) . . . no H1 H2 H3 112.2(15) . . . no H1 H2 H4 81.1(9) . . . no H1 H2 H4 107.7(8) . . . no H1 H2 H5 135.9(9) . . . no H1 H2 H6 161.3(9) . . . no H1 H2 H7 77.1(8) . . . no H1 H2 H7 87.6(9) . . . no H2 H2 H3 65.5(9) 4 4 4 no H2 H2 H4 79.2(4) 4 4 4 no H2 H2 H4 141.2(4) 4 4 4 no H2 H2 H5 149.3(5) 4 4 4 no H2 H2 H6 123.9(5) 4 4 4 no H2 H2 H7 58.4(5) 4 4 4 no H2 H2 H7 102.2(6) 4 4 4 no H3 H2 H4 40.4(10) . . . no H3 H2 H4 78.6(9) . . . no H3 H2 H5 95.8(11) . . . no H3 H2 H6 78.0(10) . . . no H3 H2 H7 118.0(12) . . . no H3 H2 H7 151.1(13) . . . no H4 H2 H4 63.4(4) . . . no H4 H2 H5 102.6(8) . . . no H4 H2 H6 99.8(7) . . . no H4 H2 H7 136.0(7) . . . no H4 H2 H7 167.8(7) . . . no H4 H2 H5 43.8(6) 2_747 2_747 2_747 no H4 H2 H6 57.6(6) 2_747 2_747 2_747 no H4 H2 H7 160.3(8) 2_747 2_747 2_747 no H4 H2 H7 116.5(9) 2_747 2_747 2_747 no H5 H2 H6 25.5(5) 2_747 2_747 2_747 no H5 H2 H7 119.6(8) 2_747 2_747 2_747 no H5 H2 H7 82.4(8) 2_747 2_747 2_747 no H6 H2 H7 112.8(6) 3_757 3_757 3_757 no H6 H2 H7 89.5(7) 3_757 3_757 3_757 no H7 H2 H7 43.9(8) 2_657 2_657 2_657 no CL1 H3 CL2 88.7(6) 1_656 1_656 1_656 no CL1 H3 O1 86.2(4) 1_656 1_656 1_656 no CL1 H3 O1 86.2(4) 1_656 1_656 1_656 no CL1 H3 N1 126.6(8) 1_656 1_656 1_656 no CL1 H3 C2 142.4(11) 1_656 1_656 1_656 no CL1 H3 C3 173.3(10) 1_656 1_656 1_656 no CL1 H3 C3 102.7(4) 1_656 1_656 1_656 no CL1 H3 C3 102.8(4) 1_656 1_656 1_656 no CL1 H3 C4 169.3(8) 1_656 1_656 1_656 no CL1 H3 C4 82.3(4) 1_656 1_656 1_656 no CL1 H3 C4 82.3(4) 1_656 1_656 1_656 no CL1 H3 C5 98.5(16) 1_656 1_656 1_656 no CL1 H3 C6 64.1(3) 1_656 1_656 1_656 no CL1 H3 C6 64.1(3) 1_656 1_656 1_656 no CL1 H3 H1 110.8(8) 1_656 1_656 1_656 no CL1 H3 H2 76.4(11) 1_656 1_656 1_656 no CL1 H3 H2 76.4(11) 1_656 1_656 1_656 no CL1 H3 H4 166.5(11) 1_656 1_656 1_656 no CL1 H3 H4 106.7(5) 1_656 1_656 1_656 no CL1 H3 H4 106.8(5) 1_656 1_656 1_656 no CL1 H3 H5 66.9(4) 1_656 1_656 1_656 no CL1 H3 H5 66.9(4) 1_656 1_656 1_656 no CL1 H3 H6 51.0(4) 1_656 1_656 1_656 no CL1 H3 H6 51.0(4) 1_656 1_656 1_656 no CL2 H3 O1 123.1(3) 2_757 2_757 2_757 no CL2 H3 O1 123.1(3) 2_757 2_757 2_757 no CL2 H3 N1 144.7(8) 2_757 2_757 2_757 no CL2 H3 C2 128.9(10) 2_757 2_757 2_757 no CL2 H3 C3 98.0(7) 2_757 2_757 2_757 no CL2 H3 C3 70.9(4) 2_757 2_757 2_757 no CL2 H3 C3 70.9(4) 2_757 2_757 2_757 no CL2 H3 C4 102.0(6) 2_757 2_757 2_757 no CL2 H3 C4 63.9(4) 2_757 2_757 2_757 no CL2 H3 C4 63.9(4) 2_757 2_757 2_757 no CL2 H3 C5 172.8(19) 2_757 2_757 2_757 no CL2 H3 C6 78.6(4) 2_757 2_757 2_757 no CL2 H3 C6 78.6(4) 2_757 2_757 2_757 no CL2 H3 H1 160.5(9) 2_757 2_757 2_757 no CL2 H3 H2 150.9(11) 2_757 2_757 2_757 no CL2 H3 H2 150.9(11) 2_757 2_757 2_757 no CL2 H3 H4 77.8(8) 2_757 2_757 2_757 no CL2 H3 H4 84.9(5) 2_757 2_757 2_757 no CL2 H3 H4 85.0(5) 2_757 2_757 2_757 no CL2 H3 H5 91.9(6) 2_757 2_757 2_757 no CL2 H3 H5 92.0(6) 2_757 2_757 2_757 no CL2 H3 H6 74.5(5) 2_757 2_757 2_757 no CL2 H3 H6 74.5(5) 2_757 2_757 2_757 no O1 H3 O1 113.0(6) 2_647 2_647 2_647 no O1 H3 N1 66.4(4) 2_647 2_647 2_647 no O1 H3 C2 73.7(5) 2_647 2_647 2_647 no O1 H3 C3 90.2(5) 2_647 2_647 2_647 no O1 H3 C3 55.36(8) 2_647 2_647 2_647 no O1 H3 C3 164.0(7) 2_647 2_647 2_647 no O1 H3 C4 87.9(4) 2_647 2_647 2_647 no O1 H3 C4 59.26(6) 2_647 2_647 2_647 no O1 H3 C4 166.5(6) 2_647 2_647 2_647 no O1 H3 C5 57.9(4) 2_647 2_647 2_647 no O1 H3 C6 48.71(10) 2_647 2_647 2_647 no O1 H3 C6 143.8(6) 2_647 2_647 2_647 no O1 H3 H1 60.8(4) 2_647 2_647 2_647 no O1 H3 H2 32.6(8) 2_647 2_647 2_647 no O1 H3 H2 81.3(11) 2_647 2_647 2_647 no O1 H3 H4 101.1(5) 2_647 2_647 2_647 no O1 H3 H4 43.6(3) 2_647 2_647 2_647 no O1 H3 H4 150.0(8) 2_647 2_647 2_647 no O1 H3 H5 35.3(4) 2_647 2_647 2_647 no O1 H3 H5 135.8(7) 2_647 2_647 2_647 no O1 H3 H6 135.2(6) 2_647 2_647 2_647 no O1 H3 H6 58.9(3) 2_647 2_647 2_647 no O1 H3 N1 66.4(4) 2_657 2_657 2_657 no O1 H3 C2 73.6(5) 2_657 2_657 2_657 no O1 H3 C3 90.1(5) 2_657 2_657 2_657 no O1 H3 C3 164.0(7) 2_657 2_657 2_657 no O1 H3 C3 55.36(8) 2_657 2_657 2_657 no O1 H3 C4 87.9(4) 2_657 2_657 2_657 no O1 H3 C4 166.5(6) 2_657 2_657 2_657 no O1 H3 C4 59.26(6) 2_657 2_657 2_657 no O1 H3 C5 57.9(4) 2_657 2_657 2_657 no O1 H3 C6 143.9(6) 2_657 2_657 2_657 no O1 H3 C6 48.71(10) 2_657 2_657 2_657 no O1 H3 H1 60.8(4) 2_657 2_657 2_657 no O1 H3 H2 81.3(11) 2_657 2_657 2_657 no O1 H3 H2 32.6(8) 2_657 2_657 2_657 no O1 H3 H4 101.1(5) 2_657 2_657 2_657 no O1 H3 H4 150.0(8) 2_657 2_657 2_657 no O1 H3 H4 43.6(3) 2_657 2_657 2_657 no O1 H3 H5 135.8(7) 2_657 2_657 2_657 no O1 H3 H5 35.3(4) 2_657 2_657 2_657 no O1 H3 H6 58.9(3) 2_657 2_657 2_657 no O1 H3 H6 135.2(6) 2_657 2_657 2_657 no N1 H3 C2 15.8(3) . . . no N1 H3 C3 46.7(4) . . . no N1 H3 C3 97.8(4) . . . no N1 H3 C3 97.7(4) . . . no N1 H3 C4 42.7(3) . . . no N1 H3 C4 115.6(3) . . . no N1 H3 C4 115.5(3) . . . no N1 H3 C5 28.1(11) . . . no N1 H3 C6 114.3(4) . . . no N1 H3 C6 114.3(4) . . . no N1 H3 H1 15.8(5) . . . no N1 H3 H2 55.6(10) . . . no N1 H3 H2 55.6(10) . . . no N1 H3 H4 66.9(7) . . . no N1 H3 H4 84.5(5) . . . no N1 H3 H4 84.5(5) . . . no N1 H3 H5 101.5(6) . . . no N1 H3 H5 101.5(6) . . . no N1 H3 H6 125.3(5) . . . no N1 H3 H6 125.4(5) . . . no C2 H3 C3 31.0(3) . . . no C2 H3 C3 91.6(4) . . . no C2 H3 C3 91.6(4) . . . no C2 H3 C4 27.0(4) . . . no C2 H3 C4 112.0(4) . . . no C2 H3 C4 111.9(4) . . . no C2 H3 C5 43.8(11) . . . no C2 H3 C6 117.5(4) . . . no C2 H3 C6 117.4(4) . . . no C2 H3 H1 31.5(6) . . . no C2 H3 H2 69.5(12) . . . no C2 H3 H2 69.5(12) . . . no C2 H3 H4 51.1(7) . . . no C2 H3 H4 80.2(5) . . . no C2 H3 H4 80.2(5) . . . no C2 H3 H5 106.6(6) . . . no C2 H3 H5 106.5(6) . . . no C2 H3 H6 130.8(5) . . . no C2 H3 H6 130.8(5) . . . no C3 H3 C3 79.6(4) . . . no C3 H3 C3 79.6(4) . . . no C3 H3 C4 4.0(2) . . . no C3 H3 C4 100.6(4) . . . no C3 H3 C4 100.6(4) . . . no C3 H3 C5 74.8(14) . . . no C3 H3 C6 117.1(3) . . . no C3 H3 C6 117.1(3) . . . no C3 H3 H1 62.5(7) . . . no C3 H3 H2 97.6(12) . . . no C3 H3 H2 97.6(12) . . . no C3 H3 H4 20.1(5) . . . no C3 H3 H4 74.0(5) . . . no C3 H3 H4 74.0(5) . . . no C3 H3 H5 112.7(5) . . . no C3 H3 H5 112.6(5) . . . no C3 H3 H6 130.9(4) . . . no C3 H3 H6 130.9(4) . . . no C3 H3 C3 133.0(7) 2_747 2_747 2_747 no C3 H3 C4 81.1(4) 2_747 2_747 2_747 no C3 H3 C4 21.40(7) 2_747 2_747 2_747 no C3 H3 C4 134.4(7) 2_747 2_747 2_747 no C3 H3 C5 107.2(6) 2_747 2_747 2_747 no C3 H3 C6 39.41(9) 2_747 2_747 2_747 no C3 H3 C6 147.2(7) 2_747 2_747 2_747 no C3 H3 H1 103.4(4) 2_747 2_747 2_747 no C3 H3 H2 87.9(8) 2_747 2_747 2_747 no C3 H3 H2 136.4(12) 2_747 2_747 2_747 no C3 H3 H4 73.0(4) 2_747 2_747 2_747 no C3 H3 H4 14.3(3) 2_747 2_747 2_747 no C3 H3 H4 141.2(7) 2_747 2_747 2_747 no C3 H3 H5 42.1(4) 2_747 2_747 2_747 no C3 H3 H5 160.6(9) 2_747 2_747 2_747 no C3 H3 H6 136.7(7) 2_747 2_747 2_747 no C3 H3 H6 51.7(3) 2_747 2_747 2_747 no C3 H3 C4 81.0(4) 2_757 2_757 2_757 no C3 H3 C4 134.4(7) 2_757 2_757 2_757 no C3 H3 C4 21.40(7) 2_757 2_757 2_757 no C3 H3 C5 107.2(6) 2_757 2_757 2_757 no C3 H3 C6 147.2(7) 2_757 2_757 2_757 no C3 H3 C6 39.42(9) 2_757 2_757 2_757 no C3 H3 H1 103.4(4) 2_757 2_757 2_757 no C3 H3 H2 136.4(12) 2_757 2_757 2_757 no C3 H3 H2 87.9(8) 2_757 2_757 2_757 no C3 H3 H4 73.0(4) 2_757 2_757 2_757 no C3 H3 H4 141.2(7) 2_757 2_757 2_757 no C3 H3 H4 14.3(3) 2_757 2_757 2_757 no C3 H3 H5 160.6(9) 2_757 2_757 2_757 no C3 H3 H5 42.1(4) 2_757 2_757 2_757 no C3 H3 H6 51.8(3) 2_757 2_757 2_757 no C3 H3 H6 136.8(7) 2_757 2_757 2_757 no C4 H3 C4 102.3(4) . . . no C4 H3 C4 