# Electronic Supplementary Material (ESI) for CrystEngComm # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_Aniline_I_100K _database_code_depnum_ccdc_archive 'CCDC 893032' #TrackingRef 'aniiline.cif' _audit_creation_date 12-03-21 _audit_creation_method CRYSTALS_ver_14.23 _oxford_structure_analysis_title 'trans in P2(1)/c' _chemical_name_systematic ? _chemical_melting_point ? _refine_ls_weighting_scheme _refine_ls_weighting_details ; #end of refcif _cell_length_a 21.5674(8) _cell_length_b 5.8052(2) _cell_length_c 8.2949(3) _cell_angle_alpha 90 _cell_angle_beta 101.043(2) _cell_angle_gamma 90 _cell_volume 1019.32(6) _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P 1 21/c 1 ' _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z -x,y+1/2,-z+1/2 x,-y+1/2,z+1/2 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512 0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4' H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998 0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4' N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826 -11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4' _cell_formula_units_Z 8 # Given Formula = C6 H7 N1 # Dc = 1.21 Fooo = 400.00 Mu = 0.73 M = 186.26 # Found Formula = C6 H7 N1 # Dc = 1.21 FOOO = 400.00 Mu = 0.73 M = 186.26 _chemical_formula_sum 'C6 H7 N1' _chemical_formula_moiety 'C6 H7 N1' _chemical_compound_source ? _chemical_formula_weight 93.13 _cell_measurement_reflns_used 3844 _cell_measurement_theta_min 4 _cell_measurement_theta_max 25 _cell_measurement_temperature 100 _exptl_crystal_description cylinder _exptl_crystal_colour colourless _exptl_crystal_size_min 0.120 _exptl_crystal_size_mid 0.120 _exptl_crystal_size_max 0.800 _exptl_crystal_density_diffrn 1.214 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' # Non-dispersive F(000): _exptl_crystal_F_000 400 _exptl_absorpt_coefficient_mu 0.073 # Sheldrick geometric approximatio 0.99 0.99 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Siemens, 1996)' _exptl_absorpt_correction_T_min 0.81 _exptl_absorpt_correction_T_max 0.99 _diffrn_measurement_device_type 'Bruker Kappa Apex2' _diffrn_measurement_device Area _diffrn_radiation_monochromator graphite _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_measurement_method \w # If a reference occurs more than once, delete the author # and date from subsequent references. _computing_data_collection 'Apex2 (Bruker AXS, 2006)' _computing_cell_refinement 'Apex2 (Bruker AXS, 2006)' _computing_data_reduction 'Apex2 (Bruker AXS, 2006)' _computing_structure_solution 'SIR92 (Altomare et al., 1994)' _computing_structure_refinement 'CRYSTALS (Betteridge et al., 2003)' _computing_publication_material 'CRYSTALS (Betteridge et al., 2003)' _computing_molecular_graphics 'CAMERON (Watkin et al., 1996)' _diffrn_standards_interval_time . _diffrn_standards_interval_count . _diffrn_standards_number 0 _diffrn_standards_decay_% ? _diffrn_ambient_temperature 100 _diffrn_reflns_number 9647 _reflns_number_total 1797 _diffrn_reflns_av_R_equivalents 0.043 # Number of reflections without Friedels Law is 0 # Number of reflections with Friedels Law is 1797 # Theoretical number of reflections is about 3659 _diffrn_reflns_theta_min 0.962 _diffrn_reflns_theta_max 25.154 _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.154 _diffrn_measured_fraction_theta_full 0.997 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 9 _reflns_limit_h_min -25 _reflns_limit_h_max 25 _reflns_limit_k_min 0 _reflns_limit_k_max 6 _reflns_limit_l_min 0 _reflns_limit_l_max 9 _oxford_diffrn_Wilson_B_factor 1.43 _oxford_diffrn_Wilson_scale 0.13 _atom_sites_solution_primary Direct #heavy,direct,difmap,geom # _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens difmap _refine_diff_density_min -0.18 _refine_diff_density_max 0.27 # The current dictionary definitions do not cover the # situation where the reflections used for refinement were # selected by a user-defined sigma threshold # The values actually used during refinement _oxford_reflns_threshold_expression_ref I>-10.0\s(I) _refine_ls_number_reflns 1796 _refine_ls_number_restraints 10 _refine_ls_number_parameters 144 _oxford_refine_ls_R_factor_ref 0.0465 _refine_ls_wR_factor_ref 0.0981 _refine_ls_goodness_of_fit_ref 1.0005 _refine_ls_shift/su_max 0.0015481 _refine_ls_shift/su_mean 0.0001415 # The values computed from all data _oxford_reflns_number_all 1796 _refine_ls_R_factor_all 0.0465 _refine_ls_wR_factor_all 0.0981 # The values computed with a 2 sigma cutoff - a la SHELX _reflns_threshold_expression I>2.0\s(I) _reflns_number_gt 1542 _refine_ls_R_factor_gt 0.0393 _refine_ls_wR_factor_gt 0.0949 # choose from: rm (reference molecule of known chirality), # ad (anomolous dispersion - Flack), rmad (rm and ad), # syn (from synthesis), unk (unknown) or . (not applicable). _chemical_absolute_configuration . _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_hydrogen_treatment mixed # none, undef, noref, refall, # refxyz, refU, constr or mixed _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; Method= Modified Sheldrick w=1/[\s^2^(F^2^) + ( 0.04P)^2^ + 0.61P] ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 ; # Insert your own references if required - in alphabetical order loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_adp_type _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_attached_hydrogens N11 N 0.69028(6) 0.2450(2) 0.66609(16) 0.0221 1.0000 Uani D . . . . . C11 C 0.65335(7) 0.3961(3) 0.73688(17) 0.0177 1.0000 Uani D . . . . . C21 C 0.59346(7) 0.3309(3) 0.76178(18) 0.0197 1.0000 Uani . . . . . . C31 C 0.55925(7) 0.4761(3) 0.84447(18) 0.0219 1.0000 Uani . . . . . . C41 C 0.58299(7) 0.6880(3) 0.90276(19) 0.0244 1.0000 Uani . . . . . . C51 C 0.64194(7) 0.7551(3) 0.87525(18) 0.0204 1.0000 Uani . . . . . . C61 C 0.67655(7) 0.6116(3) 0.79262(17) 0.0196 1.0000 Uani . . . . . . H111 H 0.6699(4) 0.131(2) 0.6059(16) 0.033(5) 1.0000 Uiso D . . . . . H112 H 0.7193(6) 0.3074(13) 0.6170(16) 0.035(5) 1.0000 Uiso D . . . . . N12 N 0.80779(6) 0.2127(2) -0.01099(16) 0.0208 1.0000 Uani D . . . . . C12 C 0.84483(7) 0.3697(3) 0.09265(18) 0.0175 1.0000 Uani D . . . . . C22 C 0.90557(7) 0.3101(3) 0.17368(19) 0.0207 1.0000 Uani . . . . . . C32 C 0.94047(7) 0.4598(3) 0.28674(19) 0.0226 1.0000 Uani . . . . . . C42 C 0.91623(7) 0.6714(3) 0.32041(19) 0.0227 1.0000 Uani . . . . . . C52 C 0.85627(7) 0.7330(3) 0.23790(18) 0.0198 1.0000 Uani . . . . . . C62 C 0.82077(7) 0.5851(3) 0.12570(18) 0.0191 1.0000 Uani . . . . . . H121 H 0.8280(4) 0.098(2) -0.0479(15) 0.041(6) 1.0000 Uiso D . . . . . H122 H 0.7792(6) 0.2716(13) -0.0903(13) 0.027(5) 1.0000 Uiso D . . . . . H21 H 0.5762 0.1867 0.7219 0.0236 1.0000 Uiso . . . . . . H31 H 0.5188 0.4294 0.8615 0.0263 1.0000 Uiso . . . . . . H41 H 0.5594 0.7857 0.9605 0.0293 1.0000 Uiso . . . . . . H51 H 0.6586 0.9008 0.9135 0.0245 1.0000 Uiso . . . . . . H61 H 0.7166 0.6606 0.7737 0.0235 1.0000 Uiso . . . . . . H22 H 0.9231 0.1662 0.1514 0.0248 1.0000 Uiso . . . . . . H32 H 0.9816 0.4163 0.3417 0.0271 1.0000 Uiso . . . . . . H42 H 0.9402 0.7725 0.3985 0.0272 1.0000 Uiso . . . . . . H52 H 0.8394 0.8787 0.2588 0.0237 1.0000 Uiso . . . . . . H62 H 0.7798 0.6301 0.0707 0.0230 1.0000 Uiso . . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 N11 0.0211(7) 0.0241(7) 0.0227(7) -0.0018(6) 0.0078(5) 0.0014(6) C11 0.0178(7) 0.0219(8) 0.0130(7) 0.0036(6) 0.0016(5) 0.0030(6) C21 0.0192(7) 0.0199(8) 0.0189(8) 0.0010(6) 0.0010(6) -0.0008(6) C31 0.0170(7) 0.0283(9) 0.0212(8) 0.0025(7) 0.0055(6) 0.0018(6) C41 0.0254(8) 0.0283(10) 0.0200(8) -0.0001(7) 0.0054(6) 0.0073(7) C51 0.0272(8) 0.0176(8) 0.0146(7) 0.0005(6) -0.0002(6) -0.0012(6) C61 0.0186(7) 0.0242(9) 0.0155(7) 0.0040(6) 0.0020(6) -0.0027(6) N12 0.0189(7) 0.0239(8) 0.0190(7) -0.0030(6) 0.0025(5) 0.0015(6) C12 0.0186(7) 0.0200(8) 0.0157(7) 0.0012(6) 0.0077(6) -0.0013(6) C22 0.0192(8) 0.0222(9) 0.0223(8) 0.0021(6) 0.0080(6) 0.0019(6) C32 0.0153(7) 0.0273(9) 0.0246(8) 0.0037(7) 0.0026(6) -0.0023(6) C42 0.0234(8) 0.0246(9) 0.0207(8) -0.0011(7) 0.0061(6) -0.0067(7) C52 0.0233(8) 0.0177(8) 0.0206(8) 0.0002(6) 0.0101(6) 0.0006(6) C62 0.0181(7) 0.0223(8) 0.0181(7) 0.0042(6) 0.0062(6) 0.0024(6) _refine_ls_extinction_method None _oxford_refine_ls_scale 2.84(4) loop_ _oxford_twin_element_scale_factors 0.9865(8) 0.0135(8) loop_ _geom_bond_atom_site_label_1 _geom_bond_site_symmetry_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag N11 . C11 . 1.3888(19) yes N11 . H111 . 0.891(9) no N11 . H112 . 0.886(9) no C11 . C21 . 1.399(2) yes C11 . C61 . 1.393(2) yes C21 . C31 . 1.385(2) yes C21 . H21 . 0.950 no C31 . C41 . 1.383(2) yes C31 . H31 . 0.950 no C41 . C51 . 1.390(2) yes C41 . H41 . 0.950 no C51 . C61 . 1.385(2) yes C51 . H51 . 0.950 no C61 . H61 . 0.950 no N12 . C12 . 1.3947(19) yes N12 . H121 . 0.881(9) no N12 . H122 . 0.881(9) no C12 . C22 . 1.396(2) yes C12 . C62 . 1.401(2) yes C22 . C32 . 1.390(2) yes C22 . H22 . 0.950 no C32 . C42 . 1.384(2) yes C32 . H32 . 0.950 no C42 . C52 . 1.389(2) yes C42 . H42 . 0.950 no C52 . C62 . 1.384(2) yes C52 . H52 . 0.950 no C62 . H62 . 0.950 no loop_ _geom_angle_atom_site_label_1 _geom_angle_site_symmetry_1 _geom_angle_atom_site_label_2 _geom_angle_site_symmetry_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C11 . N11 . H111 . 116.3(4) no C11 . N11 . H112 . 116.6(4) no H111 . N11 . H112 . 111.2(5) no N11 . C11 . C21 . 120.81(14) yes N11 . C11 . C61 . 120.61(13) yes C21 . C11 . C61 . 118.50(14) yes C11 . C21 . C31 . 120.20(14) yes C11 . C21 . H21 . 119.9 no C31 . C21 . H21 . 119.9 no C21 . C31 . C41 . 121.15(14) yes C21 . C31 . H31 . 119.4 no C41 . C31 . H31 . 119.4 no C31 . C41 . C51 . 118.74(14) yes C31 . C41 . H41 . 120.6 no C51 . C41 . H41 . 120.6 no C41 . C51 . C61 . 120.63(15) yes C41 . C51 . H51 . 119.7 no C61 . C51 . H51 . 119.7 no C11 . C61 . C51 . 120.75(14) yes C11 . C61 . H61 . 119.6 no C51 . C61 . H61 . 119.6 no C12 . N12 . H121 . 116.3(5) no C12 . N12 . H122 . 116.3(4) no H121 . N12 . H122 . 110.8(5) no N12 . C12 . C22 . 120.55(14) yes N12 . C12 . C62 . 120.94(13) yes C22 . C12 . C62 . 118.40(14) yes C12 . C22 . C32 . 120.43(14) yes C12 . C22 . H22 . 119.8 no C32 . C22 . H22 . 119.8 no C22 . C32 . C42 . 120.97(14) yes C22 . C32 . H32 . 119.5 no C42 . C32 . H32 . 119.5 no C32 . C42 . C52 . 118.75(14) yes C32 . C42 . H42 . 120.6 no C52 . C42 . H42 . 120.6 no C42 . C52 . C62 . 120.97(15) yes C42 . C52 . H52 . 119.5 no C62 . C52 . H52 . 119.5 no C12 . C62 . C52 . 120.46(14) yes C12 . C62 . H62 . 119.8 no C52 . C62 . H62 . 119.8 no _iucr_refine_instruction_details_constraints ; # # Punched on 21/03/12 at 10:45:44 # #LIST 12 BLOCK CONT SCALE CONT N ( 11 ,X'S,U'S) UNTIL C ( 61 ) CONT H ( 111 ,X'S,U[ISO]) UNTIL H ( 112 ) CONT N ( 12 ,X'S,U'S) UNTIL C ( 62 ) CONT H ( 121 ,X'S,U[ISO]) UNTIL H ( 122 ) SUMFIX ELEMENT SCALES END ; _iucr_refine_instruction_details_restraints ; # # Punched on 21/03/12 at 10:45:44 # #LIST 16 DIST 0.0, 0.01 = MEAN N(11) TO H(111) , N(11) TO H(112) CONT N(12) TO H(121) , N(12) TO H(122) ANGLE 0.0, 0.5 = MEAN H(111) TO N(11) TO H(112) , H(122) TO N(12) TO H(121) ANGLE 0.0, 0.5 = MEAN C(11) TO N(11) TO H(111) CONT C(11) TO N(11) TO H(112) CONT C(12) TO N(12) TO H(121) CONT C(12) TO N(12) TO H(122) END ; # Manually omitted reflections loop_ _oxford_refln_omitted_index_h _oxford_refln_omitted_index_k _oxford_refln_omitted_index_l _oxford_refln_omitted_flag _oxford_refln_omitted_details 8 5 1 x . data_Aniline_I_0_84GPa _database_code_depnum_ccdc_archive 'CCDC 893033' #TrackingRef 'aniiline.cif' _chemical_name_mineral aniline_1 _cell_length_a 21.3572(18) _cell_length_b 5.69835(60) _cell_length_c 8.18083(51) _cell_angle_alpha 90 _cell_angle_beta 100.973(12) _cell_angle_gamma 90 _cell_volume 977.41(15) _symmetry_space_group_name_H-M P21/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z ' '-x, y+1/2, -z+1/2 ' 'x, -y+1/2, z+1/2 ' '-x, -y, -z ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv N11 N 0 0.6967(20) 0.2573(54) 0.6672(35) 1 3.19(42) C11 C 0 0.6563(14) 0.4052(39) 0.7361(25) 1 3.19(42) C21 C 0 0.5976(13) 0.3297(41) 0.7565(24) 1 3.19(42) C31 C 0 0.55901(90) 0.4635(32) 0.8399(18) 1 3.19(42) C41 C 0 0.58004(76) 0.6831(23) 0.9060(17) 1 3.19(42) C51 C 0 0.64038(90) 0.7594(32) 0.8845(18) 1 3.19(42) C61 C 0 0.6771(13) 0.6187(41) 0.8000(24) 1 3.19(42) H111 D 0 0.6742(23) 0.1240(65) 0.5932(41) 1 4.79(62) H112 D 0 0.7282(23) 0.3416(65) 0.6059(41) 1 4.79(62) H21 D 0 0.5801(17) 0.1615(59) 0.7070(30) 1 3.83(50) H31 D 0 0.5132(13) 0.3935(53) 0.8517(22) 1 3.83(50) H41 D 0 0.55088(89) 0.7894(26) 0.9710(18) 1 3.83(50) H51 D 0 0.6597(13) 0.9263(53) 0.9319(22) 1 3.83(50) H61 D 0 0.7233(17) 0.6822(59) 0.7854(30) 1 3.83(50) N12 N 0 0.8093(14) 0.2151(60) -0.0034(25) 1 3.12(39) C12 C 0 0.8480(11) 0.3775(43) 0.0970(19) 1 3.12(39) C22 C 0 0.9077(11) 0.3166(41) 0.1781(20) 1 3.12(39) C32 C 0 0.94482(91) 0.4659(28) 0.2921(16) 1 3.12(39) C42 C 0 0.92121(77) 0.6864(23) 0.3267(14) 1 3.12(39) C52 C 0 0.85986(91) 0.7477(28) 0.2428(16) 1 3.12(39) C62 C 0 0.8247(11) 0.5918(41) 0.1299(20) 1 3.12(39) H121 D 0 0.8332(17) 0.0780(70) -0.0464(31) 1 4.68(59) H122 D 0 0.7770(17) 0.2866(70) -0.1005(31) 1 4.68(59) H22 D 0 0.9271(15) 0.1481(56) 0.1542(29) 1 3.75(47) H32 D 0 0.9916(14) 0.4069(45) 0.3519(22) 1 3.75(47) H42 D 0 0.94922(83) 0.8046(27) 0.4145(15) 1 3.75(47) H52 D 0 0.8386(14) 0.9143(45) 0.2630(22) 1 3.75(47) H62 D 0 0.7776(15) 0.6439(56) 0.0673(29) 1 3.75(47) 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 N11 H112 1.0314(37) 1_555 1_555 N11 H111 1.0314(37) 1_555 1_555 N11 C11 1.3993(37) 1_555 1_555 N11 H122 2.310(40) 1_555 1_556 N11 C61 2.4021(89) 1_555 1_555 N11 C21 2.4021(89) 1_555 1_555 N11 H61 2.629(12) 1_555 1_555 N11 H21 2.629(12) 1_555 1_555 N11 H51 2.646(44) 1_555 3_564 N11 N12 3.005(47) 1_555 3_555 N11 H122 3.038(42) 1_555 3_555 N11 H62 3.069(32) 1_555 3_555 N11 H51 3.086(38) 1_555 1_545 C11 C21 1.365(10) 1_555 1_555 C11 C61 1.365(10) 1_555 1_555 C11 N11 1.3993(37) 1_555 1_555 C11 H112 2.0611(60) 1_555 1_555 C11 H111 2.0611(60) 1_555 1_555 C11 H21 2.117(10) 1_555 1_555 C11 H61 2.117(10) 1_555 1_555 C11 C31 2.4125(52) 1_555 1_555 C11 C51 2.4125(52) 1_555 1_555 C11 H51 2.681(32) 1_555 3_564 C11 H122 2.753(43) 1_555 1_556 C11 C41 2.8203(37) 1_555 1_555 C11 H111 2.879(17) 1_555 3_555 C11 H51 3.159(19) 1_555 1_545 C21 H21 1.0788(35) 1_555 1_555 C21 C11 1.365(10) 1_555 1_555 C21 C31 1.3934(35) 1_555 1_555 C21 H31 2.1279(58) 1_555 1_555 C21 C61 2.343(21) 1_555 1_555 C21 N11 2.4021(89) 1_555 1_555 C21 C41 2.4224(59) 1_555 1_555 C21 H111 2.581(10) 1_555 1_555 C21 C51 2.750(11) 1_555 1_555 C21 H51 2.894(25) 1_555 1_545 C21 H111 2.935(23) 1_555 3_555 C31 H31 1.0788(35) 1_555 1_555 C31 C21 1.3934(35) 1_555 1_555 C31 C41 1.4026(36) 1_555 1_555 C31 H21 2.1294(90) 1_555 1_555 C31 H41 2.1679(47) 1_555 1_555 C31 C51 2.3988(75) 1_555 1_555 C31 C11 2.4125(52) 1_555 1_555 C31 C61 2.750(11) 1_555 1_555 C31 H111 2.941(32) 1_555 3_555 C31 H21 3.036(12) 1_555 3_555 C31 H21 3.133(59) 1_555 2_656 C31 H31 3.149(20) 1_555 2_656 C41 H41 1.0788(35) 1_555 1_555 C41 C51 1.4026(36) 1_555 1_555 C41 C31 1.4026(36) 1_555 1_555 C41 H51 2.1726(67) 1_555 1_555 C41 H31 2.1726(67) 1_555 1_555 C41 C61 2.4224(59) 1_555 1_555 C41 C21 2.4224(59) 1_555 1_555 C41 C11 2.8203(37) 1_555 1_555 C41 H31 2.872(25) 1_555 2_656 C41 H111 2.877(47) 1_555 3_555 C41 H31 3.096(37) 1_555 4_667 C41 H21 3.149(21) 1_555 3_555 C41 H21 3.175(20) 1_555 1_565 C51 H51 1.0788(35) 1_555 1_555 C51 C61 1.3934(35) 1_555 1_555 C51 C41 1.4026(36) 1_555 1_555 C51 H61 2.1294(90) 1_555 1_555 C51 H41 2.1679(47) 1_555 1_555 C51 C31 2.3988(75) 1_555 1_555 C51 C11 2.4125(52) 1_555 1_555 C51 C21 2.750(11) 1_555 1_555 C51 H111 2.783(46) 1_555 3_555 C51 H21 2.881(25) 1_555 1_565 C51 H62 3.098(26) 1_555 1_556 C61 H61 1.0788(35) 1_555 1_555 C61 C11 1.365(10) 1_555 1_555 C61 C51 1.3934(35) 1_555 1_555 C61 H51 2.1279(57) 1_555 1_555 C61 C21 2.343(21) 1_555 1_555 C61 N11 2.4021(89) 1_555 1_555 C61 C41 2.4224(59) 1_555 1_555 C61 H112 2.621(10) 1_555 1_555 C61 C31 2.750(11) 1_555 1_555 C61 H62 2.762(27) 1_555 1_556 C61 H111 2.780(25) 1_555 3_555 C61 H122 2.852(48) 1_555 1_556 C61 H51 2.974(12) 1_555 3_564 H111 N11 1.0314(37) 1_555 1_555 H111 H112 1.684(11) 1_555 1_555 H111 C11 2.0611(60) 1_555 1_555 H111 H21 2.378(14) 1_555 1_555 H111 C21 2.581(10) 1_555 1_555 H111 H62 2.727(36) 1_555 3_555 H111 C61 2.780(25) 1_555 3_554 H111 C51 2.783(46) 1_555 3_554 H111 H51 2.872(58) 1_555 3_564 H111 C41 2.877(47) 1_555 3_554 H111 C11 2.879(17) 1_555 3_554 H111 C21 2.935(23) 1_555 3_554 H111 C31 2.941(32) 1_555 3_554 H111 H122 2.987(58) 1_555 3_555 H111 H61 3.047(27) 1_555 1_545 H111 H51 3.061(41) 1_555 1_545 H111 H122 3.140(45) 1_555 1_556 H112 N11 1.0314(37) 1_555 1_555 H112 H111 1.684(11) 1_555 1_555 H112 C11 2.0611(60) 1_555 1_555 H112 N12 2.119(40) 1_555 3_555 H112 