102.3(4) . . . no C4 H3 C5 70.8(14) . . . no C4 H3 C6 117.7(3) . . . no C4 H3 C6 117.6(3) . . . no C4 H3 H1 58.5(6) . . . no C4 H3 H2 93.9(12) . . . no C4 H3 H2 93.9(12) . . . no C4 H3 H4 24.2(5) . . . no C4 H3 H4 74.6(5) . . . no C4 H3 H4 74.6(5) . . . no C4 H3 H5 112.2(5) . . . no C4 H3 H5 112.2(5) . . . no C4 H3 H6 131.7(4) . . . no C4 H3 H6 131.7(4) . . . no C4 H3 C4 125.5(7) 2_747 2_747 2_747 no C4 H3 C5 116.9(4) 2_747 2_747 2_747 no C4 H3 C6 22.62(8) 2_747 2_747 2_747 no C4 H3 C6 129.9(7) 2_747 2_747 2_747 no C4 H3 H1 117.2(3) 2_747 2_747 2_747 no C4 H3 H2 89.1(9) 2_747 2_747 2_747 no C4 H3 H2 136.2(12) 2_747 2_747 2_747 no C4 H3 H4 91.7(5) 2_747 2_747 2_747 no C4 H3 H4 31.8(3) 2_747 2_747 2_747 no C4 H3 H4 147.6(8) 2_747 2_747 2_747 no C4 H3 H5 31.7(4) 2_747 2_747 2_747 no C4 H3 H5 141.5(8) 2_747 2_747 2_747 no C4 H3 H6 117.2(7) 2_747 2_747 2_747 no C4 H3 H6 31.9(3) 2_747 2_747 2_747 no C4 H3 C5 116.9(4) 2_757 2_757 2_757 no C4 H3 C6 129.9(7) 2_757 2_757 2_757 no C4 H3 C6 22.63(8) 2_757 2_757 2_757 no C4 H3 H1 117.1(3) 2_757 2_757 2_757 no C4 H3 H2 136.2(12) 2_757 2_757 2_757 no C4 H3 H2 89.1(9) 2_757 2_757 2_757 no C4 H3 H4 91.6(5) 2_757 2_757 2_757 no C4 H3 H4 147.6(8) 2_757 2_757 2_757 no C4 H3 H4 31.8(3) 2_757 2_757 2_757 no C4 H3 H5 141.5(8) 2_757 2_757 2_757 no C4 H3 H5 31.7(4) 2_757 2_757 2_757 no C4 H3 H6 31.9(3) 2_757 2_757 2_757 no C4 H3 H6 117.3(7) 2_757 2_757 2_757 no C5 H3 C6 104.5(7) . . . no C5 H3 C6 104.5(7) . . . no C5 H3 H1 12.3(12) . . . no C5 H3 H2 33.5(11) . . . no C5 H3 H2 33.4(11) . . . no C5 H3 H4 94.9(17) . . . no C5 H3 H4 92.9(7) . . . no C5 H3 H4 92.9(7) . . . no C5 H3 H5 90.9(8) . . . no C5 H3 H5 90.9(8) . . . no C5 H3 H6 110.1(11) . . . no C5 H3 H6 110.1(11) . . . no C6 H3 C6 123.2(6) 2_747 2_747 2_747 no C6 H3 H1 109.4(4) 2_747 2_747 2_747 no C6 H3 H2 72.4(9) 2_747 2_747 2_747 no C6 H3 H2 115.3(12) 2_747 2_747 2_747 no C6 H3 H4 112.4(4) 2_747 2_747 2_747 no C6 H3 H4 43.1(3) 2_747 2_747 2_747 no C6 H3 H4 161.1(8) 2_747 2_747 2_747 no C6 H3 H5 13.7(4) 2_747 2_747 2_747 no C6 H3 H5 130.1(7) 2_747 2_747 2_747 no C6 H3 H6 108.9(6) 2_747 2_747 2_747 no C6 H3 H6 14.3(3) 2_747 2_747 2_747 no C6 H3 H1 109.3(4) 2_757 2_757 2_757 no C6 H3 H2 115.3(12) 2_757 2_757 2_757 no C6 H3 H2 72.4(9) 2_757 2_757 2_757 no C6 H3 H4 112.4(4) 2_757 2_757 2_757 no C6 H3 H4 161.1(8) 2_757 2_757 2_757 no C6 H3 H4 43.1(3) 2_757 2_757 2_757 no C6 H3 H5 130.1(7) 2_757 2_757 2_757 no C6 H3 H5 13.7(4) 2_757 2_757 2_757 no C6 H3 H6 14.3(3) 2_757 2_757 2_757 no C6 H3 H6 108.9(6) 2_757 2_757 2_757 no H1 H3 H2 42.5(11) . . . no H1 H3 H2 42.5(11) . . . no H1 H3 H4 82.6(9) . . . no H1 H3 H4 89.2(6) . . . no H1 H3 H4 89.2(6) . . . no H1 H3 H5 95.7(6) . . . no H1 H3 H5 95.7(6) . . . no H1 H3 H6 117.4(6) . . . no H1 H3 H6 117.5(6) . . . no H2 H3 H2 49.0(19) . . . no H2 H3 H4 115.7(14) . . . no H2 H3 H4 75.9(9) . . . no H2 H3 H4 123.1(13) . . . no H2 H3 H5 59.3(10) . . . no H2 H3 H5 104.5(12) . . . no H2 H3 H6 112.3(12) . . . no H2 H3 H6 76.7(10) . . . no H2 H3 H4 115.7(14) 4 4 4 no H2 H3 H4 123.1(13) 4 4 4 no H2 H3 H4 75.9(9) 4 4 4 no H2 H3 H5 104.5(12) 4 4 4 no H2 H3 H5 59.3(10) 4 4 4 no H2 H3 H6 76.7(10) 4 4 4 no H2 H3 H6 112.3(12) 4 4 4 no H4 H3 H4 72.4(4) . . . no H4 H3 H4 72.4(4) . . . no H4 H3 H5 113.1(4) . . . no H4 H3 H5 113.0(4) . . . no H4 H3 H6 123.5(6) . . . no H4 H3 H6 123.6(6) . . . no H4 H3 H4 144.7(8) 2_747 2_747 2_747 no H4 H3 H5 40.7(4) 2_747 2_747 2_747 no H4 H3 H5 173.0(9) 2_747 2_747 2_747 no H4 H3 H6 149.0(8) 2_747 2_747 2_747 no H4 H3 H6 57.1(4) 2_747 2_747 2_747 no H4 H3 H5 173.0(9) 2_757 2_757 2_757 no H4 H3 H5 40.7(4) 2_757 2_757 2_757 no H4 H3 H6 57.1(4) 2_757 2_757 2_757 no H4 H3 H6 149.0(8) 2_757 2_757 2_757 no H5 H3 H5 133.5(9) 2_747 2_747 2_747 no H5 H3 H6 116.0(7) 2_747 2_747 2_747 no H5 H3 H6 24.3(4) 2_747 2_747 2_747 no H5 H3 H6 24.3(4) 2_757 2_757 2_757 no H5 H3 H6 116.0(7) 2_757 2_757 2_757 no H6 H3 H6 94.6(8) 2_757 2_757 2_757 no CL2 H4 O1 75.2(5) 2_757 2_757 2_757 no CL2 H4 N1 122.2(6) 2_757 2_757 2_757 no CL2 H4 N2 165.4(7) 2_757 2_757 2_757 no CL2 H4 C1 143.5(6) 2_757 2_757 2_757 no CL2 H4 C1 64.1(4) 2_757 2_757 2_757 no CL2 H4 C2 107.1(7) 2_757 2_757 2_757 no CL2 H4 C2 67.0(3) 2_757 2_757 2_757 no CL2 H4 C2 67.1(3) 2_757 2_757 2_757 no CL2 H4 C3 144.9(14) 2_757 2_757 2_757 no CL2 H4 C3 64.6(3) 2_757 2_757 2_757 no CL2 H4 C3 64.6(3) 2_757 2_757 2_757 no CL2 H4 C4 179.3(9) 2_757 2_757 2_757 no CL2 H4 C5 74.0(4) 2_757 2_757 2_757 no CL2 H4 C5 87.9(4) 2_757 2_757 2_757 no CL2 H4 C5 87.9(4) 2_757 2_757 2_757 no CL2 H4 C6 146.5(7) 2_757 2_757 2_757 no CL2 H4 H1 113.5(6) 2_757 2_757 2_757 no CL2 H4 H1 34.1(4) 2_757 2_757 2_757 no CL2 H4 H2 76.8(5) 2_757 2_757 2_757 no CL2 H4 H2 76.8(5) 2_757 2_757 2_757 no CL2 H4 H2 88.5(5) 2_757 2_757 2_757 no CL2 H4 H2 88.4(5) 2_757 2_757 2_757 no CL2 H4 H3 55.1(7) 2_757 2_757 2_757 no CL2 H4 H3 98.8(5) 2_757 2_757 2_757 no CL2 H4 H3 98.8(5) 2_757 2_757 2_757 no CL2 H4 H4 76.0(6) 2_757 2_757 2_757 no CL2 H4 H4 76.1(6) 2_757 2_757 2_757 no CL2 H4 H5 127.1(9) 2_757 2_757 2_757 no CL2 H4 H6 146.1(7) 2_757 2_757 2_757 no CL2 H4 H6 146.1(7) 2_757 2_757 2_757 no O1 H4 N1 162.6(7) 1_655 1_655 1_655 no O1 H4 N2 119.4(6) 1_655 1_655 1_655 no O1 H4 C1 141.3(6) 1_655 1_655 1_655 no O1 H4 C1 11.1(1) 1_655 1_655 1_655 no O1 H4 C2 177.7(9) 1_655 1_655 1_655 no O1 H4 C2 72.4(3) 1_655 1_655 1_655 no O1 H4 C2 72.4(3) 1_655 1_655 1_655 no O1 H4 C3 140.0(15) 1_655 1_655 1_655 no O1 H4 C3 92.3(4) 1_655 1_655 1_655 no O1 H4 C3 92.3(4) 1_655 1_655 1_655 no O1 H4 C4 104.1(7) 1_655 1_655 1_655 no O1 H4 C5 149.2(8) 1_655 1_655 1_655 no O1 H4 C5 66.4(3) 1_655 1_655 1_655 no O1 H4 C5 66.4(3) 1_655 1_655 1_655 no O1 H4 C6 71.3(4) 1_655 1_655 1_655 no O1 H4 H1 171.3(7) 1_655 1_655 1_655 no O1 H4 H1 41.1(5) 1_655 1_655 1_655 no O1 H4 H2 150.0(7) 1_655 1_655 1_655 no O1 H4 H2 150.0(7) 1_655 1_655 1_655 no O1 H4 H2 52.2(4) 1_655 1_655 1_655 no O1 H4 H2 52.2(4) 1_655 1_655 1_655 no O1 H4 H3 130.3(10) 1_655 1_655 1_655 no O1 H4 H3 77.6(5) 1_655 1_655 1_655 no O1 H4 H3 77.6(5) 1_655 1_655 1_655 no O1 H4 H4 103.4(6) 1_655 1_655 1_655 no O1 H4 H4 103.4(6) 1_655 1_655 1_655 no O1 H4 H5 51.9(7) 1_655 1_655 1_655 no O1 H4 H6 73.5(5) 1_655 1_655 1_655 no O1 H4 H6 73.5(5) 1_655 1_655 1_655 no N1 H4 N2 43.2(3) . . . no N1 H4 C1 21.4(1) . . . no N1 H4 C1 173.8(6) . . . no N1 H4 C2 15.1(3) . . . no N1 H4 C2 112.6(3) . . . no N1 H4 C2 112.6(3) . . . no N1 H4 C3 22.7(9) . . . no N1 H4 C3 95.6(3) . . . no N1 H4 C3 95.6(3) . . . no N1 H4 C4 58.6(5) . . . no N1 H4 C5 48.1(3) . . . no N1 H4 C5 111.2(3) . . . no N1 H4 C5 111.2(3) . . . no N1 H4 C6 91.3(6) . . . no N1 H4 H1 8.7(3) . . . no N1 H4 H1 156.3(7) . . . no N1 H4 H2 46.5(4) . . . no N1 H4 H2 46.5(4) . . . no N1 H4 H2 123.0(5) . . . no N1 H4 H2 123.0(5) . . . no N1 H4 H3 67.1(8) . . . no N1 H4 H3 98.1(5) . . . no N1 H4 H3 98.1(5) . . . no N1 H4 H4 82.6(6) . . . no N1 H4 H4 82.6(6) . . . no N1 H4 H5 110.8(9) . . . no N1 H4 H6 89.6(6) . . . no N1 H4 H6 89.6(6) . . . no N2 H4 C1 21.8(1) . . . no N2 H4 C1 130.6(5) . . . no N2 H4 C2 58.3(5) . . . no N2 H4 C2 115.5(3) . . . no N2 H4 C2 115.5(3) . . . no N2 H4 C3 20.5(9) . . . no N2 H4 C3 112.1(3) . . . no N2 H4 C3 112.1(3) . . . no N2 H4 C4 15.4(3) . . . no N2 H4 C5 91.3(6) . . . no N2 H4 C5 98.0(3) . . . no N2 H4 C5 97.9(3) . . . no N2 H4 C6 48.1(3) . . . no N2 H4 H1 51.9(4) . . . no N2 H4 H1 160.5(7) . . . no N2 H4 H2 88.8(6) . . . no N2 H4 H2 88.8(6) . . . no N2 H4 H2 100.6(5) . . . no N2 H4 H2 100.7(5) . . . no N2 H4 H3 110.3(9) . . . no N2 H4 H3 85.3(5) . . . no N2 H4 H3 85.3(5) . . . no N2 H4 H4 99.0(7) . . . no N2 H4 H4 99.0(7) . . . no N2 H4 H5 67.6(8) . . . no N2 H4 H6 47.7(4) . . . no N2 H4 H6 47.7(4) . . . no C1 H4 C1 152.4(5) . . . no C1 H4 C2 36.4(4) . . . no C1 H4 C2 116.0(3) . . . no C1 H4 C2 116.0(3) . . . no C1 H4 C3 1.3(9) . . . no C1 H4 C3 104.7(3) . . . no C1 H4 C3 104.6(3) . . . no C1 H4 C4 37.2(4) . . . no C1 H4 C5 69.5(4) . . . no C1 H4 C5 105.7(3) . . . no C1 H4 C5 105.7(3) . . . no C1 H4 C6 70.0(4) . . . no C1 H4 H1 30.0(4) . . . no C1 H4 H1 177.6(7) . . . no C1 H4 H2 67.4(5) . . . no C1 H4 H2 67.3(5) . . . no C1 H4 H2 113.2(5) . . . no C1 H4 H2 113.2(5) . . . no C1 H4 H3 88.4(8) . . . no C1 H4 H3 91.9(6) . . . no C1 H4 H3 91.9(6) . . . no C1 H4 H4 90.8(7) . . . no C1 H4 H4 90.7(7) . . . no C1 H4 H5 89.4(8) . . . no C1 H4 H6 68.8(5) . . . no C1 H4 H6 68.8(5) . . . no C1 H4 C2 171.2(8) 1_655 1_655 1_655 no C1 H4 C2 69.0(3) 1_655 1_655 1_655 no C1 H4 C2 69.0(3) 1_655 1_655 1_655 no C1 H4 C3 151.1(14) 1_655 1_655 1_655 no C1 H4 C3 87.2(3) 1_655 1_655 1_655 no C1 H4 C3 87.2(3) 1_655 1_655 1_655 no C1 H4 C4 115.2(7) 1_655 1_655 1_655 no C1 H4 C5 138.1(7) 1_655 1_655 1_655 no C1 H4 C5 67.7(3) 1_655 1_655 1_655 no C1 H4 C5 67.7(3) 1_655 1_655 1_655 no C1 H4 C6 82.4(5) 1_655 1_655 1_655 no C1 H4 H1 177.6(7) 1_655 1_655 1_655 no C1 H4 H1 30.0(4) 1_655 1_655 1_655 no C1 H4 H2 139.5(6) 1_655 1_655 1_655 no C1 H4 H2 139.5(6) 1_655 1_655 1_655 no C1 H4 H2 54.9(4) 1_655 1_655 1_655 no C1 H4 H2 54.9(4) 1_655 1_655 1_655 no C1 H4 H3 119.2(9) 1_655 1_655 1_655 no C1 H4 H3 80.3(5) 1_655 1_655 1_655 no C1 H4 H3 80.3(5) 1_655 1_655 1_655 no C1 H4 H4 99.7(6) 1_655 1_655 1_655 no C1 H4 H4 99.7(6) 1_655 1_655 1_655 no C1 H4 H5 63.0(7) 1_655 1_655 1_655 no C1 H4 H6 84.3(5) 1_655 1_655 1_655 no C1 H4 H6 84.3(5) 1_655 1_655 1_655 no C2 H4 C2 108.3(3) . . . no C2 H4 C2 108.3(3) . . . no C2 H4 C3 37.8(8) . . . no C2 H4 C3 88.7(4) . . . no C2 H4 C3 88.7(4) . . . no C2 H4 C4 73.7(7) . . . no C2 H4 C5 33.1(3) . . . no C2 H4 C5 113.4(3) . . . no C2 H4 C5 113.4(3) . . . no C2 H4 C6 106.4(8) . . . no C2 H4 H1 6.4(4) . . . no C2 H4 H1 141.2(9) . . . no C2 H4 H2 32.2(4) . . . no C2 H4 H2 32.1(4) . . . no C2 H4 H2 127.4(5) . . . no C2 H4 H2 127.4(5) . . . no C2 H4 H3 52.0(8) . . . no C2 H4 H3 101.9(5) . . . no C2 H4 H3 101.9(5) . . . no C2 H4 H4 77.3(6) . . . no C2 H4 H4 77.3(6) . . . no C2 H4 H5 125.9(11) . . . no C2 H4 H6 104.3(8) . . . no C2 H4 H6 104.3(8) . . . no C2 H4 C2 127.5(6) 2_747 2_747 2_747 no C2 H4 C3 116.1(3) 2_747 2_747 2_747 no C2 H4 C3 21.13(6) 2_747 2_747 2_747 no C2 H4 C3 131.5(6) 2_747 2_747 2_747 no C2 H4 C4 112.8(3) 2_747 2_747 2_747 no C2 H4 C5 95.4(3) 2_747 2_747 2_747 no C2 H4 C5 23.28(6) 2_747 2_747 2_747 no C2 H4 C5 136.1(6) 2_747 2_747 2_747 no C2 H4 C6 102.1(3) 2_747 2_747 2_747 no C2 H4 H1 110.3(3) 2_747 2_747 2_747 no C2 H4 H1 63.9(3) 2_747 2_747 2_747 no C2 H4 H2 86.8(5) 2_747 2_747 2_747 no C2 H4 H2 106.2(5) 2_747 2_747 2_747 no C2 H4 H2 123.8(6) 2_747 2_747 2_747 no C2 H4 H2 32.8(3) 2_747 2_747 2_747 no C2 H4 H3 87.0(4) 2_747 2_747 2_747 no C2 H4 H3 31.8(4) 2_747 2_747 2_747 no C2 H4 H3 149.2(7) 2_747 2_747 2_747 no C2 H4 H4 31.0(3) 2_747 2_747 2_747 no C2 H4 H4 142.8(9) 2_747 2_747 2_747 no C2 H4 H5 93.9(4) 2_747 2_747 2_747 no C2 H4 H6 91.1(4) 2_747 2_747 2_747 no C2 H4 H6 114.5(5) 2_747 2_747 2_747 no C2 H4 C3 116.1(3) 2_757 2_757 2_757 no C2 H4 C3 131.5(6) 2_757 2_757 2_757 no C2 H4 C3 21.13(6) 2_757 2_757 2_757 no C2 H4 C4 112.8(3) 2_757 2_757 2_757 no C2 H4 C5 95.4(3) 2_757 2_757 2_757 no C2 H4 C5 136.1(6) 2_757 2_757 2_757 no C2 H4 C5 23.28(6) 2_757 2_757 2_757 no C2 H4 C6 102.1(3) 2_757 2_757 2_757 no C2 H4 H1 110.3(3) 2_757 2_757 2_757 no C2 H4 H1 63.9(3) 2_757 2_757 2_757 no C2 H4 H2 106.2(5) 2_757 2_757 2_757 no C2 H4 H2 86.8(5) 2_757 2_757 2_757 no C2 H4 H2 32.8(3) 2_757 2_757 2_757 no C2 H4 H2 123.8(6) 2_757 2_757 2_757 no C2 H4 H3 87.1(4) 2_757 2_757 2_757 no C2 H4 H3 149.2(7) 2_757 2_757 2_757 no C2 H4 H3 31.8(4) 2_757 2_757 2_757 no C2 H4 H4 142.8(9) 2_757 2_757 2_757 no C2 H4 H4 31.0(3) 2_757 2_757 2_757 no C2 H4 H5 93.9(4) 2_757 2_757 2_757 no C2 H4 H6 114.5(5) 2_757 2_757 2_757 no C2 H4 H6 91.0(4) 2_757 2_757 2_757 no C3 H4 C3 105.2(6) . . . no C3 H4 C3 105.2(6) . . . no C3 H4 C4 35.9(8) . . . no C3 H4 C5 70.8(11) . . . no C3 H4 C5 105.3(5) . . . no C3 H4 C5 105.2(5) . . . no C3 H4 C6 68.6(11) . . . no C3 H4 H1 31.4(10) . . . no C3 H4 H1 179.0(15) . . . no C3 H4 H2 68.7(11) . . . no C3 H4 H2 68.7(11) . . . no C3 H4 H2 112.5(8) . . . no C3 H4 H2 112.5(8) . . . no C3 H4 H3 89.7(14) . . . no C3 H4 H3 91.5(7) . . . no C3 H4 H3 91.5(7) . . . no C3 H4 H4 91.3(8) . . . no C3 H4 H4 91.3(8) . . . no C3 H4 H5 88.1(14) . . . no C3 H4 H6 67.5(11) . . . no C3 H4 H6 67.5(11) . . . no C3 H4 C3 125.7(5) 2_747 2_747 2_747 no C3 H4 C4 115.6(3) 2_747 2_747 2_747 no C3 H4 C5 74.5(3) 2_747 2_747 2_747 no C3 H4 C5 39.98(8) 2_747 2_747 2_747 no C3 H4 C5 149.3(6) 2_747 2_747 2_747 no C3 H4 C6 116.4(3) 2_747 2_747 2_747 no C3 H4 H1 91.7(4) 2_747 2_747 2_747 no C3 H4 H1 74.4(4) 2_747 2_747 2_747 no C3 H4 H2 65.7(4) 2_747 2_747 2_747 no C3 H4 H2 85.4(5) 2_747 2_747 2_747 no C3 H4 H2 141.1(7) 2_747 2_747 2_747 no C3 H4 H2 52.6(4) 2_747 2_747 2_747 no C3 H4 H3 68.1(3) 2_747 2_747 2_747 no C3 H4 H3 42.1(4) 2_747 2_747 2_747 no C3 H4 H3 162.6(8) 2_747 2_747 2_747 no C3 H4 H4 13.9(3) 2_747 2_747 2_747 no C3 H4 H4 132.0(8) 2_747 2_747 2_747 no C3 H4 H5 112.5(3) 2_747 2_747 2_747 no C3 H4 H6 103.9(4) 2_747 2_747 2_747 no C3 H4 H6 129.2(5) 2_747 2_747 2_747 no C3 H4 C4 115.5(3) 2_757 2_757 2_757 no C3 H4 C5 74.5(3) 2_757 2_757 2_757 no C3 H4 C5 149.3(6) 2_757 2_757 2_757 no C3 H4 C5 39.98(8) 2_757 2_757 2_757 no C3 H4 C6 116.3(3) 2_757 2_757 2_757 no C3 H4 H1 91.7(4) 2_757 2_757 2_757 no C3 H4 H1 74.4(4) 2_757 2_757 2_757 no C3 H4 H2 85.4(5) 2_757 2_757 2_757 no C3 H4 H2 65.7(4) 2_757 2_757 2_757 no C3 H4 H2 52.6(4) 2_757 2_757 2_757 no C3 H4 H2 141.1(7) 2_757 2_757 2_757 no C3 H4 H3 68.1(3) 2_757 2_757 2_757 no C3 H4 H3 162.5(8) 2_757 2_757 2_757 no C3 H4 H3 42.1(4) 2_757 2_757 2_757 no C3 H4 H4 132.0(8) 2_757 2_757 2_757 no C3 H4 H4 13.9(3) 2_757 2_757 2_757 no C3 H4 H5 112.5(3) 2_757 2_757 2_757 no C3 H4 H6 129.2(5) 2_757 2_757 2_757 no C3 H4 H6 103.8(4) 2_757 2_757 2_757 no C4 H4 C5 106.7(8) . . . no C4 H4 C5 91.8(4) . . . no C4 H4 C5 91.8(4) . . . no C4 H4 C6 32.7(3) . . . no C4 H4 H1 67.3(6) . . . no C4 H4 H1 145.2(9) . . . no C4 H4 H2 103.9(8) . . . no C4 H4 H2 103.9(8) . . . no C4 H4 H2 91.1(5) . . . no C4 H4 H2 91.1(5) . . . no C4 H4 H3 125.6(11) . . . no C4 H4 H3 81.0(5) . . . no C4 H4 H3 81.0(5) . . . no C4 H4 H4 104.2(7) . . . no C4 H4 H4 104.2(7) . . . no C4 H4 H5 52.2(8) . . . no C4 H4 H6 33.3(4) . . . no C4 H4 H6 33.3(4) . . . no C5 H4 C5 112.2(3) . . . no C5 H4 C5 112.3(3) . . . no C5 H4 C6 139.5(8) . . . no C5 H4 H1 39.5(5) . . . no C5 H4 H1 108.1(7) . . . no C5 H4 H2 11.0(4) . . . no C5 H4 H2 11.0(4) . . . no C5 H4 H2 126.5(4) . . . no C5 H4 H2 126.5(4) . . . no C5 H4 H3 18.9(6) . . . no C5 H4 H3 107.1(4) . . . no C5 H4 H3 107.1(4) . . . no C5 H4 H4 69.0(5) . . . no C5 H4 H4 69.0(5) . . . no C5 H4 H5 158.9(11) . . . no C5 H4 H6 136.2(8) . . . no C5 H4 H6 136.2(8) . . . no C5 H4 C5 132.1(5) 2_747 2_747 2_747 no C5 H4 C6 78.9(3) 2_747 2_747 2_747 no C5 H4 H1 112.7(3) 2_747 2_747 2_747 no C5 H4 H1 75.1(3) 2_747 2_747 2_747 no