H51 2.264(38) 1_555 3_564 H112 H122 2.267(36) 1_555 3_555 H112 H61 2.448(15) 1_555 1_555 H112 H122 2.449(39) 1_555 1_556 H112 C61 2.621(10) 1_555 1_555 H112 H121 2.802(53) 1_555 3_555 H112 H52 2.827(51) 1_555 3_565 H112 C12 2.860(32) 1_555 3_555 H112 H62 2.999(48) 1_555 3_555 H112 H62 3.152(63) 1_555 3_565 H112 C62 3.198(35) 1_555 3_555 H21 C21 1.0788(35) 1_555 1_555 H21 C11 2.117(10) 1_555 1_555 H21 C31 2.1294(90) 1_555 1_555 H21 H111 2.378(14) 1_555 1_555 H21 H31 2.417(14) 1_555 1_555 H21 H31 2.484(60) 1_555 2_646 H21 H51 2.622(35) 1_555 1_545 H21 N11 2.629(12) 1_555 1_555 H21 C51 2.881(25) 1_555 1_545 H21 H41 2.988(37) 1_555 2_646 H21 H31 3.002(16) 1_555 3_554 H21 C31 3.036(12) 1_555 3_554 H21 C31 3.133(59) 1_555 2_646 H21 C41 3.149(21) 1_555 3_554 H21 H41 3.173(34) 1_555 1_545 H21 C41 3.175(20) 1_555 1_545 H31 C31 1.0788(35) 1_555 1_555 H31 C21 2.1279(58) 1_555 1_555 H31 C41 2.1726(67) 1_555 1_555 H31 H41 2.411(32) 1_555 4_667 H31 H21 2.417(14) 1_555 1_555 H31 H21 2.484(60) 1_555 2_656 H31 H41 2.5283(97) 1_555 1_555 H31 H41 2.796(27) 1_555 2_646 H31 H31 2.863(50) 1_555 4_667 H31 C41 2.872(25) 1_555 2_646 H31 H21 3.002(16) 1_555 3_555 H31 C41 3.096(37) 1_555 4_667 H31 C31 3.149(20) 1_555 2_646 H41 C41 1.0788(35) 1_555 1_555 H41 C51 2.1679(47) 1_555 1_555 H41 C31 2.1679(47) 1_555 1_555 H41 H31 2.411(32) 1_555 4_667 H41 H51 2.5283(97) 1_555 1_555 H41 H31 2.5283(97) 1_555 1_555 H41 H31 2.796(27) 1_555 2_656 H41 H21 2.988(37) 1_555 2_656 H41 H21 3.173(34) 1_555 1_565 H51 C51 1.0788(35) 1_555 1_555 H51 C61 2.1279(57) 1_555 1_555 H51 C41 2.1726(67) 1_555 1_555 H51 H112 2.264(38) 1_555 3_565 H51 H61 2.417(14) 1_555 1_555 H51 H41 2.5283(97) 1_555 1_555 H51 H21 2.622(35) 1_555 1_565 H51 N11 2.646(44) 1_555 3_565 H51 C11 2.681(32) 1_555 3_565 H51 H111 2.872(58) 1_555 3_565 H51 C21 2.894(25) 1_555 1_565 H51 C61 2.974(12) 1_555 3_565 H51 H61 3.016(23) 1_555 3_565 H51 H62 3.017(35) 1_555 1_556 H51 H111 3.061(41) 1_555 1_565 H51 N11 3.086(38) 1_555 1_565 H51 C11 3.159(19) 1_555 1_565 H61 C61 1.0788(35) 1_555 1_555 H61 C11 2.117(10) 1_555 1_555 H61 C51 2.1294(90) 1_555 1_555 H61 H62 2.387(26) 1_555 1_556 H61 H51 2.417(14) 1_555 1_555 H61 H112 2.448(15) 1_555 1_555 H61 H62 2.510(35) 1_555 3_565 H61 H52 2.563(30) 1_555 3_565 H61 H122 2.619(53) 1_555 1_556 H61 N11 2.629(12) 1_555 1_555 H61 C62 3.002(36) 1_555 3_565 H61 H51 3.016(23) 1_555 3_564 H61 C52 3.029(27) 1_555 3_565 H61 H111 3.047(27) 1_555 1_565 N12 H121 1.0314(37) 1_555 1_555 N12 H122 1.0314(37) 1_555 1_555 N12 C12 1.3993(37) 1_555 1_555 N12 H112 2.119(40) 1_555 3_554 N12 C62 2.4021(89) 1_555 1_555 N12 C22 2.4021(89) 1_555 1_555 N12 H62 2.629(12) 1_555 1_555 N12 H22 2.629(12) 1_555 1_555 N12 H52 2.750(24) 1_555 1_545 N12 H52 2.993(35) 1_555 3_564 N12 N11 3.005(47) 1_555 3_554 C12 C62 1.365(10) 1_555 1_555 C12 C22 1.365(10) 1_555 1_555 C12 N12 1.3993(37) 1_555 1_555 C12 H121 2.0611(60) 1_555 1_555 C12 H122 2.0611(60) 1_555 1_555 C12 H62 2.117(10) 1_555 1_555 C12 H22 2.117(10) 1_555 1_555 C12 C52 2.4125(52) 1_555 1_555 C12 C32 2.4125(52) 1_555 1_555 C12 C42 2.8203(37) 1_555 1_555 C12 H112 2.860(32) 1_555 3_554 C12 H52 2.950(25) 1_555 3_564 C12 H52 2.993(11) 1_555 1_545 C12 H121 3.004(19) 1_555 3_555 C22 H22 1.0788(35) 1_555 1_555 C22 C12 1.365(10) 1_555 1_555 C22 C32 1.3934(35) 1_555 1_555 C22 H32 2.1279(58) 1_555 1_555 C22 C62 2.343(21) 1_555 1_555 C22 N12 2.4021(89) 1_555 1_555 C22 C42 2.4224(59) 1_555 1_555 C22 H121 2.577(10) 1_555 1_555 C22 C52 2.750(11) 1_555 1_555 C22 H52 2.881(28) 1_555 1_545 C22 H121 3.055(22) 1_555 3_555 C32 H32 1.0788(35) 1_555 1_555 C32 C22 1.3934(35) 1_555 1_555 C32 C42 1.4026(36) 1_555 1_555 C32 H22 2.1294(90) 1_555 1_555 C32 H42 2.1679(47) 1_555 1_555 C32 C52 2.3988(75) 1_555 1_555 C32 C12 2.4125(52) 1_555 1_555 C32 C62 2.750(11) 1_555 1_555 C32 H22 2.880(54) 1_555 2_755 C32 H121 2.948(30) 1_555 3_555 C32 H32 3.057(35) 1_555 4_766 C32 H22 3.125(10) 1_555 3_555 C32 H32 3.187(22) 1_555 2_755 C42 H42 1.0788(35) 1_555 1_555 C42 C32 1.4026(36) 1_555 1_555 C42 C52 1.4026(36) 1_555 1_555 C42 H32 2.1726(67) 1_555 1_555 C42 H52 2.1726(67) 1_555 1_555 C42 C22 2.4224(59) 1_555 1_555 C42 C62 2.4224(59) 1_555 1_555 C42 H121 2.762(41) 1_555 3_555 C42 C12 2.8203(37) 1_555 1_555 C42 H32 2.866(30) 1_555 2_755 C42 H32 2.967(27) 1_555 4_766 C42 H22 2.999(13) 1_555 1_565 C52 H52 1.0788(35) 1_555 1_555 C52 C62 1.3934(35) 1_555 1_555 C52 C42 1.4026(36) 1_555 1_555 C52 H62 2.1294(90) 1_555 1_555 C52 H42 2.1679(47) 1_555 1_555 C52 C32 2.3988(75) 1_555 1_555 C52 C12 2.4125(52) 1_555 1_555 C52 H121 2.668(36) 1_555 3_555 C52 C22 2.750(11) 1_555 1_555 C52 H22 2.862(28) 1_555 1_565 C52 H121 2.992(27) 1_555 1_565 C52 H61 3.029(27) 1_555 3_564 C62 H62 1.0788(35) 1_555 1_555 C62 C12 1.365(10) 1_555 1_555 C62 C52 1.3934(35) 1_555 1_555 C62 H52 2.1279(57) 1_555 1_555 C62 C22 2.343(21) 1_555 1_555 C62 N12 2.4021(89) 1_555 1_555 C62 C42 2.4224(59) 1_555 1_555 C62 H122 2.624(10) 1_555 1_555 C62 C32 2.750(11) 1_555 1_555 C62 H121 2.793(19) 1_555 3_555 C62 H61 3.002(36) 1_555 3_564 C62 H52 3.0722(90) 1_555 3_564 C62 H121 3.145(20) 1_555 1_565 C62 H112 3.198(35) 1_555 3_554 H121 N12 1.0314(37) 1_555 1_555 H121 H122 1.688(11) 1_555 1_555 H121 C12 2.0611(60) 1_555 1_555 H121 H22 2.371(14) 1_555 1_555 H121 C22 2.577(10) 1_555 1_555 H121 C52 2.668(36) 1_555 3_554 H121 H52 2.679(28) 1_555 1_545 H121 C42 2.762(41) 1_555 3_554 H121 C62 2.793(19) 1_555 3_554 H121 H112 2.802(53) 1_555 3_554 H121 C32 2.948(30) 1_555 3_554 H121 H62 2.969(28) 1_555 1_545 H121 C52 2.992(27) 1_555 1_545 H121 C12 3.004(19) 1_555 3_554 H121 C22 3.055(22) 1_555 3_554 H121 C62 3.145(20) 1_555 1_545 H122 N12 1.0314(37) 1_555 1_555 H122 H121 1.688(11) 1_555 1_555 H122 C12 2.0611(60) 1_555 1_555 H122 H112 2.267(36) 1_555 3_554 H122 N11 2.310(40) 1_555 1_554 H122 H112 2.449(39) 1_555 1_554 H122 H62 2.454(15) 1_555 1_555 H122 H52 2.538(33) 1_555 3_564 H122 H61 2.619(53) 1_555 1_554 H122 C62 2.624(10) 1_555 1_555 H122 C11 2.753(43) 1_555 1_554 H122 C61 2.852(48) 1_555 1_554 H122 H111 2.987(58) 1_555 3_554 H122 N11 3.038(42) 1_555 3_554 H122 H111 3.140(45) 1_555 1_554 H22 C22 1.0788(35) 1_555 1_555 H22 C12 2.117(10) 1_555 1_555 H22 C32 2.1294(90) 1_555 1_555 H22 H32 2.222(53) 1_555 2_745 H22 H121 2.371(14) 1_555 1_555 H22 H32 2.417(14) 1_555 1_555 H22 H52 2.604(40) 1_555 1_545 H22 N12 2.629(12) 1_555 1_555 H22 C52 2.862(28) 1_555 1_545 H22 H42 2.865(20) 1_555 1_545 H22 C32 2.880(54) 1_555 2_745 H22 H42 2.941(38) 1_555 2_745 H22 C42 2.999(13) 1_555 1_545 H22 H32 3.067(14) 1_555 3_554 H22 C32 3.125(10) 1_555 3_554 H32 C32 1.0788(35) 1_555 1_555 H32 C22 2.1279(58) 1_555 1_555 H32 C42 2.1726(67) 1_555 1_555 H32 H22 2.222(53) 1_555 2_755 H32 H42 2.405(25) 1_555 4_766 H32 H22 2.417(14) 1_555 1_555 H32 H42 2.5283(97) 1_555 1_555 H32 H32 2.607(39) 1_555 4_766 H32 H42 2.781(30) 1_555 2_745 H32 C42 2.866(30) 1_555 2_745 H32 C42 2.967(27) 1_555 4_766 H32 C32 3.057(35) 1_555 4_766 H32 H22 3.067(14) 1_555 3_555 H32 C32 3.187(22) 1_555 2_745 H42 C42 1.0788(35) 1_555 1_555 H42 C32 2.1679(47) 1_555 1_555 H42 C52 2.1679(47) 1_555 1_555 H42 H32 2.405(25) 1_555 4_766 H42 H32 2.5283(97) 1_555 1_555 H42 H52 2.5283(97) 1_555 1_555 H42 H32 2.781(30) 1_555 2_755 H42 H22 2.865(20) 1_555 1_565 H42 H22 2.941(38) 1_555 2_755 H52 C52 1.0788(35) 1_555 1_555 H52 C62 2.1279(57) 1_555 1_555 H52 C42 2.1726(67) 1_555 1_555 H52 H62 2.417(14) 1_555 1_555 H52 H42 2.5283(97) 1_555 1_555 H52 H122 2.538(33) 1_555 3_565 H52 H61 2.563(30) 1_555 3_564 H52 H22 2.604(40) 1_555 1_565 H52 H121 2.679(28) 1_555 1_565 H52 N12 2.750(24) 1_555 1_565 H52 H112 2.827(51) 1_555 3_564 H52 C22 2.881(28) 1_555 1_565 H52 C12 2.950(25) 1_555 3_565 H52 C12 2.993(11) 1_555 1_565 H52 N12 2.993(35) 1_555 3_565 H52 H62 3.039(17) 1_555 3_565 H52 C62 3.0722(90) 1_555 3_565 H62 C62 1.0788(35) 1_555 1_555 H62 C12 2.117(10) 1_555 1_555 H62 C52 2.1294(90) 1_555 1_555 H62 H61 2.387(26) 1_555 1_554 H62 H52 2.417(14) 1_555 1_555 H62 H122 2.454(15) 1_555 1_555 H62 H61 2.510(35) 1_555 3_564 H62 N12 2.629(12) 1_555 1_555 H62 H111 2.727(36) 1_555 3_554 H62 C61 2.762(27) 1_555 1_554 H62 H121 2.969(28) 1_555 1_565 H62 H112 2.999(48) 1_555 3_554 H62 H51 3.017(35) 1_555 1_554 H62 H52 3.039(17) 1_555 3_564 H62 N11 3.069(32) 1_555 3_554 H62 C51 3.098(26) 1_555 1_554 H62 H112 3.152(63) 1_555 3_564 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 H111 N11 H112 109.42(90) 1_555 1_555 1_555 C11 N11 H111 115.14(37) 1_555 1_555 