C5 H4 H2 102.0(4) 2_747 2_747 2_747 no C5 H4 H2 123.2(5) 2_747 2_747 2_747 no C5 H4 H2 117.2(6) 2_747 2_747 2_747 no C5 H4 H2 15.0(3) 2_747 2_747 2_747 no C5 H4 H3 108.1(3) 2_747 2_747 2_747 no C5 H4 H3 13.8(4) 2_747 2_747 2_747 no C5 H4 H3 140.4(6) 2_747 2_747 2_747 no C5 H4 H4 43.3(3) 2_747 2_747 2_747 no C5 H4 H4 163.0(9) 2_747 2_747 2_747 no C5 H4 H5 72.5(3) 2_747 2_747 2_747 no C5 H4 H6 67.8(4) 2_747 2_747 2_747 no C5 H4 H6 91.5(5) 2_747 2_747 2_747 no C5 H4 C6 78.9(3) 2_757 2_757 2_757 no C5 H4 H1 112.7(3) 2_757 2_757 2_757 no C5 H4 H1 75.1(3) 2_757 2_757 2_757 no C5 H4 H2 123.3(5) 2_757 2_757 2_757 no C5 H4 H2 102.0(4) 2_757 2_757 2_757 no C5 H4 H2 14.9(3) 2_757 2_757 2_757 no C5 H4 H2 117.2(6) 2_757 2_757 2_757 no C5 H4 H3 108.1(3) 2_757 2_757 2_757 no C5 H4 H3 140.4(6) 2_757 2_757 2_757 no C5 H4 H3 13.8(4) 2_757 2_757 2_757 no C5 H4 H4 163.0(9) 2_757 2_757 2_757 no C5 H4 H4 43.3(3) 2_757 2_757 2_757 no C5 H4 H5 72.5(3) 2_757 2_757 2_757 no C5 H4 H6 91.4(5) 2_757 2_757 2_757 no C5 H4 H6 67.7(4) 2_757 2_757 2_757 no C6 H4 H1 100.0(7) . . . no C6 H4 H1 112.4(7) . . . no C6 H4 H2 135.8(7) . . . no C6 H4 H2 135.8(7) . . . no C6 H4 H2 71.1(4) . . . no C6 H4 H2 71.2(4) . . . no C6 H4 H3 158.4(11) . . . no C6 H4 H3 74.2(5) . . . no C6 H4 H3 74.2(5) . . . no C6 H4 H4 111.7(5) . . . no C6 H4 H4 111.6(5) . . . no C6 H4 H5 19.5(6) . . . no C6 H4 H6 12.9(4) . . . no C6 H4 H6 12.9(4) . . . no H1 H4 H1 147.6(9) . . . no H1 H4 H2 38.2(5) . . . no H1 H4 H2 38.2(5) . . . no H1 H4 H2 125.8(5) . . . no H1 H4 H2 125.8(5) . . . no H1 H4 H3 58.4(8) . . . no H1 H4 H3 100.3(5) . . . no H1 H4 H3 100.3(5) . . . no H1 H4 H4 79.5(6) . . . no H1 H4 H4 79.5(6) . . . no H1 H4 H5 119.4(10) . . . no H1 H4 H6 98.0(6) . . . no H1 H4 H6 98.0(6) . . . no H1 H4 H2 110.3(7) 1_655 1_655 1_655 no H1 H4 H2 110.3(7) 1_655 1_655 1_655 no H1 H4 H2 68.1(5) 1_655 1_655 1_655 no H1 H4 H2 68.0(5) 1_655 1_655 1_655 no H1 H4 H3 89.2(9) 1_655 1_655 1_655 no H1 H4 H3 88.8(6) 1_655 1_655 1_655 no H1 H4 H3 88.8(6) 1_655 1_655 1_655 no H1 H4 H4 88.3(7) 1_655 1_655 1_655 no H1 H4 H4 88.3(7) 1_655 1_655 1_655 no H1 H4 H5 93.0(9) 1_655 1_655 1_655 no H1 H4 H6 113.5(7) 1_655 1_655 1_655 no H1 H4 H6 113.5(7) 1_655 1_655 1_655 no H2 H4 H2 21.5(8) . . . no H2 H4 H2 137.6(7) . . . no H2 H4 H2 116.6(4) . . . no H2 H4 H3 23.9(6) . . . no H2 H4 H3 96.2(5) . . . no H2 H4 H3 117.6(6) . . . no H2 H4 H4 58.8(6) . . . no H2 H4 H4 80.0(7) . . . no H2 H4 H5 154.1(9) . . . no H2 H4 H6 129.6(7) . . . no H2 H4 H6 136.1(8) . . . no H2 H4 H2 116.6(4) 4 4 4 no H2 H4 H2 137.5(7) 4 4 4 no H2 H4 H3 23.9(6) 4 4 4 no H2 H4 H3 117.6(6) 4 4 4 no H2 H4 H3 96.2(5) 4 4 4 no H2 H4 H4 80.0(7) 4 4 4 no H2 H4 H4 58.9(6) 4 4 4 no H2 H4 H5 154.1(9) 4 4 4 no H2 H4 H6 136.1(8) 4 4 4 no H2 H4 H6 129.6(7) 4 4 4 no H2 H4 H2 102.3(8) 2_757 2_757 2_757 no H2 H4 H3 119.9(6) 2_757 2_757 2_757 no H2 H4 H3 125.6(7) 2_757 2_757 2_757 no H2 H4 H3 25.5(5) 2_757 2_757 2_757 no H2 H4 H4 154.4(10) 2_757 2_757 2_757 no H2 H4 H4 57.7(5) 2_757 2_757 2_757 no H2 H4 H5 61.1(5) 2_757 2_757 2_757 no H2 H4 H6 82.7(6) 2_757 2_757 2_757 no H2 H4 H6 61.9(5) 2_757 2_757 2_757 no H2 H4 H3 119.9(6) 3_757 3_757 3_757 no H2 H4 H3 25.5(5) 3_757 3_757 3_757 no H2 H4 H3 125.6(7) 3_757 3_757 3_757 no H2 H4 H4 57.7(5) 3_757 3_757 3_757 no H2 H4 H4 154.4(10) 3_757 3_757 3_757 no H2 H4 H5 61.1(5) 3_757 3_757 3_757 no H2 H4 H6 61.9(5) 3_757 3_757 3_757 no H2 H4 H6 82.7(6) 3_757 3_757 3_757 no H3 H4 H3 107.6(4) . . . no H3 H4 H3 107.6(4) . . . no H3 H4 H4 67.2(5) . . . no H3 H4 H4 67.2(5) . . . no H3 H4 H5 177.8(12) . . . no H3 H4 H6 153.5(9) . . . no H3 H4 H6 153.5(9) . . . no H3 H4 H3 144.7(8) 2_747 2_747 2_747 no H3 H4 H4 40.4(4) 2_747 2_747 2_747 no H3 H4 H4 174.1(9) 2_747 2_747 2_747 no H3 H4 H5 72.5(4) 2_747 2_747 2_747 no H3 H4 H6 61.9(5) 2_747 2_747 2_747 no H3 H4 H6 87.1(6) 2_747 2_747 2_747 no H3 H4 H4 174.1(9) 2_757 2_757 2_757 no H3 H4 H4 40.4(4) 2_757 2_757 2_757 no H3 H4 H5 72.5(4) 2_757 2_757 2_757 no H3 H4 H6 87.1(6) 2_757 2_757 2_757 no H3 H4 H6 61.8(5) 2_757 2_757 2_757 no H4 H4 H4 134.3(10) 2_747 2_747 2_747 no H4 H4 H5 112.8(5) 2_747 2_747 2_747 no H4 H4 H6 98.8(6) 2_747 2_747 2_747 no H4 H4 H6 124.1(7) 2_747 2_747 2_747 no H4 H4 H5 112.8(5) 2_757 2_757 2_757 no H4 H4 H6 124.0(7) 2_757 2_757 2_757 no H4 H4 H6 98.7(6) 2_757 2_757 2_757 no H5 H4 H6 24.6(6) . . . no H5 H4 H6 24.6(6) . . . no H6 H4 H6 25.5(7) . . . no CL1 H5 CL1 119.9(6) 2_646 2_646 2_646 no CL1 H5 O1 106.4(5) 2_646 2_646 2_646 no CL1 H5 N2 93.7(5) 2_646 2_646 2_646 no CL1 H5 C1 103.6(5) 2_646 2_646 2_646 no CL1 H5 C2 112.7(4) 2_646 2_646 2_646 no CL1 H5 C3 113.9(4) 2_646 2_646 2_646 no CL1 H5 C4 101.1(6) 2_646 2_646 2_646 no CL1 H5 C5 56.24(5) 2_646 2_646 2_646 no CL1 H5 C5 170.1(8) 2_646 2_646 2_646 no CL1 H5 C6 80.3(8) 2_646 2_646 2_646 no CL1 H5 C7 82.4(4) 2_646 2_646 2_646 no CL1 H5 C7 84.8(4) 2_646 2_646 2_646 no CL1 H5 C8 64.6(3) 2_646 2_646 2_646 no CL1 H5 C8 95.4(5) 2_646 2_646 2_646 no CL1 H5 H2 158.2(9) 2_646 2_646 2_646 no CL1 H5 H2 56.0(4) 2_646 2_646 2_646 no CL1 H5 H3 53.1(3) 2_646 2_646 2_646 no CL1 H5 H3 171.7(8) 2_646 2_646 2_646 no CL1 H5 H4 118.8(3) 2_646 2_646 2_646 no CL1 H5 H6 44.3(8) 2_646 2_646 2_646 no CL1 H5 H6 97.7(11) 2_646 2_646 2_646 no CL1 H5 O1 106.4(5) 2_656 2_656 2_656 no CL1 H5 N2 93.7(5) 2_656 2_656 2_656 no CL1 H5 C1 103.6(5) 2_656 2_656 2_656 no CL1 H5 C2 112.7(4) 2_656 2_656 2_656 no CL1 H5 C3 113.9(4) 2_656 2_656 2_656 no CL1 H5 C4 101.1(6) 2_656 2_656 2_656 no CL1 H5 C5 170.1(8) 2_656 2_656 2_656 no CL1 H5 C5 56.24(5) 2_656 2_656 2_656 no CL1 H5 C6 80.3(8) 2_656 2_656 2_656 no CL1 H5 C7 82.4(4) 2_656 2_656 2_656 no CL1 H5 C7 84.8(4) 2_656 2_656 2_656 no CL1 H5 C8 95.4(5) 2_656 2_656 2_656 no CL1 H5 C8 64.6(3) 2_656 2_656 2_656 no CL1 H5 H2 56.0(4) 2_656 2_656 2_656 no CL1 H5 H2 158.3(9) 2_656 2_656 2_656 no CL1 H5 H3 171.7(8) 2_656 2_656 2_656 no CL1 H5 H3 53.1(3) 2_656 2_656 2_656 no CL1 H5 H4 118.8(3) 2_656 2_656 2_656 no CL1 H5 H6 97.7(11) 2_656 2_656 2_656 no CL1 H5 H6 44.3(8) 2_656 2_656 2_656 no O1 H5 N2 138.3(9) 1_655 1_655 1_655 no O1 H5 C1 6.3(2) 1_655 1_655 1_655 no O1 H5 C2 95.3(7) 1_655 1_655 1_655 no O1 H5 C3 91.8(8) 1_655 1_655 1_655 no O1 H5 C4 123.2(11) 1_655 1_655 1_655 no O1 H5 C5 68.3(4) 1_655 1_655 1_655 no O1 H5 C5 68.3(4) 1_655 1_655 1_655 no O1 H5 C6 165.3(21) 1_655 1_655 1_655 no O1 H5 C7 161.1(9) 1_655 1_655 1_655 no O1 H5 C7 44.7(5) 1_655 1_655 1_655 no O1 H5 C8 56.7(5) 1_655 1_655 1_655 no O1 H5 C8 56.7(5) 1_655 1_655 1_655 no O1 H5 H2 60.0(5) 1_655 1_655 1_655 no O1 H5 H2 60.0(5) 1_655 1_655 1_655 no O1 H5 H3 80.9(6) 1_655 1_655 1_655 no O1 H5 H3 81.0(6) 1_655 1_655 1_655 no O1 H5 H4 71.6(8) 1_655 1_655 1_655 no O1 H5 H6 149.7(10) 1_655 1_655 1_655 no O1 H5 H6 149.8(10) 1_655 1_655 1_655 no N2 H5 C1 144.6(8) . . . no N2 H5 C2 43.0(3) . . . no N2 H5 C3 46.5(4) . . . no N2 H5 C4 15.1(3) . . . no N2 H5 C5 95.6(4) . . . no N2 H5 C5 95.6(4) . . . no N2 H5 C6 27.0(12) . . . no N2 H5 C7 22.8(2) . . . no N2 H5 C7 177.1(8) . . . no N2 H5 C8 158.2(5) . . . no N2 H5 C8 158.2(5) . . . no N2 H5 H2 107.6(6) . . . no N2 H5 H2 107.6(6) . . . no N2 H5 H3 82.9(6) . . . no N2 H5 H3 82.9(6) . . . no N2 H5 H4 66.6(7) . . . no N2 H5 H6 55.3(12) . . . no N2 H5 H6 55.3(12) . . . no C1 H5 C2 101.6(6) 1_655 1_655 1_655 no C1 H5 C3 98.1(7) 1_655 1_655 1_655 no C1 H5 C4 129.5(10) 1_655 1_655 1_655 no C1 H5 C5 70.3(4) 1_655 1_655 1_655 no C1 H5 C5 70.3(4) 1_655 1_655 1_655 no C1 H5 C6 171.6(19) 1_655 1_655 1_655 no C1 H5 C7 167.4(7) 1_655 1_655 1_655 no C1 H5 C7 38.3(3) 1_655 1_655 1_655 no C1 H5 C8 50.8(4) 1_655 1_655 1_655 no C1 H5 C8 50.8(4) 1_655 1_655 1_655 no C1 H5 H2 61.0(5) 1_655 1_655 1_655 no C1 H5 H2 61.0(5) 1_655 1_655 1_655 no C1 H5 H3 83.3(6) 1_655 1_655 1_655 no C1 H5 H3 83.3(6) 1_655 1_655 1_655 no C1 H5 H4 78.0(8) 1_655 1_655 1_655 no C1 H5 H6 147.8(11) 1_655 1_655 1_655 no C1 H5 H6 147.8(11) 1_655 1_655 1_655 no C2 H5 C3 3.5(2) . . . no C2 H5 C4 27.9(4) . . . no C2 H5 C5 76.6(4) . . . no C2 H5 C5 76.6(4) . . . no C2 H5 C6 70.0(15) . . . no C2 H5 C7 65.8(4) . . . no C2 H5 C7 140.0(7) . . . no C2 H5 C8 145.7(6) . . . no C2 H5 C8 145.7(6) . . . no C2 H5 H2 86.6(6) . . . no C2 H5 H2 86.6(6) . . . no C2 H5 H3 69.7(5) . . . no C2 H5 H3 69.8(5) . . . no C2 H5 H4 23.7(6) . . . no C2 H5 H6 91.9(13) . . . no C2 H5 H6 91.9(13) . . . no C3 H5 C4 31.4(4) . . . no C3 H5 C5 75.2(4) . . . no C3 H5 C5 75.2(4) . . . no C3 H5 C6 73.5(15) . . . no C3 H5 C7 69.3(6) . . . no C3 H5 C7 136.5(9) . . . no C3 H5 C8 142.7(8) . . . no C3 H5 C8 142.7(8) . . . no C3 H5 H2 84.9(6) . . . no C3 H5 H2 84.9(6) . . . no C3 H5 H3 69.1(5) . . . no C3 H5 H3 69.1(5) . . . no C3 H5 H4 20.2(5) . . . no C3 H5 H6 94.9(14) . . . no C3 H5 H6 94.9(14) . . . no C4 H5 C5 88.8(5) . . . no C4 H5 C5 88.8(5) . . . no C4 H5 C6 42.1(12) . . . no C4 H5 C7 37.9(5) . . . no C4 H5 C7 167.9(11) . . . no C4 H5 C8 162.3(2) . . . no C4 H5 C8 162.3(2) . . . no C4 H5 H2 100.7(7) . . . no C4 H5 H2 100.7(7) . . . no C4 H5 H3 77.5(5) . . . no C4 H5 H3 77.5(5) . . . no C4 H5 H4 51.5(7) . . . no C4 H5 H6 67.8(13) . . . no C4 H5 H6 67.8(13) . . . no C5 H5 C5 125.8(7) 2_747 2_747 2_747 no C5 H5 C6 106.8(7) 2_747 2_747 2_747 no C5 H5 C7 105.2(4) 2_747 2_747 2_747 no C5 H5 C7 85.7(5) 2_747 2_747 2_747 no C5 H5 C8 74.7(3) 2_747 2_747 2_747 no C5 H5 C8 105.9(6) 2_747 2_747 2_747 no C5 H5 H2 123.6(8) 2_747 2_747 2_747 no C5 H5 H2 12.0(4) 2_747 2_747 2_747 no C5 H5 H3 13.5(4) 2_747 2_747 2_747 no C5 H5 H3 131.5(7) 2_747 2_747 2_747 no C5 H5 H4 68.3(4) 2_747 2_747 2_747 no C5 H5 H6 85.0(8) 2_747 2_747 2_747 no C5 H5 H6 141.8(13) 2_747 2_747 2_747 no C5 H5 C6 106.8(7) 2_757 2_757 2_757 no C5 H5 C7 105.2(4) 2_757 2_757 2_757 no C5 H5 C7 85.7(5) 2_757 2_757 2_757 no C5 H5 C8 105.9(6) 2_757 2_757 2_757 no C5 H5 C8 74.7(3) 2_757 2_757 2_757 no C5 H5 H2 12.1(4) 2_757 2_757 2_757 no C5 H5 H2 123.6(8) 2_757 2_757 2_757 no C5 H5 H3 131.5(7) 2_757 2_757 2_757 no C5 H5 H3 13.5(4) 2_757 2_757 2_757 no C5 H5 H4 68.3(4) 2_757 2_757 2_757 no C5 H5 H6 141.8(13) 2_757 2_757 2_757 no C5 H5 H6 84.9(8) 2_757 2_757 2_757 no C6 H5 C7 4.2(12) . . . no C6 H5 C7 150.0(18) . . . no C6 H5 C8 136.8(16) . . . no C6 H5 C8 136.8(16) . . . no C6 H5 H2 117.1(7) . . . no C6 H5 H2 117.2(7) . . . no C6 H5 H3 93.5(8) . . . no C6 H5 H3 93.4(8) . . . no C6 H5 H4 93.7(17) . . . no C6 H5 H6 36.2(11) . . . no C6 H5 H6 36.2(11) . . . no C7 H5 C7 154.2(7) . . . no C7 H5 C8 140.6(6) . . . no C7 H5 C8 140.6(6) . . . no C7 H5 H2 116.0(6) . . . no C7 H5 H2 116.0(6) . . . no C7 H5 H3 91.8(6) . . . no C7 H5 H3 91.8(6) . . . no C7 H5 H4 89.5(9) . . . no C7 H5 H6 38.7(10) . . . no C7 H5 H6 38.7(10) . . . no C7 H5 C8 20.19(13) 1_655 1_655 1_655 no C7 H5 C8 20.20(13) 1_655 1_655 1_655 no C7 H5 H2 73.7(6) 1_655 1_655 1_655 no C7 H5 H2 73.7(6) 1_655 1_655 1_655 no C7 H5 H3 98.2(6) 1_655 1_655 1_655 no C7 H5 H3 98.2(6) 1_655 1_655 1_655 no C7 H5 H4 116.3(10) 1_655 1_655 1_655 no C7 H5 H6 122.3(13) 1_655 1_655 1_655 no C7 H5 H6 122.3(13) 1_655 1_655 1_655 no C8 H5 C8 35.2(2) 1_655 1_655 1_655 no C8 H5 H2 93.8(7) 1_655 1_655 1_655 no C8 H5 H2 63.1(5) 1_655 1_655 1_655 no C8 H5 H3 85.3(5) 1_655 1_655 1_655 no C8 H5 H3 118.2(7) 1_655 1_655 1_655 no C8 H5 H4 124.5(9) 1_655 1_655 1_655 no C8 H5 H6 103.8(12) 1_655 1_655 1_655 no C8 H5 H6 122.4(14) 1_655 1_655 1_655 no C8 H5 H2 63.1(5) 4_655 4_655 4_655 no C8 H5 H2 93.9(7) 4_655 4_655 4_655 no C8 H5 H3 118.2(7) 4_655 4_655 4_655 no C8 H5 H3 85.3(5) 4_655 4_655 4_655 no C8 H5 H4 124.5(9) 4_655 4_655 4_655 no C8 H5 H6 122.3(14) 4_655 4_655 4_655 no C8 H5 H6 103.8(12) 4_655 4_655 4_655 no H2 H5 H2 118.6(10) 2_757 2_757 2_757 no H2 H5 H3 132.3(9) 2_757 2_757 2_757 no H2 H5 H3 25.0(5) 2_757 2_757 2_757 no H2 H5 H4 75.1(6) 2_757 2_757 2_757 no H2 H5 H6 149.9(12) 2_757 2_757 2_757 no H2 H5 H6 91.2(8) 2_757 2_757 2_757 no H2 H5 H3 25.0(5) 3_757 3_757 3_757 no H2 H5 H3 132.3(9) 3_757 3_757 3_757 no H2 H5 H4 75.1(6) 3_757 3_757 3_757 no H2 H5 H6 91.2(8) 3_757 3_757 3_757 no H2 H5 H6 150.0(12) 3_757 3_757 3_757 no H3 H5 H3 133.5(9) 2_747 2_747 2_747 no H3 H5 H4 66.8(4) 2_747 2_747 2_747 no H3 H5 H6 74.1(9) 2_747 2_747 2_747 no H3 H5 H6 128.9(14) 2_747 2_747 2_747 no H3 H5 H4 66.9(4) 2_757 2_757 2_757 no H3 H5 H6 128.9(14) 2_757 2_757 2_757 no H3 H5 H6 74.1(9) 2_757 2_757 2_757 no H4 H5 H6 112.3(15) . . . no H4 H5 H6 112.3(15) . . . no H6 H5 H6 58.8(18) . . . no CL1 H6 CL2 76.7(4) 2_646 2_646 2_646 no CL1 H6 O1 97.1(5) 2_646 2_646 2_646 no CL1 H6 N2 133.8(7) 2_646 2_646 2_646 no CL1 H6 C1 129.0(6) 2_646 2_646 2_646 no CL1 H6 C3 127.2(6) 2_646 2_646 2_646 no CL1 H6 C4 139.3(8) 2_646 2_646 2_646 no CL1 H6 C5 60.9(3) 2_646 2_646 2_646 no CL1 H6 C6 148.4(14) 2_646 2_646 2_646 no CL1 H6 C7 122.9(7) 2_646 2_646 2_646 no CL1 H6 C8 95.4(6) 2_646 2_646 2_646 no CL1 H6 C8 132.5(6) 2_646 2_646 2_646 no CL1 H6 C9 89.1(5) 2_646 2_646 2_646 no CL1 H6 C9 46.5(3) 2_646 2_646 2_646 no CL1 H6 C10 26.5(2) 2_646 2_646 2_646 no CL1 H6 H2 61.4(5) 2_646 2_646 2_646 no CL1 H6 H3 61.3(5) 2_646 2_646 2_646 no CL1 H6 H4 120.5(6) 2_646 2_646 2_646 no CL1 H6 H5 114.8(12) 2_646 2_646 2_646 no CL1 H6 H6 150.9(4) 2_646 2_646 2_646 no CL1 H6 H7 84.4(6) 2_646 2_646 2_646 no CL1 H6 H7 146.3(7) 2_646 2_646 2_646 no CL1 H6 H8 100.1(6) 2_646 2_646 2_646 no CL1 H6 H8 56.1(6) 2_646 2_646 2_646 no CL2 H6 O1 103.9(4) . . . no CL2 H6 N2 60.0(4) . . . no CL2 H6 C1 53.9(2) . . . no CL2 H6 C3 64.5(3) . . . no CL2 H6 C4 65.9(5) . . . no CL2 H6 C5 55.6(3) . . . no CL2 H6 C6 106.7(12) . . . no CL2 H6 C7 72.5(4) . . . no CL2 H6 C8 61.7(3) . . . no CL2 H6 C8 93.4(4) . . . no CL2 H6 C9 76.3(3) . . . no CL2 H6 C9 105.0(5) . . . no CL2 H6 C10 88.7(4) . . . no CL2 H6 H2 68.8(5) . . . no CL2 H6 H3 43.6(4) . . . no CL2 H6 H4 72.0(4) . . . no CL2 H6 H5 111.8(12) . . . no CL2 H6 H6 132.3(3) . . . no CL2 H6 H7 44.2(4) . . . no CL2 H6 H7 98.3(5) . . . no CL2 H6 H8 150.2(6) . . . no CL2 H6 H8 116.7(7) . . . no O1 H6 N2 107.7(5) 1_655 1_655 1_655 no O1 H6 C1 105.6(4) 1_655 1_655 1_655 no O1 H6 C3 61.9(3) 1_655 1_655 1_655 no O1 H6 C4 77.7(5) 1_655 1_655 1_655 no O1 H6 C5 56.3(3) 1_655 1_655 1_655 no O1 H6 C6 51.3(10) 1_655 1_655 1_655 no O1 H6 C7 136.2(6) 1_655 1_655 1_655 no O1 H6 C8 158.0(6) 1_655 1_655 1_655 no O1 H6 C8 130.2(6) 1_655 1_655 1_655 no O1 H6 C9 173.7(6) 1_655 1_655 1_655 no O1 H6 C9 124.0(5) 1_655 1_655 1_655 no O1 H6 C10 117.4(5) 1_655 1_655 1_655 no O1 H6 H2 45.8(4) 1_655 1_655 1_655 no O1 H6 H3 66.8(4) 1_655 1_655 1_655 no O1 H6 H4 46.6(4) 1_655 1_655 1_655 no O1 H6 H5 18.5(7) 1_655 1_655 1_655 no O1 H6 H6 78.5(3) 1_655 1_655 1_655 no O1 H6 H7 147.0(6) 1_655 1_655 1_655 no O1 H6 H7 116.3(6) 1_655 1_655 1_655 no O1 H6 H8 105.9(6) 1_655 1_655 1_655 no O1 H6 H8 120.2(6) 1_655 1_655 1_655 no N2 H6 C1 6.8(1) . . . no N2 H6 C3 47.3(3) . . . no N2 H6 C4 30.1(3) . . . no N2 H6 C5 101.9(5) . . . no N2 H6 C6 66.7(10) . . . no N2 H6 C7 31.6(2) . . . no N2 H6 C8 51.3(3) . . . no N2 H6 C8 44.2(3) . . . no