1_555 C11 N11 H112 115.14(37) 1_555 1_555 1_555 H122 N11 C11 92.5(12) 1_556 1_555 1_555 H122 N11 H111 136.6(16) 1_556 1_555 1_555 H122 N11 H112 85.2(14) 1_556 1_555 1_555 C61 N11 H122 74.5(13) 1_555 1_555 1_556 C61 N11 C11 29.25(22) 1_555 1_555 1_555 C61 N11 H111 142.62(44) 1_555 1_555 1_555 C61 N11 H112 90.38(44) 1_555 1_555 1_555 C21 N11 C61 58.39(44) 1_555 1_555 1_555 C21 N11 H122 107.2(11) 1_555 1_555 1_556 C21 N11 C11 29.25(22) 1_555 1_555 1_555 C21 N11 H111 87.99(44) 1_555 1_555 1_555 C21 N11 H112 139.65(46) 1_555 1_555 1_555 H61 N11 C21 82.61(43) 1_555 1_555 1_555 H61 N11 C61 24.23(13) 1_555 1_555 1_555 H61 N11 H122 63.7(15) 1_555 1_555 1_556 H61 N11 C11 53.41(23) 1_555 1_555 1_555 H61 N11 H111 159.73(60) 1_555 1_555 1_555 H61 N11 H112 68.57(49) 1_555 1_555 1_555 H21 N11 H61 106.81(46) 1_555 1_555 1_555 H21 N11 C21 24.23(13) 1_555 1_555 1_555 H21 N11 C61 82.61(43) 1_555 1_555 1_555 H21 N11 H122 119.0(12) 1_555 1_555 1_556 H21 N11 C11 53.41(23) 1_555 1_555 1_555 H21 N11 H111 64.69(46) 1_555 1_555 1_555 H21 N11 H112 151.41(63) 1_555 1_555 1_555 H51 N11 H21 94.17(92) 3_564 1_555 1_555 H51 N11 H61 69.7(10) 3_564 1_555 1_555 H51 N11 C21 86.88(63) 3_564 1_555 1_555 H51 N11 C61 72.01(72) 3_564 1_555 1_555 H51 N11 H122 128.4(25) 3_564 1_555 1_556 H51 N11 C11 76.15(49) 3_564 1_555 1_555 H51 N11 H111 91.9(13) 3_564 1_555 1_555 H51 N11 H112 57.4(11) 3_564 1_555 1_555 N12 N11 H51 77.4(12) 3_555 1_555 3_564 N12 N11 H21 158.2(12) 3_555 1_555 1_555 N12 N11 H61 89.2(15) 3_555 1_555 1_555 N12 N11 C21 164.0(11) 3_555 1_555 1_555 N12 N11 C61 112.9(15) 3_555 1_555 1_555 N12 N11 H122 81.0(16) 3_555 1_555 1_556 N12 N11 C11 139.9(14) 3_555 1_555 1_555 N12 N11 H111 95.2(14) 3_555 1_555 1_555 N12 N11 H112 25.3(14) 3_555 1_555 1_555 H122 N11 N12 19.64(29) 3_555 1_555 3_555 H122 N11 H51 70.32(96) 3_555 1_555 3_564 H122 N11 H21 138.6(13) 3_555 1_555 1_555 H122 N11 H61 103.2(16) 3_555 1_555 1_555 H122 N11 C21 152.15(97) 3_555 1_555 1_555 H122 N11 C61 124.6(15) 3_555 1_555 1_555 H122 N11 H122 99.6(18) 3_555 1_555 1_556 H122 N11 C11 144.7(13) 3_555 1_555 1_555 H122 N11 H111 77.3(16) 3_555 1_555 1_555 H122 N11 H112 34.7(16) 3_555 1_555 1_555 H62 N11 H122 47.39(52) 3_555 1_555 3_555 H62 N11 N12 51.27(54) 3_555 1_555 3_555 H62 N11 H51 114.80(92) 3_555 1_555 3_564 H62 N11 H21 118.2(16) 3_555 1_555 1_555 H62 N11 H61 133.7(16) 3_555 1_555 1_555 H62 N11 C21 141.5(16) 3_555 1_555 1_555 H62 N11 C61 156.1(14) 3_555 1_555 1_555 H62 N11 H122 84.6(14) 3_555 1_555 1_556 H62 N11 C11 167.9(14) 3_555 1_555 1_555 H62 N11 H111 61.2(15) 3_555 1_555 1_555 H62 N11 H112 76.4(16) 3_555 1_555 1_555 H51 N11 H62 87.94(82) 1_545 1_555 3_555 H51 N11 H122 135.29(84) 1_545 1_555 3_555 H51 N11 N12 133.82(88) 1_545 1_555 3_555 H51 N11 H51 147.8(18) 1_545 1_555 3_564 H51 N11 H21 53.9(10) 1_545 1_555 1_555 H51 N11 H61 111.78(49) 1_545 1_555 1_555 H51 N11 C21 62.2(10) 1_545 1_555 1_555 H51 N11 C61 96.70(58) 1_545 1_555 1_555 H51 N11 H122 73.5(11) 1_545 1_555 1_556 H51 N11 C11 79.96(84) 1_545 1_555 1_555 H51 N11 H111 78.95(89) 1_545 1_555 1_555 H51 N11 H112 154.7(12) 1_545 1_555 1_555 C61 C11 C21 118.29(57) 1_555 1_555 1_555 N11 C11 C61 120.69(29) 1_555 1_555 1_555 N11 C11 C21 120.69(29) 1_555 1_555 1_555 H112 C11 N11 26.93(17) 1_555 1_555 1_555 H112 C11 C61 97.72(35) 1_555 1_555 1_555 H112 C11 C21 143.10(40) 1_555 1_555 1_555 H111 C11 H112 48.21(38) 1_555 1_555 1_555 H111 C11 N11 26.93(17) 1_555 1_555 1_555 H111 C11 C61 145.92(36) 1_555 1_555 1_555 H111 C11 C21 95.60(34) 1_555 1_555 1_555 H21 C11 H111 69.37(37) 1_555 1_555 1_555 H21 C11 H112 117.31(40) 1_555 1_555 1_555 H21 C11 N11 94.54(31) 1_555 1_555 1_555 H21 C11 C61 144.58(57) 1_555 1_555 1_555 H21 C11 C21 26.29(20) 1_555 1_555 1_555 H61 C11 H21 170.87(63) 1_555 1_555 1_555 H61 C11 H111 119.74(38) 1_555 1_555 1_555 H61 C11 H112 71.71(38) 1_555 1_555 1_555 H61 C11 N11 94.54(31) 1_555 1_555 1_555 H61 C11 C61 26.29(20) 1_555 1_555 1_555 H61 C11 C21 144.58(57) 1_555 1_555 1_555 C31 C11 H61 115.25(37) 1_555 1_555 1_555 C31 C11 H21 55.62(27) 1_555 1_555 1_555 C31 C11 H111 124.86(21) 1_555 1_555 1_555 C31 C11 H112 169.32(46) 1_555 1_555 1_555 C31 C11 N11 149.69(11) 1_555 1_555 1_555 C31 C11 C61 88.96(35) 1_555 1_555 1_555 C31 C11 C21 29.33(24) 1_555 1_555 1_555 C51 C11 C31 59.63(19) 1_555 1_555 1_555 C51 C11 H61 55.62(27) 1_555 1_555 1_555 C51 C11 H21 115.25(37) 1_555 1_555 1_555 C51 C11 H111 174.10(40) 1_555 1_555 1_555 C51 C11 H112 126.68(22) 1_555 1_555 1_555 C51 C11 N11 149.69(11) 1_555 1_555 1_555 C51 C11 C61 29.33(24) 1_555 1_555 1_555 C51 C11 C21 88.96(35) 1_555 1_555 1_555 H51 C11 C51 101.5(10) 3_564 1_555 1_555 H51 C11 C31 117.05(59) 3_564 1_555 1_555 H51 C11 H61 76.9(12) 3_564 1_555 1_555 H51 C11 H21 106.7(11) 3_564 1_555 1_555 H51 C11 H111 73.2(11) 3_564 1_555 1_555 H51 C11 H112 55.18(74) 3_564 1_555 1_555 H51 C11 N11 73.40(79) 3_564 1_555 1_555 H51 C11 C61 88.4(12) 3_564 1_555 1_555 H51 C11 C21 114.47(90) 3_564 1_555 1_555 H122 C11 H51 110.5(12) 1_556 1_555 3_564 H122 C11 C51 99.8(11) 1_556 1_555 1_555 H122 C11 C31 130.72(89) 1_556 1_555 1_555 H122 C11 H61 63.5(13) 1_556 1_555 1_555 H122 C11 H21 121.4(13) 1_556 1_555 1_555 H122 C11 H111 80.0(11) 1_556 1_555 1_555 H122 C11 H112 59.10(92) 1_556 1_555 1_555 H122 C11 N11 56.99(97) 1_556 1_555 1_555 H122 C11 C61 80.0(12) 1_556 1_555 1_555 H122 C11 C21 131.3(11) 1_556 1_555 1_555 C41 C11 H122 118.27(95) 1_555 1_555 1_556 C41 C11 H51 112.13(74) 1_555 1_555 3_564 C41 C11 C51 29.813(96) 1_555 1_555 1_555 C41 C11 C31 29.813(96) 1_555 1_555 1_555 C41 C11 H61 85.43(31) 1_555 1_555 1_555 C41 C11 H21 85.43(31) 1_555 1_555 1_555 C41 C11 H111 154.50(18) 1_555 1_555 1_555 C41 C11 H112 155.58(20) 1_555 1_555 1_555 C41 C11 N11 174.25(32) 1_555 1_555 1_555 C41 C11 C61 59.14(29) 1_555 1_555 1_555 C41 C11 C21 59.14(29) 1_555 1_555 1_555 H111 C11 C41 60.6(11) 3_555 1_555 1_555 H111 C11 H122 64.0(11) 3_555 1_555 1_556 H111 C11 H51 160.2(20) 3_555 1_555 3_564 H111 C11 C51 62.7(12) 3_555 1_555 1_555 H111 C11 C31 66.87(73) 3_555 1_555 1_555 H111 C11 H61 84.00(70) 3_555 1_555 1_555 H111 C11 H21 91.52(59) 3_555 1_555 1_555 H111 C11 H111 121.8(12) 3_555 1_555 1_555 H111 C11 H112 123.11(94) 3_555 1_555 1_555 H111 C11 N11 113.6(11) 3_555 1_555 1_555 H111 C11 C61 72.06(97) 3_555 1_555 1_555 H111 C11 C21 78.75(48) 3_555 1_555 1_555 H51 C11 H111 56.6(14) 1_545 1_555 3_555 H51 C11 C41 101.22(95) 1_545 1_555 1_555 H51 C11 H122 67.20(80) 1_545 1_555 1_556 H51 C11 H51 141.10(77) 1_545 1_555 3_564 H51 C11 C51 117.35(68) 1_545 1_555 1_555 H51 C11 C31 83.0(11) 1_545 1_555 1_555 H51 C11 H61 126.72(84) 1_545 1_555 1_555 H51 C11 H21 55.46(94) 1_545 1_555 1_555 H51 C11 H111 68.10(85) 1_545 1_555 1_555 H51 C11 H112 99.4(11) 1_545 1_555 1_555 H51 C11 N11 74.2(10) 1_545 1_555 1_555 H51 C11 C61 126.97(54) 1_545 1_555 1_555 H51 C11 C21 66.3(11) 1_545 1_555 1_555 C11 C21 H21 119.63(36) 1_555 1_555 1_555 C31 C21 C11 122.00(58) 1_555 1_555 1_555 C31 C21 H21 118.38(68) 1_555 1_555 1_555 H31 C21 C31 26.53(16) 1_555 1_555 1_555 H31 C21 C11 148.53(61) 1_555 1_555 1_555 H31 C21 H21 91.85(71) 1_555 1_555 1_555 C61 C21 H31 117.67(40) 1_555 1_555 1_555 C61 C21 C31 91.14(37) 1_555 1_555 1_555 C61 C21 C11 30.86(29) 1_555 1_555 1_555 C61 C21 H21 150.48(46) 1_555 1_555 1_555 N11 C21 C61 60.81(22) 1_555 1_555 1_555 N11 C21 H31 176.30(30) 1_555 1_555 1_555 N11 C21 C31 151.71(56) 1_555 1_555 1_555 N11 C21 C11 30.06(16) 1_555 1_555 1_555 N11 C21 H21 89.73(39) 1_555 1_555 1_555 C41 C21 N11 121.77(44) 1_555 1_555 1_555 C41 C21 C61 61.08(24) 1_555 1_555 1_555 C41 C21 H31 56.59(25) 1_555 1_555 1_555 C41 C21 C31 30.07(17) 1_555 1_555 1_555 C41 C21 C11 91.93(45) 1_555 1_555 1_555 C41 C21 H21 148.44(57) 1_555 1_555 1_555 H111 C21 C41 144.40(49) 1_555 1_555 1_555 H111 C21 N11 23.54(12) 1_555 1_555 1_555 H111 C21 C61 83.45(26) 1_555 1_555 1_555 H111 C21 H31 158.69(61) 1_555 1_555 1_555 H111 C21 C31 173.81(58) 1_555 1_555 1_555 H111 C21 C11 52.64(24) 1_555 1_555 1_555 H111 C21 H21 67.08(43) 1_555 1_555 1_555 C51 C21 H111 113.84(39) 1_555 1_555 1_555 C51 C21 C41 30.64(12) 1_555 1_555 1_555 C51 C21 N11 91.19(34) 1_555 1_555 1_555 C51 C21 C61 30.44(15) 1_555 1_555 1_555 C51 C21 H31 87.23(33) 1_555 1_555 1_555 C51 C21 C31 60.70(27) 1_555 1_555 1_555 C51 C21 C11 61.29(37) 1_555 1_555 1_555 C51 C21 H21 179.08(51) 1_555 1_555 1_555 H51 C21 C51 115.53(68) 1_545 1_555 1_555 H51 C21 H111 67.7(11) 1_545 1_555 1_555 H51 C21 C41 120.68(63) 1_545 1_555 1_555 H51 C21 N11 70.6(12) 