N2 H6 C9 66.7(4) . . . no N2 H6 C9 128.3(6) . . . no N2 H6 C10 130.2(6) . . . no N2 H6 H2 111.5(6) . . . no N2 H6 H3 93.3(6) . . . no N2 H6 H4 62.6(5) . . . no N2 H6 H5 96.7(14) . . . no N2 H6 H6 73.7(4) . . . no N2 H6 H7 53.9(5) . . . no N2 H6 H7 41.6(4) . . . no N2 H6 H8 109.3(7) . . . no N2 H6 H8 129.9(7) . . . no C1 H6 C3 44.0(2) . . . no C1 H6 C4 28.4(3) . . . no C1 H6 C5 95.3(4) . . . no C1 H6 C6 68.5(10) . . . no C1 H6 C7 36.3(2) . . . no C1 H6 C8 52.8(3) . . . no C1 H6 C8 50.5(2) . . . no C1 H6 C9 69.3(3) . . . no C1 H6 C9 130.2(5) . . . no C1 H6 C10 129.0(5) . . . no C1 H6 H2 105.3(5) . . . no C1 H6 H3 86.6(5) . . . no C1 H6 H4 59.4(4) . . . no C1 H6 H5 96.4(13) . . . no C1 H6 H6 79.3(3) . . . no C1 H6 H7 52.6(4) . . . no C1 H6 H7 48.4(3) . . . no C1 H6 H8 116.0(6) . . . no C1 H6 H8 133.5(6) . . . no C3 H6 C4 18.5(2) . . . no C3 H6 C5 67.8(3) . . . no C3 H6 C6 42.3(9) . . . no C3 H6 C7 78.6(5) . . . no C3 H6 C8 96.2(5) . . . no C3 H6 C8 85.9(4) . . . no C3 H6 C9 113.2(5) . . . no C3 H6 C9 169.5(7) . . . no C3 H6 C10 150.5(6) . . . no C3 H6 H2 71.6(5) . . . no C3 H6 H3 65.9(4) . . . no C3 H6 H4 15.4(3) . . . no C3 H6 H5 56.3(12) . . . no C3 H6 H6 76.3(4) . . . no C3 H6 H7 91.0(5) . . . no C3 H6 H7 76.5(4) . . . no C3 H6 H8 131.2(8) . . . no C3 H6 H8 176.4(8) . . . no C4 H6 C5 84.2(5) . . . no C4 H6 C6 43.7(8) . . . no C4 H6 C7 60.7(5) . . . no C4 H6 C8 81.0(6) . . . no C4 H6 C8 67.5(5) . . . no C4 H6 C9 96.8(6) . . . no C4 H6 C9 158.4(8) . . . no C4 H6 C10 153.7(8) . . . no C4 H6 H2 89.5(6) . . . no C4 H6 H3 80.1(6) . . . no C4 H6 H4 33.0(4) . . . no C4 H6 H5 68.2(13) . . . no C4 H6 H6 68.4(6) . . . no C4 H6 H7 80.0(6) . . . no C4 H6 H7 58.8(5) . . . no C4 H6 H8 120.3(9) . . . no C4 H6 H8 158.1(9) . . . no C5 H6 C6 94.4(11) 2_747 2_747 2_747 no C5 H6 C7 126.2(6) 2_747 2_747 2_747 no C5 H6 C8 116.1(6) 2_747 2_747 2_747 no C5 H6 C8 145.4(5) 2_747 2_747 2_747 no C5 H6 C9 126.8(5) 2_747 2_747 2_747 no C5 H6 C9 107.3(5) 2_747 2_747 2_747 no C5 H6 C10 87.2(4) 2_747 2_747 2_747 no C5 H6 H2 13.2(3) 2_747 2_747 2_747 no C5 H6 H3 12.1(4) 2_747 2_747 2_747 no C5 H6 H4 59.6(3) 2_747 2_747 2_747 no C5 H6 H5 72.4(8) 2_747 2_747 2_747 no C5 H6 H6 131.5(3) 2_747 2_747 2_747 no C5 H6 H7 97.6(6) 2_747 2_747 2_747 no C5 H6 H7 142.2(5) 2_747 2_747 2_747 no C5 H6 H8 148.0(6) 2_747 2_747 2_747 no C5 H6 H8 115.8(7) 2_747 2_747 2_747 no C6 H6 C7 87.0(12) . . . no C6 H6 C8 114.1(13) . . . no C6 H6 C8 79.1(11) . . . no C6 H6 C9 122.5(13) . . . no C6 H6 C9 148.0(14) . . . no C6 H6 C10 162.3(14) . . . no C6 H6 H2 89.9(11) . . . no C6 H6 H3 98.8(12) . . . no C6 H6 H4 39.2(9) . . . no C6 H6 H5 34.0(10) . . . no C6 H6 H6 38.6(11) . . . no C6 H6 H7 120.6(13) . . . no C6 H6 H7 65.3(11) . . . no C6 H6 H8 91.5(13) . . . no C6 H6 H8 136.0(14) . . . no C7 H6 C8 27.5(2) . . . no C7 H6 C8 20.9(2) . . . no C7 H6 C9 37.6(2) . . . no C7 H6 C9 98.2(5) . . . no C7 H6 C10 106.3(5) . . . no C7 H6 H2 138.4(7) . . . no C7 H6 H3 115.0(7) . . . no C7 H6 H4 93.7(6) . . . no C7 H6 H5 120.9(14) . . . no C7 H6 H6 74.1(4) . . . no C7 H6 H7 41.0(5) . . . no C7 H6 H7 29.6(4) . . . no C7 H6 H8 85.4(5) . . . no C7 H6 H8 98.4(6) . . . no C8 H6 C8 42.4(3) . . . no C8 H6 C9 18.05(13) . . . no C8 H6 C9 77.5(4) . . . no C8 H6 C10 80.5(4) . . . no C8 H6 H2 129.1(7) . . . no C8 H6 H3 104.2(6) . . . no C8 H6 H4 111.4(6) . . . no C8 H6 H5 147.4(15) . . . no C8 H6 H6 98.7(4) . . . no C8 H6 H7 18.7(5) . . . no C8 H6 H7 54.8(5) . . . no C8 H6 H8 89.6(5) . . . no C8 H6 H8 81.8(6) . . . no C8 H6 C9 43.7(2) 4 4 4 no C8 H6 C9 94.6(4) 4 4 4 no C8 H6 C10 109.2(5) 4 4 4 no C8 H6 H2 155.6(7) 4 4 4 no C8 H6 H3 135.0(6) 4 4 4 no C8 H6 H4 99.0(5) 4 4 4 no C8 H6 H5 112.0(12) 4 4 4 no C8 H6 H6 56.4(3) 4 4 4 no C8 H6 H7 59.3(6) 4 4 4 no C8 H6 H7 13.9(3) 4 4 4 no C8 H6 H8 66.6(5) 4 4 4 no C8 H6 H8 90.6(6) 4 4 4 no C9 H6 C9 61.6(3) . . . no C9 H6 C10 68.9(3) . . . no C9 H6 H2 138.2(7) . . . no C9 H6 H3 115.7(6) . . . no C9 H6 H4 128.6(6) . . . no C9 H6 H5 155.7(12) . . . no C9 H6 H6 96.6(3) . . . no C9 H6 H7 32.3(4) . . . no C9 H6 H7 57.6(4) . . . no C9 H6 H8 74.0(4) . . . no C9 H6 H8 64.5(5) . . . no C9 H6 C10 20.99(11) 3_656 3_656 3_656 no C9 H6 H2 105.8(6) 3_656 3_656 3_656 no C9 H6 H3 107.2(6) 3_656 3_656 3_656 no C9 H6 H4 166.2(7) 3_656 3_656 3_656 no C9 H6 H5 132.3(14) 3_656 3_656 3_656 no C9 H6 H6 112.7(3) 3_656 3_656 3_656 no C9 H6 H7 80.4(5) 3_656 3_656 3_656 no C9 H6 H7 105.7(5) 3_656 3_656 3_656 no C9 H6 H8 57.8(5) 3_656 3_656 3_656 no C9 H6 H8 12.1(5) 3_656 3_656 3_656 no C10 H6 H2 87.6(5) 2_646 2_646 2_646 no C10 H6 H3 86.3(5) 2_646 2_646 2_646 no C10 H6 H4 146.8(6) 2_646 2_646 2_646 no C10 H6 H5 132.1(13) 2_646 2_646 2_646 no C10 H6 H6 133.2(3) 2_646 2_646 2_646 no C10 H6 H7 76.5(5) 2_646 2_646 2_646 no C10 H6 H7 122.1(5) 2_646 2_646 2_646 no C10 H6 H8 78.2(5) 2_646 2_646 2_646 no C10 H6 H8 32.3(5) 2_646 2_646 2_646 no H2 H6 H3 25.3(5) 3_757 3_757 3_757 no H2 H6 H4 60.5(5) 3_757 3_757 3_757 no H2 H6 H5 63.3(9) 3_757 3_757 3_757 no H2 H6 H6 123.9(5) 3_757 3_757 3_757 no H2 H6 H7 110.5(8) 3_757 3_757 3_757 no H2 H6 H7 148.1(6) 3_757 3_757 3_757 no H2 H6 H8 136.1(7) 3_757 3_757 3_757 no H2 H6 H8 112.0(8) 3_757 3_757 3_757 no H3 H6 H4 61.0(4) 2_747 2_747 2_747 no H3 H6 H5 81.6(9) 2_747 2_747 2_747 no H3 H6 H6 137.3(4) 2_747 2_747 2_747 no H3 H6 H7 85.7(7) 2_747 2_747 2_747 no H3 H6 H7 134.8(6) 2_747 2_747 2_747 no H3 H6 H8 157.4(7) 2_747 2_747 2_747 no H3 H6 H8 117.5(7) 2_747 2_747 2_747 no H4 H6 H5 43.1(11) . . . no H4 H6 H6 77.3(4) . . . no H4 H6 H7 104.6(6) . . . no H4 H6 H7 88.1(5) . . . no H4 H6 H8 130.6(8) . . . no H4 H6 H8 166.8(8) . . . no H5 H6 H6 60.6(9) . . . no H5 H6 H7 147.3(14) . . . no H5 H6 H7 98.2(12) . . . no H5 H6 H8 96.6(12) . . . no H5 H6 H8 124.6(14) . . . no H6 H6 H7 115.0(6) 4 4 4 no H6 H6 H7 44.6(4) 4 4 4 no H6 H6 H8 55.0(5) 4 4 4 no H6 H6 H8 101.0(6) 4 4 4 no H7 H6 H7 70.3(9) . . . no H7 H6 H8 106.3(7) . . . no H7 H6 H8 88.0(6) . . . no H7 H6 H8 67.8(6) 4 4 4 no H7 H6 H8 99.9(6) 4 4 4 no H8 H6 H8 46.0(9) 2_656 2_656 2_656 no CL1 H7 CL2 77.0(5) 2_646 2_646 2_646 no CL1 H7 O1 141.8(6) 2_646 2_646 2_646 no CL1 H7 N2 101.4(5) 2_646 2_646 2_646 no CL1 H7 C1 120.9(5) 2_646 2_646 2_646 no CL1 H7 C4 79.1(4) 2_646 2_646 2_646 no CL1 H7 C6 60.1(3) 2_646 2_646 2_646 no CL1 H7 C7 107.5(7) 2_646 2_646 2_646 no CL1 H7 C8 106.3(12) 2_646 2_646 2_646 no CL1 H7 C8 109.2(5) 2_646 2_646 2_646 no CL1 H7 C8 70.8(4) 2_646 2_646 2_646 no CL1 H7 C9 100.3(6) 2_646 2_646 2_646 no CL1 H7 C9 108.2(5) 2_646 2_646 2_646 no CL1 H7 C9 74.5(4) 2_646 2_646 2_646 no CL1 H7 C10 104.5(5) 2_646 2_646 2_646 no CL1 H7 H1 106.3(6) 2_646 2_646 2_646 no CL1 H7 H2 123.3(7) 2_646 2_646 2_646 no CL1 H7 H2 139.5(8) 2_646 2_646 2_646 no CL1 H7 H6 47.6(4) 2_646 2_646 2_646 no CL1 H7 H6 66.7(4) 2_646 2_646 2_646 no CL1 H7 H7 70.6(4) 2_646 2_646 2_646 no CL1 H7 H8 93.0(7) 2_646 2_646 2_646 no CL1 H7 H8 77.8(5) 2_646 2_646 2_646 no CL2 H7 O1 83.8(5) . . . no CL2 H7 N2 80.8(5) . . . no CL2 H7 C1 73.3(4) . . . no CL2 H7 C4 71.7(4) . . . no CL2 H7 C6 83.6(4) . . . no CL2 H7 C7 115.2(8) . . . no CL2 H7 C8 151.6(16) . . . no CL2 H7 C8 128.7(7) . . . no CL2 H7 C8 68.7(5) . . . no CL2 H7 C9 173.6(12) . . . no CL2 H7 C9 150.4(8) . . . no CL2 H7 C9 89.0(6) . . . no CL2 H7 C10 171.6(9) . . . no CL2 H7 H1 29.3(4) . . . no CL2 H7 H2 58.1(5) . . . no CL2 H7 H2 65.5(5) . . . no CL2 H7 H6 85.2(6) . . . no CL2 H7 H6 97.2(5) . . . no CL2 H7 H7 60.4(5) . . . no CL2 H7 H8 150.0(12) . . . no