1_545 1_555 1_555 H51 C21 C61 103.46(98) 1_545 1_555 1_555 H51 C21 H31 107.1(12) 1_545 1_555 1_555 H51 C21 C31 116.72(97) 1_545 1_555 1_555 H51 C21 C11 88.1(12) 1_545 1_555 1_555 H51 C21 H21 64.76(67) 1_545 1_555 1_555 H111 C21 H51 59.0(12) 3_555 1_555 1_545 H111 C21 C51 58.5(10) 3_555 1_555 1_555 H111 C21 H111 103.41(92) 3_555 1_555 1_555 H111 C21 C41 64.1(11) 3_555 1_555 1_555 H111 C21 N11 86.29(71) 3_555 1_555 1_555 H111 C21 C61 62.38(64) 3_555 1_555 1_555 H111 C21 H31 90.03(68) 3_555 1_555 1_555 H111 C21 C31 76.51(96) 3_555 1_555 1_555 H111 C21 C11 74.12(44) 3_555 1_555 1_555 H111 C21 H21 121.5(10) 3_555 1_555 1_555 C21 C31 H31 118.24(36) 1_555 1_555 1_555 C41 C31 C21 120.08(33) 1_555 1_555 1_555 C41 C31 H31 121.68(48) 1_555 1_555 1_555 H21 C31 C41 146.55(24) 1_555 1_555 1_555 H21 C31 C21 26.47(30) 1_555 1_555 1_555 H21 C31 H31 91.77(46) 1_555 1_555 1_555 H41 C31 H21 171.74(26) 1_555 1_555 1_555 H41 C31 C41 25.185(95) 1_555 1_555 1_555 H41 C31 C21 145.27(34) 1_555 1_555 1_555 H41 C31 H31 96.49(49) 1_555 1_555 1_555 C51 C31 H41 56.41(12) 1_555 1_555 1_555 C51 C31 H21 115.33(25) 1_555 1_555 1_555 C51 C31 C41 31.22(17) 1_555 1_555 1_555 C51 C31 C21 88.86(37) 1_555 1_555 1_555 C51 C31 H31 152.90(51) 1_555 1_555 1_555 C11 C31 C51 60.187(96) 1_555 1_555 1_555 C11 C31 H41 116.60(17) 1_555 1_555 1_555 C11 C31 H21 55.14(24) 1_555 1_555 1_555 C11 C31 C41 91.41(19) 1_555 1_555 1_555 C11 C31 C21 28.67(38) 1_555 1_555 1_555 C11 C31 H31 146.91(52) 1_555 1_555 1_555 C61 C31 C11 29.75(14) 1_555 1_555 1_555 C61 C31 C51 30.44(15) 1_555 1_555 1_555 C61 C31 H41 86.85(24) 1_555 1_555 1_555 C61 C31 H21 84.89(35) 1_555 1_555 1_555 C61 C31 C41 61.66(28) 1_555 1_555 1_555 C61 C31 C21 58.42(49) 1_555 1_555 1_555 C61 C31 H31 176.66(60) 1_555 1_555 1_555 H111 C31 C61 58.37(37) 3_555 1_555 1_555 H111 C31 C11 64.17(48) 3_555 1_555 1_555 H111 C31 C51 61.83(81) 3_555 1_555 1_555 H111 C31 H41 86.1(11) 3_555 1_555 1_555 H111 C31 H21 89.6(10) 3_555 1_555 1_555 H111 C31 C41 73.5(11) 3_555 1_555 1_555 H111 C31 C21 76.05(85) 3_555 1_555 1_555 H111 C31 H31 121.72(41) 3_555 1_555 1_555 H21 C31 H111 46.86(41) 3_555 1_555 3_555 H21 C31 C61 103.06(52) 3_555 1_555 1_555 H21 C31 C11 109.90(51) 3_555 1_555 1_555 H21 C31 C51 92.74(53) 3_555 1_555 1_555 H21 C31 H41 73.89(51) 3_555 1_555 1_555 H21 C31 H21 108.02(51) 3_555 1_555 1_555 H21 C31 C41 81.47(52) 3_555 1_555 1_555 H21 C31 C21 111.45(50) 3_555 1_555 1_555 H21 C31 H31 77.95(55) 3_555 1_555 1_555 H21 C31 H21 99.48(67) 2_656 1_555 3_555 H21 C31 H111 142.54(68) 2_656 1_555 3_555 H21 C31 C61 137.69(47) 2_656 1_555 1_555 H21 C31 C11 150.07(57) 2_656 1_555 1_555 H21 C31 C51 114.10(52) 2_656 1_555 1_555 H21 C31 H41 65.72(63) 2_656 1_555 1_555 H21 C31 H21 121.11(68) 2_656 1_555 1_555 H21 C31 C41 87.29(60) 2_656 1_555 1_555 H21 C31 C21 140.61(72) 2_656 1_555 1_555 H21 C31 H31 44.61(62) 2_656 1_555 1_555 H31 C31 H21 45.24(58) 2_656 1_555 2_656 H31 C31 H21 129.92(67) 2_656 1_555 3_555 H31 C31 H111 138.3(11) 2_656 1_555 3_555 H31 C31 C61 93.65(67) 2_656 1_555 1_555 H31 C31 C11 107.72(72) 2_656 1_555 1_555 H31 C31 C51 78.49(52) 2_656 1_555 1_555 H31 C31 H41 60.14(48) 2_656 1_555 1_555 H31 C31 H21 120.38(53) 2_656 1_555 1_555 H31 C31 C41 65.69(40) 2_656 1_555 1_555 H31 C31 C21 117.46(67) 2_656 1_555 1_555 H31 C31 H31 88.03(63) 2_656 1_555 1_555 C51 C41 H41 121.22(17) 1_555 1_555 1_555 C31 C41 C51 117.55(33) 1_555 1_555 1_555 C31 C41 H41 121.22(17) 1_555 1_555 1_555 H51 C41 C31 142.55(39) 1_555 1_555 1_555 H51 C41 C51 25.00(21) 1_555 1_555 1_555 H51 C41 H41 96.23(27) 1_555 1_555 1_555 H31 C41 H51 167.55(54) 1_555 1_555 1_555 H31 C41 C31 25.00(21) 1_555 1_555 1_555 H31 C41 C51 142.55(39) 1_555 1_555 1_555 H31 C41 H41 96.23(27) 1_555 1_555 1_555 C61 C41 H31 112.70(47) 1_555 1_555 1_555 C61 C41 H51 54.85(18) 1_555 1_555 1_555 C61 C41 C31 87.70(38) 1_555 1_555 1_555 C61 C41 C51 29.85(17) 1_555 1_555 1_555 C61 C41 H41 151.08(24) 1_555 1_555 1_555 C21 C41 C61 57.85(48) 1_555 1_555 1_555 C21 C41 H31 54.85(18) 1_555 1_555 1_555 C21 C41 H51 112.70(47) 1_555 1_555 1_555 C21 C41 C31 29.85(17) 1_555 1_555 1_555 C21 C41 C51 87.70(38) 1_555 1_555 1_555 C21 C41 H41 151.08(24) 1_555 1_555 1_555 C11 C41 C21 28.92(24) 1_555 1_555 1_555 C11 C41 C61 28.92(24) 1_555 1_555 1_555 C11 C41 H31 83.77(27) 1_555 1_555 1_555 C11 C41 H51 83.77(27) 1_555 1_555 1_555 C11 C41 C31 58.78(17) 1_555 1_555 1_555 C11 C41 C51 58.78(17) 1_555 1_555 1_555 C11 C41 H41 180.000000000000(89) 1_555 1_555 1_555 H31 C41 C11 104.89(68) 2_656 1_555 1_555 H31 C41 C21 97.39(47) 2_656 1_555 1_555 H31 C41 C61 108.73(77) 2_656 1_555 1_555 H31 C41 H31 80.22(39) 2_656 1_555 1_555 H31 C41 H51 103.04(54) 2_656 1_555 1_555 H31 C41 C31 87.88(31) 2_656 1_555 1_555 H31 C41 C51 107.65(70) 2_656 1_555 1_555 H31 C41 H41 75.11(68) 2_656 1_555 1_555 H111 C41 H31 163.98(90) 3_555 1_555 2_656 H111 C41 C11 60.69(62) 3_555 1_555 1_555 H111 C41 C21 66.63(81) 3_555 1_555 1_555 H111 C41 C61 62.60(35) 3_555 1_555 1_555 H111 C41 H31 90.70(72) 3_555 1_555 1_555 H111 C41 H51 83.20(64) 3_555 1_555 1_555 H111 C41 C31 78.61(82) 3_555 1_555 1_555 H111 C41 C51 71.94(43) 3_555 1_555 1_555 H111 C41 H41 119.31(62) 3_555 1_555 1_555 H31 C41 H111 92.44(98) 4_667 1_555 3_555 H31 C41 H31 95.1(12) 4_667 1_555 2_656 H31 C41 C11 137.60(99) 4_667 1_555 1_555 H31 C41 C21 112.7(10) 4_667 1_555 1_555 H31 C41 C61 154.98(82) 4_667 1_555 1_555 H31 C41 H31 62.99(89) 4_667 1_555 1_555 H31 C41 H51 127.90(76) 4_667 1_555 1_555 H31 C41 C31 85.60(91) 4_667 1_555 1_555 H31 C41 C51 147.38(61) 4_667 1_555 1_555 H31 C41 H41 42.40(99) 4_667 1_555 1_555 H21 C41 H31 46.9(11) 3_555 1_555 4_667 H21 C41 H111 46.21(46) 3_555 1_555 3_555 H21 C41 H31 137.02(65) 3_555 1_555 2_656 H21 C41 C11 96.94(44) 3_555 1_555 1_555 H21 C41 C21 84.22(38) 3_555 1_555 1_555 H21 C41 C61 108.19(53) 3_555 1_555 1_555 H21 C41 H31 65.72(44) 3_555 1_555 1_555 H21 C41 H51 115.94(46) 3_555 1_555 1_555 H21 C41 C31 72.40(39) 3_555 1_555 1_555 H21 C41 C51 115.32(51) 3_555 1_555 1_555 H21 C41 H41 83.06(44) 3_555 1_555 1_555 H21 C41 H21 159.43(70) 1_565 1_555 3_555 H21 C41 H31 120.84(59) 1_565 1_555 4_667 H21 C41 H111 136.6(10) 1_565 1_555 3_555 H21 C41 H31 48.2(11) 1_565 1_555 2_656 H21 C41 C11 99.93(93) 1_565 1_555 1_555 H21 C41 C21 116.08(69) 1_565 1_555 1_555 H21 C41 C61 82.1(11) 1_565 1_555 1_555 H21 C41 H31 127.73(81) 1_565 1_555 1_555 H21 C41 H51 54.94(95) 1_565 1_555 1_555 H21 C41 C31 126.85(54) 1_565 1_555 1_555 H21 C41 C51 65.1(11) 1_565 1_555 1_555 H21 C41 H41 80.07(93) 1_565 1_555 1_555 C61 C51 H51 118.24(36) 1_555 1_555 1_555 C41 C51 C61 120.08(33) 1_555 1_555 1_555 C41 C51 H51 121.68(48) 1_555 1_555 1_555 H61 C51 C41 146.55(24) 1_555 1_555 1_555 H61 C51 C61 26.47(30) 1_555 1_555 1_555 H61 C51 H51 91.77(46) 1_555 1_555 1_555 H41 C51 H61 171.74(26) 1_555 1_555 1_555 H41 C51 C41 25.185(95) 1_555 1_555 1_555 H41 C51 C61 145.27(34) 1_555 1_555 1_555 H41 C51 H51 96.49(49) 1_555 1_555 1_555 C31 C51 H41 56.41(12) 1_555 1_555 1_555 C31 C51 H61 115.33(25) 1_555 1_555 1_555 C31 C51 C41 31.22(17) 1_555 1_555 1_555 C31 C51 C61 88.86(37) 1_555 1_555 1_555 C31 C51 H51 152.90(51) 1_555 1_555 1_555 C11 C51 C31 60.187(96) 1_555 1_555 1_555 C11 C51 H41 116.60(17) 1_555 1_555 1_555 C11 C51 H61 55.14(24) 1_555 1_555 1_555 C11 C51 C41 91.41(19) 1_555 1_555 1_555 C11 C51 C61 28.67(38) 1_555 1_555 1_555 C11 C51 H51 146.91(52) 1_555 1_555 1_555 C21 C51 C11 29.75(14) 1_555 1_555 1_555 C21 C51 C31 30.44(15) 1_555 1_555 1_555 C21 C51 H41 86.85(24) 1_555 1_555 1_555 C21 C51 H61 84.89(35) 1_555 1_555 1_555 C21 C51 C41 61.66(28) 1_555 1_555 1_555 C21 C51 C61 58.42(49) 1_555 1_555 1_555 C21 C51 H51 176.66(60) 1_555 1_555 1_555 H111 C51 C21 64.08(72) 3_555 1_555 1_555 H111 C51 C11 66.86(83) 3_555 1_555 1_555 H111 C51 C31 68.71(54) 3_555 1_555 1_555 H111 C51 H41 90.18(64) 3_555 1_555 1_555 H111 C51 H61 86.22(68) 3_555 1_555 1_555 H111 C51 C41 79.43(53) 3_555 1_555 1_555 H111 C51 C61 75.40(80) 3_555 1_555 1_555 H111 C51 H51 115.77(70) 3_555 1_555 1_555 H21 C51 H111 166.5(17) 1_565 1_555 3_555 H21 C51 C21 115.61(68) 1_565 1_555 1_555 H21 C51 C11 120.26(63) 1_565 1_555 1_555 H21 C51 C31 103.97(99) 1_565 1_555 1_555 H21 C51 H41 76.4(12) 1_565 1_555 1_555 H21 C51 H61 107.3(12) 1_565 1_555 1_555 H21 C51 C41 88.7(12) 1_565 1_555 1_555 H21 C51 C61 116.56(97) 1_565 1_555 1_555 H21 C51 H51 65.39(69) 1_565 1_555 1_555 H62 C51 H21 134.68(74) 1_556 1_555 1_565 H62 C51 H111 54.95(98) 1_556 1_555 3_555 H62 C51 C21 102.1(10) 