CL2 H7 H8 102.1(9) . . . no O1 H7 N2 42.4(3) . . . no O1 H7 C1 21.0(1) . . . no O1 H7 C4 63.5(4) . . . no O1 H7 C6 85.4(5) . . . no O1 H7 C7 52.6(5) . . . no O1 H7 C8 76.7(13) . . . no O1 H7 C8 59.7(4) . . . no O1 H7 C8 131.4(6) . . . no O1 H7 C9 101.6(8) . . . no O1 H7 C9 74.5(5) . . . no O1 H7 C9 138.4(6) . . . no O1 H7 C10 90.3(6) . . . no O1 H7 H1 60.5(3) . . . no O1 H7 H2 69.2(5) . . . no O1 H7 H2 50.2(5) . . . no O1 H7 H6 98.7(7) . . . no O1 H7 H6 83.6(6) . . . no O1 H7 H7 126.4(4) . . . no O1 H7 H8 118.4(9) . . . no O1 H7 H8 139.1(7) . . . no N2 H7 C1 24.7(2) . . . no N2 H7 C4 22.7(2) . . . no N2 H7 C6 43.0(3) . . . no N2 H7 C7 34.4(4) . . . no N2 H7 C8 70.9(13) . . . no N2 H7 C8 47.9(4) . . . no N2 H7 C8 149.4(7) . . . no N2 H7 C9 105.5(10) . . . no N2 H7 C9 69.6(6) . . . no N2 H7 C9 169.7(8) . . . no N2 H7 C10 90.8(7) . . . no N2 H7 H1 76.0(4) . . . no N2 H7 H2 103.2(6) . . . no N2 H7 H2 87.6(7) . . . no N2 H7 H6 56.3(5) . . . no N2 H7 H6 43.1(4) . . . no N2 H7 H7 141.1(5) . . . no N2 H7 H8 129.2(12) . . . no N2 H7 H8 176.7(9) . . . no C1 H7 C4 43.4(3) . . . no C1 H7 C6 66.7(4) . . . no C1 H7 C7 48.4(4) . . . no C1 H7 C8 81.4(13) . . . no C1 H7 C8 59.8(4) . . . no C1 H7 C8 136.1(6) . . . no C1 H7 C9 113.0(9) . . . no C1 H7 C9 79.6(5) . . . no C1 H7 C9 151.6(6) . . . no C1 H7 C10 99.2(7) . . . no C1 H7 H1 58.1(3) . . . no C1 H7 H2 79.4(5) . . . no C1 H7 H2 63.0(5) . . . no C1 H7 H6 79.8(6) . . . no C1 H7 H6 67.8(5) . . . no C1 H7 H7 128.5(4) . . . no C1 H7 H8 134.1(10) . . . no C1 H7 H8 157.7(7) . . . no C4 H7 C6 24.5(2) . . . no C4 H7 C7 48.0(4) . . . no C4 H7 C8 81.1(13) . . . no C4 H7 C8 60.5(4) . . . no C4 H7 C8 134.3(6) . . . no C4 H7 C9 113.7(9) . . . no C4 H7 C9 80.6(5) . . . no C4 H7 C9 150.2(6) . . . no C4 H7 C10 100.4(7) . . . no C4 H7 H1 78.5(4) . . . no C4 H7 H2 112.8(5) . . . no C4 H7 H2 102.0(6) . . . no C4 H7 H6 36.9(4) . . . no C4 H7 H6 31.4(3) . . . no C4 H7 H7 127.4(4) . . . no C4 H7 H8 134.8(10) . . . no C4 H7 H8 156.9(7) . . . no C6 H7 C7 52.2(5) . . . no C6 H7 C8 74.5(12) . . . no C6 H7 C8 60.5(4) . . . no C6 H7 C8 127.8(6) . . . no C6 H7 C9 100.1(8) . . . no C6 H7 C9 74.9(5) . . . no C6 H7 C9 134.5(6) . . . no C6 H7 C10 90.0(6) . . . no C6 H7 H1 98.9(5) . . . no C6 H7 H2 135.0(6) . . . no C6 H7 H2 126.4(7) . . . no C6 H7 H6 13.2(4) . . . no C6 H7 H6 14.0(3) . . . no C6 H7 H7 124.2(4) . . . no C6 H7 H8 116.1(9) . . . no C6 H7 H8 135.2(6) . . . no C7 H7 C8 36.4(9) . . . no C7 H7 C8 13.5(2) . . . no C7 H7 C8 175.5(8) . . . no C7 H7 C9 71.1(8) . . . no C7 H7 C9 35.2(4) . . . no C7 H7 C9 155.7(8) . . . no C7 H7 C10 56.4(5) . . . no C7 H7 H1 106.5(7) . . . no C7 H7 H2 121.4(8) . . . no C7 H7 H2 102.1(9) . . . no C7 H7 H6 62.0(6) . . . no C7 H7 H6 41.6(5) . . . no C7 H7 H7 175.3(5) . . . no C7 H7 H8 94.7(10) . . . no C7 H7 H8 142.6(9) . . . no C8 H7 C8 23.0(9) . . . no C8 H7 C8 139.5(14) . . . no C8 H7 C9 34.6(7) . . . no C8 H7 C9 2.1(9) . . . no C8 H7 C9 119.3(13) . . . no C8 H7 C10 20.0(8) . . . no C8 H7 H1 137.2(15) . . . no C8 H7 H2 129.9(13) . . . no C8 H7 H2 113.9(14) . . . no C8 H7 H6 77.7(12) . . . no C8 H7 H6 60.6(12) . . . no C8 H7 H7 147.9(12) . . . no C8 H7 H8 58.3(11) . . . no C8 H7 H8 106.2(13) . . . no C8 H7 C8 162.5(6) 4 4 4 no C8 H7 C9 57.6(6) 4 4 4 no C8 H7 C9 21.7(2) 4 4 4 no C8 H7 C9 142.3(5) 4 4 4 no C8 H7 C10 42.9(3) 4 4 4 no C8 H7 H1 117.6(6) 4 4 4 no C8 H7 H2 125.2(7) 4 4 4 no C8 H7 H2 106.0(8) 4 4 4 no C8 H7 H6 68.1(6) 4 4 4 no C8 H7 H6 48.0(5) 4 4 4 no C8 H7 H7 170.9(3) 4 4 4 no C8 H7 H8 81.3(9) 4 4 4 no C8 H7 H8 129.2(7) 4 4 4 no C8 H7 C9 105.0(8) 4_545 4_545 4_545 no C8 H7 C9 140.9(5) 4_545 4_545 4_545 no C8 H7 C9 20.3(1) 4_545 4_545 4_545 no C8 H7 C10 119.6(6) 4_545 4_545 4_545 no C8 H7 H1 78.1(5) 4_545 4_545 4_545 no C8 H7 H2 62.3(5) 4_545 4_545 4_545 no C8 H7 H2 81.5(7) 4_545 4_545 4_545 no C8 H7 H6 117.2(7) 4_545 4_545 4_545 no C8 H7 H6 137.3(6) 4_545 4_545 4_545 no C8 H7 H7 8.4(3) 4_545 4_545 4_545 no C8 H7 H8 81.3(9) 4_545 4_545 4_545 no C8 H7 H8 33.4(4) 4_545 4_545 4_545 no C9 H7 C9 35.9(5) . . . no C9 H7 C9 84.7(6) . . . no C9 H7 C10 14.7(3) . . . no C9 H7 H1 152.6(8) . . . no C9 H7 H2 120.5(7) . . . no C9 H7 H2 115.3(7) . . . no C9 H7 H6 97.2(8) . . . no C9 H7 H6 86.9(7) . . . no C9 H7 H7 113.3(7) . . . no C9 H7 H8 23.7(7) . . . no C9 H7 H8 71.6(7) . . . no C9 H7 C9 120.6(5) 4 4 4 no C9 H7 C10 21.2(2) 4 4 4 no C9 H7 H1 135.1(6) 4 4 4 no C9 H7 H2 128.1(6) 4 4 4 no C9 H7 H2 112.0(7) 4 4 4 no C9 H7 H6 78.5(6) 4 4 4 no C9 H7 H6 61.0(5) 4 4 4 no C9 H7 H7 149.2(3) 4 4 4 no C9 H7 H8 59.6(8) 4 4 4 no C9 H7 H8 107.5(6) 4 4 4 no C9 H7 C10 99.4(4) 4_545 4_545 4_545 no C9 H7 H1 95.8(5) 4_545 4_545 4_545 no C9 H7 H2 72.3(5) 4_545 4_545 4_545 no C9 H7 H2 89.6(7) 4_545 4_545 4_545 no C9 H7 H6 121.6(7) 4_545 4_545 4_545 no C9 H7 H6 138.0(5) 4_545 4_545 4_545 no C9 H7 H7 28.6(3) 4_545 4_545 4_545 no C9 H7 H8 61.0(8) 4_545 4_545 4_545 no C9 H7 H8 13.1(4) 4_545 4_545 4_545 no C10 H7 H1 148.3(7) . . . no C10 H7 H2 125.1(6) . . . no C10 H7 H2 114.9(7) . . . no C10 H7 H6 89.8(6) . . . no C10 H7 H6 76.1(5) . . . no C10 H7 H7 128.0(4) . . . no C10 H7 H8 38.3(7) . . . no C10 H7 H8 86.3(5) . . . no H1 H7 H2 36.4(5) 2_647 2_647 2_647 no H1 H7 H2 37.4(5) 2_647 2_647 2_647 no H1 H7 H6 105.6(6) 2_647 2_647 2_647 no H1 H7 H6 109.7(5) 2_647 2_647 2_647 no H1 H7 H7 70.5(4) 2_647 2_647 2_647 no H1 H7 H8 145.0(10) 2_647 2_647 2_647 no H1 H7 H8 107.3(7) 2_647 2_647 2_647 no H2 H7 H2 19.4(7) 2_647 2_647 2_647 no H2 H7 H6 141.7(7) 2_647 2_647 2_647 no H2 H7 H6 144.0(6) 2_647 2_647 2_647 no H2 H7 H7 58.4(5) 2_647 2_647 2_647 no H2 H7 H8 108.6(8) 2_647 2_647 2_647 no H2 H7 H8 79.8(6) 2_647 2_647 2_647 no H2 H7 H6 137.4(7) 3_657 3_657 3_657 no H2 H7 H6 130.7(8) 3_657 3_657 3_657 no H2 H7 H7 77.8(6) 3_657 3_657 3_657 no H2 H7 H8 111.7(8) 3_657 3_657 3_657 no H2 H7 H8 95.1(7) 3_657 3_657 3_657 no H6 H7 H6 20.4(6) . . . no H6 H7 H7 115.0(6) . . . no H6 H7 H8 109.0(9) . . . no H6 H7 H8 122.0(7) . . . no H6 H7 H7 135.4(4) 4 4 4 no H6 H7 H8 104.7(9) 4 4 4 no H6 H7 H8 134.2(6) 4 4 4 no H7 H7 H8 89.7(8) 4_545 4_545 4_545 no H7 H7 H8 41.7(5) 4_545 4_545 4_545 no H8 H7 H8 47.9(10) . . . no CL1 H8 CL1 108.7(6) . . . no CL1 H8 C6 69.5(4) . . . no CL1 H8 C7 95.2(7) . . . no CL1 H8 C8 109.7(11) . . . no CL1 H8 C8 73.9(6) . . . no CL1 H8 C8 164.2(8) . . . no CL1 H8 C8 79.7(4) . . . no CL1 H8 C9 72.8(13) . . . no CL1 H8 C9 52.1(5) . . . no CL1 H8 C9 143.6(7) . . . no CL1 H8 C9 68.5(4) . . . no CL1 H8 C9 94.2(5) . . . no CL1 H8 C10 38.1(4) . . . no CL1 H8 C10 88.5(5) . . . no CL1 H8 H6 84.1(5) . . . no CL1 H8 H6 61.4(5) . . . no CL1 H8 H7 133.6(12) . . . no CL1 H8 H7 177.6(9) . . . no CL1 H8 H8 136.1(5) . . . no CL1 H8 H8 62.6(6) . . . no CL1 H8 H8 89.8(8) . . . no CL1 H8 C6 104.0(6) 2_546 2_546 2_546 no CL1 H8 C7 100.7(5) 2_546 2_546 2_546 no CL1 H8 C8 95.2(6) 2_546 2_546 2_546 no CL1 H8 C8 107.1(5) 2_546 2_546 2_546 no CL1 H8 C8 68.3(4) 2_546 2_546 2_546 no CL1 H8 C8 152.8(8) 2_546 2_546 2_546 no CL1 H8 C9 107.4(13) 2_546 2_546 2_546 no CL1 H8 C9 111.5(6) 2_546 2_546 2_546 no CL1 H8 C9 67.3(4) 2_546 2_546 2_546 no CL1 H8 C9 42.5(2) 2_546 2_546 2_546 no CL1 H8 C9 154.4(8) 2_546 2_546 2_546 no CL1 H8 C10 112.6(8) 2_546 2_546 2_546 no CL1 H8 C10 27.4(2) 2_546 2_546 2_546 no CL1 H8 H6 98.8(7) 2_546 2_546 2_546 no CL1 H8 H6 111.8(7) 2_546 2_546 2_546 no CL1 H8 H7 85.1(7) 2_546 2_546 2_546 no CL1 H8 H7 70.0(5) 2_546 2_546 2_546 no CL1 H8 H8 67.7(4) 2_546 2_546 2_546 no CL1 H8 