1_556 1_555 1_555 H62 C51 C11 81.62(99) 1_556 1_555 1_555 H62 C51 C31 121.03(95) 1_556 1_555 1_555 H62 C51 H41 132.16(57) 1_556 1_555 1_555 H62 C51 H61 50.26(63) 1_556 1_555 1_555 H62 C51 C41 132.92(67) 1_556 1_555 1_555 H62 C51 C61 63.07(87) 1_556 1_555 1_555 H62 C51 H51 75.6(11) 1_556 1_555 1_555 C11 C61 H61 119.63(36) 1_555 1_555 1_555 C51 C61 C11 122.00(58) 1_555 1_555 1_555 C51 C61 H61 118.38(68) 1_555 1_555 1_555 H51 C61 C51 26.53(16) 1_555 1_555 1_555 H51 C61 C11 148.53(61) 1_555 1_555 1_555 H51 C61 H61 91.85(71) 1_555 1_555 1_555 C21 C61 H51 117.67(40) 1_555 1_555 1_555 C21 C61 C51 91.14(37) 1_555 1_555 1_555 C21 C61 C11 30.86(29) 1_555 1_555 1_555 C21 C61 H61 150.48(46) 1_555 1_555 1_555 N11 C61 C21 60.81(22) 1_555 1_555 1_555 N11 C61 H51 176.30(30) 1_555 1_555 1_555 N11 C61 C51 151.71(56) 1_555 1_555 1_555 N11 C61 C11 30.06(16) 1_555 1_555 1_555 N11 C61 H61 89.73(39) 1_555 1_555 1_555 C41 C61 N11 121.77(44) 1_555 1_555 1_555 C41 C61 C21 61.08(24) 1_555 1_555 1_555 C41 C61 H51 56.59(25) 1_555 1_555 1_555 C41 C61 C51 30.07(17) 1_555 1_555 1_555 C41 C61 C11 91.93(45) 1_555 1_555 1_555 C41 C61 H61 148.44(57) 1_555 1_555 1_555 H112 C61 C41 142.35(50) 1_555 1_555 1_555 H112 C61 N11 23.18(12) 1_555 1_555 1_555 H112 C61 C21 81.82(28) 1_555 1_555 1_555 H112 C61 H51 159.55(59) 1_555 1_555 1_555 H112 C61 C51 170.38(55) 1_555 1_555 1_555 H112 C61 C11 51.21(25) 1_555 1_555 1_555 H112 C61 H61 68.86(44) 1_555 1_555 1_555 C31 C61 H112 112.05(40) 1_555 1_555 1_555 C31 C61 C41 30.64(12) 1_555 1_555 1_555 C31 C61 N11 91.19(34) 1_555 1_555 1_555 C31 C61 C21 30.44(15) 1_555 1_555 1_555 C31 C61 H51 87.23(33) 1_555 1_555 1_555 C31 C61 C51 60.70(27) 1_555 1_555 1_555 C31 C61 C11 61.29(37) 1_555 1_555 1_555 C31 C61 H61 179.08(51) 1_555 1_555 1_555 H62 C61 C31 120.99(66) 1_556 1_555 1_555 H62 C61 H112 99.2(11) 1_556 1_555 1_555 H62 C61 C41 107.33(73) 1_556 1_555 1_555 H62 C61 N11 103.1(11) 1_556 1_555 1_555 H62 C61 C21 126.04(93) 1_556 1_555 1_555 H62 C61 H51 74.9(11) 1_556 1_555 1_555 H62 C61 C51 90.20(96) 1_556 1_555 1_555 H62 C61 C11 119.8(11) 1_556 1_555 1_555 H62 C61 H61 58.71(71) 1_556 1_555 1_555 H111 C61 H62 58.96(83) 3_555 1_555 1_556 H111 C61 C31 64.26(59) 3_555 1_555 1_555 H111 C61 H112 107.7(12) 3_555 1_555 1_555 H111 C61 C41 66.74(92) 3_555 1_555 1_555 H111 C61 N11 89.9(11) 3_555 1_555 1_555 H111 C61 C21 69.31(65) 3_555 1_555 1_555 H111 C61 H51 86.4(11) 3_555 1_555 1_555 H111 C61 C51 75.6(11) 3_555 1_555 1_555 H111 C61 C11 80.09(96) 3_555 1_555 1_555 H111 C61 H61 115.70(59) 3_555 1_555 1_555 H122 C61 H111 64.0(15) 1_556 1_555 3_555 H122 C61 H62 51.82(65) 1_556 1_555 1_556 H122 C61 C31 113.9(12) 1_556 1_555 1_555 H122 C61 H112 52.97(86) 1_556 1_555 1_555 H122 C61 C41 130.01(99) 1_556 1_555 1_555 H122 C61 N11 51.31(97) 1_556 1_555 1_555 H122 C61 C21 93.3(12) 1_556 1_555 1_555 H122 C61 H51 126.54(99) 1_556 1_555 1_555 H122 C61 C51 134.53(82) 1_556 1_555 1_555 H122 C61 C11 71.9(11) 1_556 1_555 1_555 H122 C61 H61 66.6(12) 1_556 1_555 1_555 H51 C61 H122 100.04(86) 3_564 1_555 1_556 H51 C61 H111 144.3(22) 3_564 1_555 3_555 H51 C61 H62 137.30(81) 3_564 1_555 1_556 H51 C61 C31 98.7(10) 3_564 1_555 1_555 H51 C61 H112 47.22(80) 3_564 1_555 1_555 H51 C61 C41 115.14(68) 3_564 1_555 1_555 H51 C61 N11 57.8(10) 3_564 1_555 1_555 H51 C61 C21 80.7(12) 3_564 1_555 1_555 H51 C61 H51 125.8(10) 3_564 1_555 1_555 H51 C61 C51 125.31(62) 3_564 1_555 1_555 H51 C61 C11 64.3(13) 3_564 1_555 1_555 H51 C61 H61 81.81(99) 3_564 1_555 1_555 H112 H111 N11 35.29(45) 1_555 1_555 1_555 C11 H111 H112 65.89(19) 1_555 1_555 1_555 C11 H111 N11 37.92(24) 1_555 1_555 1_555 H21 H111 C11 56.43(30) 1_555 1_555 1_555 H21 H111 H112 122.00(27) 1_555 1_555 1_555 H21 H111 N11 92.22(48) 1_555 1_555 1_555 C21 H111 H21 24.70(13) 1_555 1_555 1_555 C21 H111 C11 31.76(25) 1_555 1_555 1_555 C21 H111 H112 97.37(26) 1_555 1_555 1_555 C21 H111 N11 68.47(40) 1_555 1_555 1_555 H62 H111 C21 153.7(13) 3_555 1_555 1_555 H62 H111 H21 146.9(17) 3_555 1_555 1_555 H62 H111 C11 136.0(15) 3_555 1_555 1_555 H62 H111 H112 82.0(18) 3_555 1_555 1_555 H62 H111 N11 99.4(17) 3_555 1_555 1_555 C61 H111 H62 60.18(68) 3_554 1_555 3_555 C61 H111 C21 142.5(11) 3_554 1_555 1_555 C61 H111 H21 122.8(14) 3_554 1_555 1_555 C61 H111 C11 155.9(15) 3_554 1_555 1_555 C61 H111 H112 107.0(18) 3_554 1_555 1_555 C61 H111 N11 142.0(19) 3_554 1_555 1_555 C51 H111 C61 29.01(38) 3_554 1_555 3_554 C51 H111 H62 68.41(74) 3_554 1_555 3_555 C51 H111 C21 123.9(15) 3_554 1_555 1_555 C51 H111 H21 99.9(15) 3_554 1_555 1_555 C51 H111 C11 154.7(14) 3_554 1_555 1_555 C51 H111 H112 135.3(16) 3_554 1_555 1_555 C51 H111 N11 167.4(15) 3_554 1_555 1_555 H51 H111 C51 115.2(12) 3_564 1_555 3_554 H51 H111 C61 93.8(14) 3_564 1_555 3_554 H51 H111 H62 118.8(20) 3_564 1_555 3_555 H51 H111 C21 79.00(47) 3_564 1_555 1_555 H51 H111 H21 94.28(68) 3_564 1_555 1_555 H51 H111 C11 63.35(48) 3_564 1_555 1_555 H51 H111 H112 51.97(96) 3_564 1_555 1_555 H51 H111 N11 67.05(92) 3_564 1_555 1_555 C41 H111 H51 107.2(13) 3_554 1_555 3_564 C41 H111 C51 28.63(49) 3_554 1_555 3_554 C41 H111 C61 50.67(70) 3_554 1_555 3_554 C41 H111 H62 96.5(10) 3_554 1_555 3_555 C41 H111 C21 96.0(10) 3_554 1_555 1_555 C41 H111 H21 72.9(10) 3_554 1_555 1_555 C41 H111 C11 126.1(10) 3_554 1_555 1_555 C41 H111 H112 151.9(11) 3_554 1_555 1_555 C41 H111 N11 164.0(11) 3_554 1_555 1_555 C11 H111 C41 58.68(61) 3_554 1_555 3_554 C11 H111 H51 66.6(12) 3_554 1_555 3_564 C11 H111 C51 50.41(48) 3_554 1_555 3_554 C11 H111 C61 27.84(27) 3_554 1_555 3_554 C11 H111 H62 80.89(72) 3_554 1_555 3_555 C11 H111 C21 125.23(89) 3_554 1_555 1_555 C11 H111 H21 116.35(76) 3_554 1_555 1_555 C11 H111 C11 128.1(15) 3_554 1_555 1_555 C11 H111 H112 93.6(15) 3_554 1_555 1_555 C11 H111 N11 126.5(17) 3_554 1_555 1_555 C21 H111 C11 27.13(27) 3_554 1_555 3_554 C21 H111 C41 49.25(54) 3_554 1_555 3_554 C21 H111 H51 59.77(93) 3_554 1_555 3_564 C21 H111 C51 57.42(61) 3_554 1_555 3_554 C21 H111 C61 48.31(53) 3_554 1_555 3_554 C21 H111 H62 106.99(84) 3_554 1_555 3_555 C21 H111 C21 98.65(73) 3_554 1_555 1_555 C21 H111 H21 89.91(59) 3_554 1_555 1_555 C21 H111 C11 109.4(11) 3_554 1_555 1_555 C21 H111 H112 104.1(11) 3_554 1_555 1_555 C21 H111 N11 126.8(14) 3_554 1_555 1_555 C31 H111 C21 27.43(25) 3_554 1_555 3_554 C31 H111 C11 48.96(42) 3_554 1_555 3_554 C31 H111 C41 27.87(37) 3_554 1_555 3_554 C31 H111 H51 79.9(11) 3_554 1_555 3_564 C31 H111 C51 49.46(68) 3_554 1_555 3_554 C31 H111 C61 57.37(64) 3_554 1_555 3_554 C31 H111 H62 115.6(11) 3_554 1_555 3_555 C31 H111 C21 85.10(64) 3_554 1_555 1_555 C31 H111 H21 68.66(58) 3_554 1_555 1_555 C31 H111 C11 108.12(79) 3_554 1_555 1_555 C31 H111 H112 129.8(11) 3_554 1_555 1_555 C31 H111 N11 140.6(11) 3_554 1_555 1_555 H122 H111 C31 104.81(98) 3_555 1_555 3_554 H122 H111 C21 79.69(84) 3_555 1_555 3_554 H122 H111 C11 55.94(76) 3_555 1_555 3_554 H122 H111 C41 109.33(92) 3_555 1_555 3_554 H122 H111 H51 68.3(14) 3_555 1_555 3_564 H122 H111 C51 86.50(89) 3_555 1_555 3_554 H122 H111 C61 59.15(97) 3_555 1_555 3_554 H122 H111 H62 50.63(86) 3_555 1_555 3_555 H122 H111 C21 143.1(14) 3_555 1_555 1_555 H122 H111 H21 162.4(13) 3_555 1_555 1_555 H122 H111 C11 113.7(14) 3_555 1_555 1_555 H122 H111 H112 48.9(14) 3_555 1_555 1_555 H122 H111 N11 83.0(14) 3_555 1_555 1_555 H61 H111 H122 101.5(10) 1_545 1_555 3_555 H61 H111 C31 112.5(11) 1_545 1_555 3_554 H61 H111 C21 129.3(10) 1_545 1_555 3_554 H61 H111 C11 116.22(89) 1_545 1_555 3_554 H61 H111 C41 84.78(85) 1_545 1_555 3_554 H61 H111 H51 166.1(18) 1_545 1_555 3_564 H61 H111 C51 72.02(71) 1_545 1_555 3_554 H61 H111 C61 88.39(85) 1_545 1_555 3_554 H61 H111 H62 51.16(87) 1_545 1_555 3_555 H61 H111 C21 107.3(11) 1_545 1_555 1_555 H61 H111 H21 96.1(12) 1_545 1_555 1_555 H61 H111 C11 115.64(93) 1_545 1_555 1_555 H61 H111 H112 114.3(11) 1_545 1_555 1_555 H61 H111 N11 103.3(10) 1_545 1_555 1_555 H51 H111 H61 46.61(53) 1_545 1_555 1_545 H51 H111 H122 139.0(16) 1_545 1_555 3_555 H51 H111 C31 111.1(15) 1_545 1_555 3_554 H51 H111 C21 138.5(16) 1_545 1_555 3_554 H51 H111 C11 151.7(18) 1_545 1_555 3_554 H51 H111 C41 94.4(13) 1_545 1_555 3_554 H51 H111 H51 136.37(53) 1_545 1_555 3_564 H51 H111 C51 102.0(14) 1_545 1_555 3_554 H51 H111 C61 128.4(16) 1_545 1_555 3_554 H51 H111 H62 95.0(12) 1_545 1_555 3_555 H51 H111 C21 61.03(88) 1_545 1_555 1_555 H51 H111 H21 56.0(11) 1_545 1_555 1_555 H51 H111 C11 73.23(56) 1_545 1_555 1_555 H51 H111 H112 113.68(87) 1_545 1_555 1_555 H51 H111 N11 81.74(84) 1_545 1_555 1_555 H122 H111 H51 64.04(84) 1_556 1_555 1_545 H122 H111 H61 73.28(99) 1_556 1_555 1_545 H122 H111 H122 84.3(16) 1_556 1_555 3_555 H122 H111 C31 167.4(10) 1_556 1_555 3_554 H122 H111 C21 154.4(19) 1_556 1_555 3_554 H122 H111 C11 139.8(17) 1_556 1_555 3_554 H122 H111 C41 156.3(17) 1_556 1_555 3_554 H122 H111 H51 95.8(16) 1_556 1_555 3_564 H122 H111 C51 141.4(13) 1_556 1_555 3_554 H122 H111 C61 135.1(13) 1_556 1_555 3_554 H122 H111 H62 76.9(15) 1_556 1_555 3_555 H122 H111 C21 82.46(88) 1_556 1_555 1_555 H122 H111 H21 100.11(88) 1_556 1_555 1_555 H122 H111 C11 59.69(94) 1_556 1_555 1_555 H122 H111 H112 50.7(10) 1_556 1_555 1_555 H122 H111 N11 30.4(11) 1_556 1_555 1_555 H111 H112 N11 35.29(45) 1_555 1_555 1_555 C11 H112 H111 65.89(19) 1_555 1_555 1_555 C11 H112 N11 37.92(24) 1_555 1_555 1_555 N12 H112 C11 173.7(17) 3_555 1_555 1_555 N12 H112 H111 117.9(22) 3_555 1_555 1_555 N12 H112 N11 142.7(21) 3_555 1_555 1_555 H51 H112 N12 107.8(17) 3_564 1_555 3_555 H51 H112 C11 76.45(75) 3_564 1_555 1_555 H51 H112 H111 92.2(16) 3_564 1_555 1_555 H51 H112 N11 100.0(14) 3_564 1_555 1_555 H122 H112 H51 93.1(13) 3_555 1_555 3_564 H122 H112 N12 26.93(45) 3_555 1_555 3_555 H122 H112 C11 159.2(19) 3_555 1_555 1_555 H122 H112 H111 97.1(22) 3_555 1_555 1_555 H122 H112 N11 130.3(22) 3_555 1_555 1_555 H61 H112 H122 141.3(22) 1_555 1_555 3_555 H61 H112 H51 79.5(10) 1_555 1_555 3_564 H61 H112 N12 120.4(22) 1_555 1_555 3_555 H61 H112 C11 55.21(29) 1_555 1_555 1_555 H61 H112 H111 120.90(27) 1_555 1_555 1_555 H61 H112 N11 88.34(50) 1_555 1_555 1_555 H122 H112 H61 64.7(14) 1_556 1_555 1_555 H122 H112 H122 121.3(19) 1_556 1_555 3_555 H122 H112 H51 142.6(16) 1_556 1_555 3_564 H122 H112 N12 99.5(18) 1_556 1_555 3_555 H122 H112 C11 74.7(11) 1_556 1_555 1_555 H122 H112 H111 97.2(14) 1_556 1_555 1_555 H122 H112 N11 70.0(14) 1_556 1_555 1_555 C61 H112 H122 68.4(12) 1_555 1_555 1_556 C61 H112 H61 24.27(13) 1_555 1_555 1_555 C61 H112 H122 161.6(20) 1_555 1_555 3_555 C61 H112 H51 74.62(54) 1_555 1_555 3_564 C61 H112 N12 144.7(22) 1_555 1_555 3_555 C61 H112 C11 31.07(25) 1_555 1_555 1_555 C61 H112 H111 96.96(26) 1_555 1_555 1_555 C61 H112 N11 66.44(40) 1_555 1_555 1_555 H121 H112 C61 129.2(17) 3_555 1_555 1_555 H121 H112 H122 103.3(18) 3_555 1_555 1_556 H121 H112 H61 105.4(16) 3_555 1_555 1_555 H121 H112 H122 37.03(86) 3_555 1_555 3_555 H121 H112 H51 95.8(18) 3_555 1_555 3_564 H121 H112 N12 18.24(70) 3_555 1_555 3_555 H121 H112 C11 159.9(17) 3_555 1_555 1_555 H121 H112 H111 133.7(16) 3_555 1_555 1_555 H121 H112 N11 160.7(16) 3_555 1_555 1_555 H52 H112 H121 56.8(11) 3_565 1_555 3_555 H52 H112 C61 80.53(95) 3_565 1_555 1_555 H52 H112 H122 57.0(12) 3_565 1_555 1_556 H52 H112 H61 57.6(10) 3_565 1_555 1_555 H52 H112 H122 92.0(16) 3_565 1_555 3_555 H52 H112 H51 112.5(26) 3_565 1_555 3_564 H52 H112 N12 65.8(14) 3_565 1_555 3_555 H52 H112 C11 108.52(89) 3_565 1_555 1_555 H52 H112 H111 153.2(12) 3_565 1_555 1_555 H52 H112 N11 125.0(11) 3_565 1_555 1_555 C12 H112 H52 63.49(89) 3_555 1_555 3_565 C12 H112 H121 42.68(64) 3_555 1_555 3_555 C12 H112 C61 139.1(14) 3_555 1_555 1_555 C12 H112 H122 75.7(14) 3_555 1_555 1_556 C12 H112 H61 120.1(16) 3_555 1_555 1_555 C12 H112 H122 45.61(63) 3_555 1_555 3_555 C12 H112 H51 135.5(14) 3_555 1_555 3_564 C12 H112 N12 27.90(44) 3_555 1_555 3_555 C12 H112 C11 148.0(13) 3_555 1_555 1_555 C12 H112 H111 106.4(17) 3_555 1_555 1_555 C12 H112 N11 118.6(16) 3_555 1_555 1_555 H62 H112 C12 42.28(52) 3_555 1_555 3_555 H62 H112 H52 102.8(11) 3_555 1_555 3_565 H62 H112 H121 77.09(82) 3_555 1_555 3_555 H62 H112 C61 144.6(12) 3_555 1_555 1_555 H62 H112 H122 83.8(14) 3_555 1_555 1_556 H62 H112 H61 148.3(12) 3_555 1_555 1_555 H62 H112 H122 53.39(94) 3_555 1_555 3_555 H62 H112 H51 132.2(18) 3_555 1_555 3_564 H62 H112 N12 58.85(94) 3_555 1_555 3_555 H62 H112 C11 121.9(14) 3_555 1_555 1_555 H62 H112 H111 64.2(15) 3_555 1_555 1_555 H62 H112 N11 84.1(15) 3_555 1_555 1_555 H62 H112 H62 135.7(13) 3_565 1_555 3_555 H62 H112 C12 94.9(14) 3_565 1_555 3_555 H62 H112 H52 47.29(95) 3_565 1_555 3_565 H62 H112 H121 59.5(11) 3_565 1_555 3_555 H62 H112 C61 71.71(78) 3_565 1_555 1_555 H62 H112 H122 97.4(17) 3_565 1_555 1_556 H62 H112 H61 51.39(72) 3_565 1_555 1_555 H62 H112 H122 90.9(18) 3_565 1_555 3_555 H62 H112 H51 65.3(18) 3_565 1_555 3_564 H62 H112 N12 77.5(17) 3_565 1_555 3_555 H62 H112 C11 100.64(79) 3_565 1_555 1_555 H62 H112 H111 156.55(84) 3_565 1_555 1_555 H62 H112 N11 138.05(88) 3_565 1_555 1_555 C62 H112 H62 120.0(14) 3_555 1_555 3_565 C62 H112 H62 19.71(24) 3_555 1_555 3_555 C62 H112 C12 25.25(36) 3_555 1_555 3_555 C62 H112 H52 83.12(92) 3_555 1_555 3_565 C62 H112 H121 65.98(73) 3_555 1_555 3_555 C62 H112 C61 140.0(11) 3_555 1_555 1_555 C62 H112 H122 72.1(13) 3_555 1_555 1_556 C62 H112 H61 132.5(13) 3_555 1_555 1_555 C62 H112 H122 54.20(77) 3_555 1_555 3_555 C62 H112 H51 145.3(11) 3_555 1_555 3_564 C62 H112 N12 48.68(75) 3_555 1_555 3_555 C62 H112 C11 129.7(13) 3_555 1_555 1_555 C62 H112 H111 82.0(16) 3_555 1_555 1_555 C62 H112 N11 94.8(15) 3_555 1_555 1_555 C11 H21 C21 34.08(25) 1_555 1_555 1_555 C31 H21 C11 69.24(27) 1_555 1_555 1_555 C31 H21 C21 35.15(40) 1_555 1_555 1_555 H111 H21 C31 123.31(42) 1_555 1_555 1_555 H111 H21 C11 54.21(30) 1_555 1_555 1_555 H111 H21 C21 88.23(41) 1_555 1_555 1_555 H31 H21 H111 149.72(49) 1_555 1_555 1_555 H31 H21 C31 26.50(18) 1_555 1_555 1_555 H31 H21 C11 95.74(39) 1_555 1_555 1_555 H31 H21 C21 61.65(54) 1_555 1_555 1_555 H31 H21 H31 84.4(14) 2_646 1_555 1_555 H31 H21 H111 125.1(14) 2_646 1_555 1_555 H31 H21 C31 110.8(14) 2_646 1_555 1_555 H31 H21 C11 174.75(91) 2_646 1_555 1_555 H31 H21 C21 145.7(15) 2_646 1_555 1_555 H51 H21 H31 102.12(96) 1_545 1_555 2_646 H51 H21 H31 107.5(10) 1_545 1_555 1_555 H51 H21 H111 75.3(14) 1_545 1_555 1_555 H51 H21 C31 103.11(69) 1_545 1_555 1_555 H51 H21 C11 82.85(96) 1_545 1_555 1_555 H51 H21 C21 93.40(53) 1_545 1_555 1_555 N11 H21 H51 72.0(13) 1_555 1_555 1_545 N11 H21 H31 147.9(14) 1_555 1_555 2_646 N11 H21 H31 127.59(42) 1_555 1_555 1_555 N11 H21 H111 23.08(14) 1_555 1_555 1_555 N11 H21 C31 101.14(33) 1_555 1_555 1_555 N11 H21 C11 32.05(18) 1_555 1_555 1_555 N11 H21 C21 66.04(32) 1_555 1_555 1_555 C51 H21 N11 83.4(12) 1_545 1_555 1_555 C51 H21 H51 21.96(21) 1_545 1_555 1_545 C51 H21 H31 82.72(78) 1_545 1_555 2_646 C51 H21 H31 115.94(99) 1_545 1_555 1_555 C51 H21 H111 78.3(13) 1_545 1_555 1_555 C51 H21 C31 120.21(67) 1_545 1_555 1_555 C51 H21 C11 101.9(10) 1_545 1_555 1_555 C51 H21 C21 115.34(68) 1_545 1_555 1_555 H41 H21 C51 136.6(12) 2_646 1_555 1_545 H41 H21 N11 135.23(67) 2_646 1_555 1_555 H41 H21 H51 152.6(15) 2_646 1_555 1_545 H41 H21 H31 54.09(91) 2_646 1_555 2_646 H41 H21 H31 61.23(71) 2_646 1_555 1_555 H41 H21 H111 127.81(84) 2_646 1_555 1_555 H41 H21 C31 77.41(62) 2_646 1_555 1_555 H41 H21 C11 121.51(50) 2_646 1_555 1_555 H41 H21 C21 101.02(61) 2_646 1_555 1_555 H31 H21 H41 47.47(63) 3_554 1_555 2_646 H31 H21 C51 119.31(69) 3_554 1_555 1_545 H31 H21 N11 100.94(58) 3_554 1_555 1_555 H31 H21 H51 138.7(10) 3_554 1_555 1_545 H31 H21 H31 62.06(89) 3_554 1_555 2_646 H31 H21 H31 108.30(82) 3_554 1_555 1_555 H31 H21 H111 83.91(71) 3_554 1_555 1_555 H31 H21 C31 118.07(90) 3_554 1_555 1_555 H31 H21 C11 113.04(55) 3_554 1_555 1_555 H31 H21 C21 121.54(77) 3_554 1_555 1_555 C31 H21 H31 20.58(12) 3_554 1_555 3_554 C31 H21 H41 68.04(64) 3_554 1_555 2_646 C31 H21 C51 106.25(71) 3_554 1_555 1_545 C31 H21 N11 83.80(78) 3_554 1_555 1_555 C31 H21 H51 121.9(11) 3_554 1_555 1_545 C31 H21 H31 72.63(85) 3_554 1_555 2_646 C31 H21 H31 128.51(80) 3_554 1_555 1_555 C31 H21 H111 64.48(81) 3_554 1_555 1_555 C31 H21 C31 133.54(81) 3_554 1_555 1_555 C31 H21 C11 103.38(79) 3_554 1_555 1_555 C31 H21 C21 123.73(81) 3_554 1_555 1_555 C31 H21 C31 80.52(67) 2_646 1_555 3_554 C31 H21 H31 65.01(64) 2_646 1_555 3_554 C31 H21 H41 41.39(69) 2_646 1_555 2_646 C31 H21 C51 95.60(74) 2_646 1_555 1_545 C31 H21 N11 163.35(99) 2_646 1_555 1_555 C31 H21 H51 112.0(10) 2_646 1_555 1_545 C31 H21 H31 17.76(41) 2_646 1_555 2_646 C31 H21 H31 67.7(10) 2_646 1_555 1_555 C31 H21 H111 140.5(10) 2_646 1_555 1_555 C31 H21 C31 93.7(10) 2_646 1_555 1_555 C31 H21 C11 160.09(93) 2_646 1_555 1_555 C31 H21 C21 128.2(11) 2_646 1_555 1_555 C41 H21 C31 79.64(67) 3_554 1_555 2_646 C41 H21 C31 26.13(18) 3_554 1_555 3_554 C41 H21 H31 41.28(25) 3_554 1_555 3_554 C41 H21 H41 84.82(74) 3_554 1_555 2_646 C41 H21 C51 80.32(59) 3_554 1_555 1_545 C41 H21 N11 83.8(12) 