H8 46.0(5) 2_546 2_546 2_546 no CL1 H8 H8 161.4(10) 2_546 2_546 2_546 no C6 H8 C7 154.0(7) 2_646 2_646 2_646 no C6 H8 C8 160.0(8) 2_646 2_646 2_646 no C6 H8 C8 137.8(6) 2_646 2_646 2_646 no C6 H8 C8 95.8(6) 2_646 2_646 2_646 no C6 H8 C8 53.6(3) 2_646 2_646 2_646 no C6 H8 C9 136.8(15) 2_646 2_646 2_646 no C6 H8 C9 118.1(6) 2_646 2_646 2_646 no C6 H8 C9 76.5(5) 2_646 2_646 2_646 no C6 H8 C9 77.5(4) 2_646 2_646 2_646 no C6 H8 C9 72.8(3) 2_646 2_646 2_646 no C6 H8 C10 105.2(7) 2_646 2_646 2_646 no C6 H8 C10 79.7(4) 2_646 2_646 2_646 no C6 H8 H6 14.7(3) 2_646 2_646 2_646 no C6 H8 H6 10.2(4) 2_646 2_646 2_646 no C6 H8 H7 151.6(10) 2_646 2_646 2_646 no C6 H8 H7 108.8(8) 2_646 2_646 2_646 no C6 H8 H8 69.4(4) 2_646 2_646 2_646 no C6 H8 H8 87.7(7) 2_646 2_646 2_646 no C6 H8 H8 84.0(6) 2_646 2_646 2_646 no C7 H8 C8 14.6(3) . . . no C7 H8 C8 21.3(2) . . . no C7 H8 C8 100.7(5) . . . no C7 H8 C8 104.3(6) . . . no C7 H8 C9 22.4(9) . . . no C7 H8 C9 43.1(3) . . . no C7 H8 C9 121.2(6) . . . no C7 H8 C9 117.4(6) . . . no C7 H8 C9 88.1(5) . . . no C7 H8 C10 57.1(6) . . . no C7 H8 C10 122.1(5) . . . no C7 H8 H6 159.6(7) . . . no C7 H8 H6 144.3(8) . . . no C7 H8 H7 38.4(7) . . . no C7 H8 H7 87.1(5) . . . no C7 H8 H8 128.8(4) . . . no C7 H8 H8 104.1(9) . . . no C7 H8 H8 74.9(7) . . . no C8 H8 C8 35.9(5) . . . no C8 H8 C8 86.1(6) . . . no C8 H8 C8 106.5(7) . . . no C8 H8 C9 37.0(8) . . . no C8 H8 C9 57.7(6) . . . no C8 H8 C9 106.6(8) . . . no C8 H8 C9 121.5(7) . . . no C8 H8 C9 87.5(6) . . . no C8 H8 C10 71.7(8) . . . no C8 H8 C10 120.3(7) . . . no C8 H8 H6 156.0(9) . . . no C8 H8 H6 153.0(10) . . . no C8 H8 H7 23.8(6) . . . no C8 H8 H7 72.5(7) . . . no C8 H8 H8 114.2(7) . . . no C8 H8 H8 110.0(10) . . . no C8 H8 H8 76.1(8) . . . no C8 H8 C8 121.9(5) 4 4 4 no C8 H8 C8 100.1(5) 4 4 4 no C8 H8 C9 1.1(9) 4 4 4 no C8 H8 C9 21.8(2) 4 4 4 no C8 H8 C9 142.5(6) 4 4 4 no C8 H8 C9 107.9(6) 4 4 4 no C8 H8 C9 89.9(5) 4 4 4 no C8 H8 C10 35.8(4) 4 4 4 no C8 H8 C10 120.0(6) 4 4 4 no C8 H8 H6 150.2(7) 4 4 4 no C8 H8 H6 127.6(8) 4 4 4 no C8 H8 H7 59.7(8) 4 4 4 no C8 H8 H7 108.3(6) 4 4 4 no C8 H8 H8 150.0(3) 4 4 4 no C8 H8 H8 93.7(9) 4 4 4 no C8 H8 H8 75.6(7) 4 4 4 no C8 H8 C8 96.4(5) 4_545 4_545 4_545 no C8 H8 C9 123.0(13) 4_545 4_545 4_545 no C8 H8 C9 143.7(6) 4_545 4_545 4_545 no C8 H8 C9 20.6(2) 4_545 4_545 4_545 no C8 H8 C9 103.5(6) 4_545 4_545 4_545 no C8 H8 C9 86.5(5) 4_545 4_545 4_545 no C8 H8 C10 157.7(8) 4_545 4_545 4_545 no C8 H8 C10 83.0(5) 4_545 4_545 4_545 no C8 H8 H6 81.1(6) 4_545 4_545 4_545 no C8 H8 H6 104.6(7) 4_545 4_545 4_545 no C8 H8 H7 62.2(8) 4_545 4_545 4_545 no C8 H8 H7 13.6(4) 4_545 4_545 4_545 no C8 H8 H8 28.1(3) 4_545 4_545 4_545 no C8 H8 H8 112.6(9) 4_545 4_545 4_545 no C8 H8 H8 94.4(8) 4_545 4_545 4_545 no C8 H8 C9 99.8(13) 3_656 3_656 3_656 no C8 H8 C9 94.2(5) 3_656 3_656 3_656 no C8 H8 C9 90.4(5) 3_656 3_656 3_656 no C8 H8 C9 128.7(5) 3_656 3_656 3_656 no C8 H8 C9 20.91(10) 3_656 3_656 3_656 no C8 H8 C10 90.2(7) 3_656 3_656 3_656 no C8 H8 C10 133.0(6) 3_656 3_656 3_656 no C8 H8 H6 55.4(4) 3_656 3_656 3_656 no C8 H8 H6 48.4(4) 3_656 3_656 3_656 no C8 H8 H7 108.2(8) 3_656 3_656 3_656 no C8 H8 H7 100.6(6) 3_656 3_656 3_656 no C8 H8 H8 88.1(4) 3_656 3_656 3_656 no C8 H8 H8 134.3(8) 3_656 3_656 3_656 no C8 H8 H8 30.4(3) 3_656 3_656 3_656 no C9 H8 C9 20.7(9) . . . no C9 H8 C9 143.6(14) . . . no C9 H8 C9 107.4(14) . . . no C9 H8 C9 89.9(13) . . . no C9 H8 C10 34.7(9) . . . no C9 H8 C10 119.9(14) . . . no C9 H8 H6 149.4(15) . . . no C9 H8 H6 126.6(15) . . . no C9 H8 H7 60.8(12) . . . no C9 H8 H7 109.4(13) . . . no C9 H8 H8 151.2(12) . . . no C9 H8 H8 93.2(16) . . . no C9 H8 H8 75.6(13) . . . no C9 H8 C9 164.3(6) 4 4 4 no C9 H8 C9 96.5(6) 4 4 4 no C9 H8 C9 91.4(6) 4 4 4 no C9 H8 C10 14.0(3) 4 4 4 no C9 H8 C10 113.7(6) 4 4 4 no C9 H8 H6 132.3(7) 4 4 4 no C9 H8 H6 108.4(7) 4 4 4 no C9 H8 H7 81.5(9) 4 4 4 no C9 H8 H7 130.1(7) 4 4 4 no C9 H8 H8 171.8(3) 4 4 4 no C9 H8 H8 82.9(9) 4 4 4 no C9 H8 H8 78.0(8) 4 4 4 no C9 H8 C9 92.3(5) 4_545 4_545 4_545 no C9 H8 C9 87.5(5) 4_545 4_545 4_545 no C9 H8 C10 178.3(8) 4_545 4_545 4_545 no C9 H8 C10 72.9(5) 4_545 4_545 4_545 no C9 H8 H6 61.9(6) 4_545 4_545 4_545 no C9 H8 H6 85.9(7) 4_545 4_545 4_545 no C9 H8 H7 82.8(9) 4_545 4_545 4_545 no C9 H8 H7 34.2(4) 4_545 4_545 4_545 no C9 H8 H8 7.5(3) 4_545 4_545 4_545 no C9 H8 H8 104.5(9) 4_545 4_545 4_545 no C9 H8 H8 99.1(9) 4_545 4_545 4_545 no C9 H8 C9 149.5(5) 3_556 3_556 3_556 no C9 H8 C10 88.5(7) 3_556 3_556 3_556 no C9 H8 C10 20.50(11) 3_556 3_556 3_556 no C9 H8 H6 81.4(5) 3_556 3_556 3_556 no C9 H8 H6 80.7(5) 3_556 3_556 3_556 no C9 H8 H7 123.0(8) 3_556 3_556 3_556 no C9 H8 H7 109.7(7) 3_556 3_556 3_556 no C9 H8 H8 88.1(4) 3_556 3_556 3_556 no C9 H8 H8 14.2(4) 3_556 3_556 3_556 no C9 H8 H8 155.3(8) 3_556 3_556 3_556 no C9 H8 C10 92.5(7) 3_656 3_656 3_656 no C9 H8 C10 149.3(7) 3_656 3_656 3_656 no C9 H8 H6 71.6(5) 3_656 3_656 3_656 no C9 H8 H6 68.9(5) 3_656 3_656 3_656 no C9 H8 H7 87.3(7) 3_656 3_656 3_656 no C9 H8 H7 86.7(5) 3_656 3_656 3_656 no C9 H8 H8 88.0(4) 3_656 3_656 3_656 no C9 H8 H8 154.3(8) 3_656 3_656 3_656 no C9 H8 H8 14.3(4) 3_656 3_656 3_656 no C10 H8 C10 107.8(7) . . . no C10 H8 H6 119.7(8) . . . no C10 H8 H6 95.7(7) . . . no C10 H8 H7 95.5(11) . . . no C10 H8 H7 144.1(9) . . . no C10 H8 H8 174.1(5) . . . no C10 H8 H8 76.2(9) . . . no C10 H8 H8 80.7(9) . . . no C10 H8 H6 78.3(5) 2_546 2_546 2_546 no C10 H8 H6 86.0(6) 2_546 2_546 2_546 no C10 H8 H7 112.6(8) 2_546 2_546 2_546 no C10 H8 H7 89.6(6) 2_546 2_546 2_546 no C10 H8 H8 69.6(4) 2_546 2_546 2_546 no C10 H8 H8 31.6(5) 2_546 2_546 2_546 no C10 H8 H8 163.0(10) 2_546 2_546 2_546 no H6 H8 H6 24.0(7) 2_646 2_646 2_646 no H6 H8 H7 138.9(11) 2_646 2_646 2_646 no H6 H8 H7 94.1(8) 2_646 2_646 2_646 no H6 H8 H8 55.0(5) 2_646 2_646 2_646 no H6 H8 H8 93.8(8) 2_646 2_646 2_646 no H6 H8 H8 84.7(7) 2_646 2_646 2_646 no H6 H8 H7 154.0(10) 3_656 3_656 3_656 no H6 H8 H7 117.1(9) 3_656 3_656 3_656 no H6 H8 H8 79.0(6) 3_656 3_656 3_656 no H6 H8 H8 89.1(7) 3_656 3_656 3_656 no H6 H8 H8 78.4(7) 3_656 3_656 3_656 no H7 H8 H7 48.6(10) . . . no H7 H8 H8 90.3(8) . . . no H7 H8 H8 116.4(10) . . . no H7 H8 H8 80.4(8) . . . no H7 H8 H8 41.7(5) 4_545 4_545 4_545 no H7 H8 H8 116.0(9) 4_545 4_545 4_545 no H7 H8 H8 91.5(8) 4_545 4_545 4_545 no H8 H8 H8 101.0(8) 4_545 4_545 4_545 no H8 H8 H8 100.6(8) 4_545 4_545 4_545 no H8 H8 H8 152.4(13) 3_556 3_556 3_556 no #------------------------------------------------------------------------------ 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 O1 H5 2.34(3) . 1_455 no O1 H4 2.82(2) . 1_455 no O1 H2 2.82(2) . 3_657 no O1 H2 2.82(2) . 2_657 no O1 C6 3.217(3) . 1_455 no O1 C3 3.560(2) . 1_455 no H7 H7 2.66(5) . 4_545 no H8 H8 2.63(5) . 4_545 no #------------------------------------------------------------------------------ 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? # -- ENTER TORSION ANGLES HERE, ONE PER LINE -- # e.g. C1 C2 C3 C4 52.8(1) . . . . yes #------------------------------------------------------------------------------ #============================================================================== # Additional structures and associated data_? identifiers # should be added at this point if there is more than one # structure analysis in the CIF. #============================================================================== # End of CIF #==============================================================================