3_554 1_555 1_555 C41 H21 H51 97.69(96) 3_554 1_555 1_545 C41 H21 H31 65.43(74) 3_554 1_555 2_646 C41 H21 H31 144.3(12) 3_554 1_555 1_555 C41 H21 H111 60.8(12) 3_554 1_555 1_555 C41 H21 C31 159.15(84) 3_554 1_555 1_555 C41 H21 C11 112.5(12) 3_554 1_555 1_555 C41 H21 C21 142.7(11) 3_554 1_555 1_555 H41 H21 C41 98.31(62) 1_545 1_555 3_554 H41 H21 C31 62.46(88) 1_545 1_555 2_646 H41 H21 C31 120.34(71) 1_545 1_555 3_554 H41 H21 H31 118.04(71) 1_545 1_555 3_554 H41 H21 H41 102.0(13) 1_545 1_555 2_646 H41 H21 C51 41.62(35) 1_545 1_555 1_545 H41 H21 N11 122.5(11) 1_545 1_555 1_555 H41 H21 H51 50.65(50) 1_545 1_555 1_545 H41 H21 H31 57.7(11) 1_545 1_555 2_646 H41 H21 H31 79.65(83) 1_545 1_555 1_555 H41 H21 H111 119.8(11) 1_545 1_555 1_555 H41 H21 C31 95.98(63) 1_545 1_555 1_555 H41 H21 C11 127.49(80) 1_545 1_555 1_555 H41 H21 C21 115.93(57) 1_545 1_555 1_555 C41 H21 H41 19.57(18) 1_545 1_555 1_545 C41 H21 C41 82.27(46) 1_545 1_555 3_554 C41 H21 C31 70.16(70) 1_545 1_555 2_646 C41 H21 C31 106.93(58) 1_545 1_555 3_554 C41 H21 H31 111.10(57) 1_545 1_555 3_554 C41 H21 H41 111.5(12) 1_545 1_555 2_646 C41 H21 C51 26.20(19) 1_545 1_555 1_545 C41 H21 N11 109.6(11) 1_545 1_555 1_555 C41 H21 H51 42.70(32) 1_545 1_555 1_545 C41 H21 H31 59.50(83) 1_545 1_555 2_646 C41 H21 H31 99.22(97) 1_545 1_555 1_555 C41 H21 H111 101.9(12) 1_545 1_555 1_555 C41 H21 C31 114.28(74) 1_545 1_555 1_555 C41 H21 C11 125.53(94) 1_545 1_555 1_555 C41 H21 C21 127.17(57) 1_545 1_555 1_555 C21 H31 C31 35.23(22) 1_555 1_555 1_555 C41 H31 C21 68.56(23) 1_555 1_555 1_555 C41 H31 C31 33.33(29) 1_555 1_555 1_555 H41 H31 C41 129.2(11) 4_667 1_555 1_555 H41 H31 C21 139.8(13) 4_667 1_555 1_555 H41 H31 C31 147.37(74) 4_667 1_555 1_555 H21 H31 H41 121.0(14) 1_555 1_555 4_667 H21 H31 C41 95.06(15) 1_555 1_555 1_555 H21 H31 C21 26.50(18) 1_555 1_555 1_555 H21 H31 C31 61.73(32) 1_555 1_555 1_555 H21 H31 H21 140.31(90) 2_656 1_555 1_555 H21 H31 H41 81.7(16) 2_656 1_555 4_667 H21 H31 C41 92.55(66) 2_656 1_555 1_555 H21 H31 C21 137.64(80) 2_656 1_555 1_555 H21 H31 C31 117.63(75) 2_656 1_555 1_555 H41 H31 H21 73.20(67) 1_555 1_555 2_656 H41 H31 H21 120.16(17) 1_555 1_555 1_555 H41 H31 H41 109.2(12) 1_555 1_555 4_667 H41 H31 C41 25.10(12) 1_555 1_555 1_555 H41 H31 C21 93.66(27) 1_555 1_555 1_555 H41 H31 C31 58.42(38) 1_555 1_555 1_555 H41 H31 H41 128.06(49) 2_646 1_555 1_555 H41 H31 H21 73.60(96) 2_646 1_555 2_656 H41 H31 H21 69.52(94) 2_646 1_555 1_555 H41 H31 H41 104.17(97) 2_646 1_555 4_667 H41 H31 C41 122.59(58) 2_646 1_555 1_555 H41 H31 C21 85.09(99) 2_646 1_555 1_555 H41 H31 C31 106.45(88) 2_646 1_555 1_555 H31 H31 H41 138.6(15) 4_667 1_555 2_646 H31 H31 H41 52.70(78) 4_667 1_555 1_555 H31 H31 H21 67.9(13) 4_667 1_555 2_656 H31 H31 H21 151.29(80) 4_667 1_555 1_555 H31 H31 H41 56.52(88) 4_667 1_555 4_667 H31 H31 C41 74.46(76) 4_667 1_555 1_555 H31 H31 C21 134.39(75) 4_667 1_555 1_555 H31 H31 C31 104.29(84) 4_667 1_555 1_555 C41 H31 H31 125.4(16) 2_646 1_555 4_667 C41 H31 H41 21.89(21) 2_646 1_555 2_646 C41 H31 H41 141.39(82) 2_646 1_555 1_555 C41 H31 H21 72.3(10) 2_646 1_555 2_656 C41 H31 H21 78.7(12) 2_646 1_555 1_555 C41 H31 H41 82.41(81) 2_646 1_555 4_667 C41 H31 C41 143.52(55) 2_646 1_555 1_555 C41 H31 C21 100.2(12) 2_646 1_555 1_555 C41 H31 C31 127.1(10) 2_646 1_555 1_555 H21 H31 C41 143.45(79) 3_555 1_555 2_646 H21 H31 H31 50.05(95) 3_555 1_555 4_667 H21 H31 H41 161.71(76) 3_555 1_555 2_646 H21 H31 H41 70.20(55) 3_555 1_555 1_555 H21 H31 H21 117.94(89) 3_555 1_555 2_656 H21 H31 H21 101.52(48) 3_555 1_555 1_555 H21 H31 H41 65.97(79) 3_555 1_555 4_667 H21 H31 C41 73.01(56) 3_555 1_555 1_555 H21 H31 C21 93.19(48) 3_555 1_555 1_555 H21 H31 C31 81.47(53) 3_555 1_555 1_555 C41 H31 H21 67.13(73) 4_667 1_555 3_555 C41 H31 C41 88.34(90) 4_667 1_555 2_646 C41 H31 H31 42.55(59) 4_667 1_555 4_667 C41 H31 H41 108.4(10) 4_667 1_555 2_646 C41 H31 H41 94.31(93) 4_667 1_555 1_555 C41 H31 H21 67.7(13) 4_667 1_555 2_656 C41 H31 H21 138.5(10) 4_667 1_555 1_555 C41 H31 H41 17.56(42) 4_667 1_555 4_667 C41 H31 C41 117.01(89) 4_667 1_555 1_555 C41 H31 C21 154.62(86) 4_667 1_555 1_555 C41 H31 C31 144.56(78) 4_667 1_555 1_555 C31 H31 C41 84.01(86) 2_646 1_555 4_667 C31 H31 H21 119.91(84) 2_646 1_555 3_555 C31 H31 C41 26.43(20) 2_646 1_555 2_646 C31 H31 H31 126.5(14) 2_646 1_555 4_667 C31 H31 H41 42.25(34) 2_646 1_555 2_646 C31 H31 H41 167.5(11) 2_646 1_555 1_555 C31 H31 H21 94.8(13) 2_646 1_555 2_656 C31 H31 H21 67.0(14) 2_646 1_555 1_555 C31 H31 H41 71.53(68) 2_646 1_555 4_667 C31 H31 C41 159.0(12) 2_646 1_555 1_555 C31 H31 C21 93.1(15) 2_646 1_555 1_555 C31 H31 C31 127.6(15) 2_646 1_555 1_555 C51 H41 C41 33.59(12) 1_555 1_555 1_555 C31 H41 C51 67.18(24) 1_555 1_555 1_555 C31 H41 C41 33.59(12) 1_555 1_555 1_555 H31 H41 C31 92.0(13) 4_667 1_555 1_555 H31 H41 C51 143.0(12) 4_667 1_555 1_555 H31 H41 C41 120.0(13) 4_667 1_555 1_555 H51 H41 H31 148.16(76) 1_555 1_555 4_667 H51 H41 C31 92.27(26) 1_555 1_555 1_555 H51 H41 C51 25.08(13) 1_555 1_555 1_555 H51 H41 C41 58.67(17) 1_555 1_555 1_555 H31 H41 H51 117.35(34) 1_555 1_555 1_555 H31 H41 H31 70.8(12) 1_555 1_555 4_667 H31 H41 C31 25.08(13) 1_555 1_555 1_555 H31 H41 C51 92.27(26) 1_555 1_555 1_555 H31 H41 C41 58.67(17) 1_555 1_555 1_555 H31 H41 H31 76.24(29) 2_656 1_555 1_555 H31 H41 H51 96.38(74) 2_656 1_555 1_555 H31 H41 H31 115.3(12) 2_656 1_555 4_667 H31 H41 C31 77.61(40) 2_656 1_555 1_555 H31 H41 C51 90.65(80) 2_656 1_555 1_555 H31 H41 C41 82.99(68) 2_656 1_555 1_555 H21 H41 H31 49.25(57) 2_656 1_555 2_656 H21 H41 H31 52.7(10) 2_656 1_555 1_555 H21 H41 H51 144.22(74) 2_656 1_555 1_555 H21 H41 H31 66.55(77) 2_656 1_555 4_667 H21 H41 C31 72.9(11) 2_656 1_555 1_555 H21 H41 C51 128.6(10) 2_656 1_555 1_555 H21 H41 C41 101.4(11) 2_656 1_555 1_555 H21 H41 H21 96.82(87) 1_565 1_555 2_656 H21 H41 H31 48.7(11) 1_565 1_555 2_656 H21 H41 H31 115.03(46) 1_565 1_555 1_555 H21 H41 H51 53.3(10) 1_565 1_555 1_555 H21 H41 H31 154.97(78) 1_565 1_555 4_667 H21 H41 C31 101.01(55) 1_565 1_555 1_555 H21 H41 C51 62.0(10) 1_565 1_555 1_555 H21 H41 C41 80.36(80) 1_565 1_555 1_555 C61 H51 C51 35.23(22) 1_555 1_555 1_555 C41 H51 C61 68.56(23) 1_555 1_555 1_555 C41 H51 C51 33.33(29) 1_555 1_555 1_555 H112 H51 C41 146.56(78) 3_565 1_555 1_555 H112 H51 C61 130.2(24) 3_565 1_555 1_555 H112 H51 C51 153.9(21) 3_565 1_555 1_555 H61 H51 H112 106.9(22) 1_555 1_555 3_565 H61 H51 C41 95.06(15) 1_555 1_555 1_555 H61 H51 C61 26.50(18) 1_555 1_555 1_555 H61 H51 C51 61.73(32) 1_555 1_555 1_555 H41 H51 H61 120.16(17) 1_555 1_555 1_555 H41 H51 H112 126.9(14) 1_555 1_555 3_565 H41 H51 C41 25.10(12) 1_555 1_555 1_555 H41 H51 C61 93.66(27) 1_555 1_555 1_555 H41 H51 C51 58.42(38) 1_555 1_555 1_555 H21 H51 H41 76.0(12) 1_565 1_555 1_555 H21 H51 H61 107.3(10) 1_565 1_555 1_555 H21 H51 H112 113.4(16) 1_565 1_555 3_565 H21 H51 C41 82.37(97) 1_565 1_555 1_555 H21 H51 C61 102.57(63) 1_565 1_555 1_555 H21 H51 C51 92.64(54) 1_565 1_555 1_555 N11 H51 H21 103.1(16) 3_565 1_555 1_565 N11 H51 H41 105.8(14) 3_565 1_555 1_555 N11 H51 H61 129.4(18) 3_565 1_555 1_555 N11 H51 H112 22.57(47) 3_565 1_555 3_565 N11 H51 C41 128.7(11) 3_565 1_555 1_555 N11 H51 C61 150.8(19) 3_565 1_555 1_555 N11 H51 C51 154.57(70) 3_565 1_555 1_555 C11 H51 N11 30.45(44) 3_565 1_555 3_565 C11 H51 H21 109.9(18) 3_565 1_555 1_565 C11 H51 H41 78.77(89) 3_565 1_555 1_555 C11 H51 H61 141.6(13) 3_565 1_555 1_555 C11 H51 H112 48.37(69) 3_565 1_555 3_565 C11 H51 C41 99.21(73) 3_565 1_555 1_555 C11 H51 C61 143.5(10) 3_565 1_555 1_555 C11 H51 C51 125.01(67) 3_565 1_555 1_555 H111 H51 C11 43.41(78) 3_565 1_555 3_565 H111 H51 N11 21.03(46) 3_565 1_555 3_565 H111 H51 H21 82.2(12) 3_565 1_555 1_565 H111 H51 H41 103.8(17) 3_565 1_555 1_555 H111 H51 H61 136.1(17) 3_565 1_555 1_555 H111 H51 H112 35.86(88) 3_565 1_555 3_565 H111 H51 C41 128.9(17) 3_565 1_555 1_555 H111 H51 C61 162.6(17) 3_565 1_555 1_555 H111 H51 C51 162.2(18) 3_565 1_555 1_555 C21 H51 H111 61.21(95) 1_565 1_555 3_565 C21 H51 C11 94.9(15) 1_565 1_555 3_565 C21 H51 N11 82.2(13) 1_565 1_555 3_565 C21 H51 H21 21.85(21) 1_565 1_555 1_565 C21 H51 H41 87.9(12) 1_565 1_555 1_555 C21 H51 H61 117.32(96) 1_565 1_555 1_555 C21 H51 H112 91.6(15) 1_565 1_555 3_565 C21 H51 C41 100.5(10) 1_565 1_555 1_555 C21 H51 C61 120.70(64) 1_565 1_555 1_555 C21 H51 C51 114.47(69) 1_565 1_555 1_555 C61 H51 C21 121.9(15) 3_565 1_555 1_565 C61 H51 H111 68.28(84) 3_565 1_555 3_565 C61 H51 C11 27.31(26) 3_565 1_555 3_565 C61 H51 N11 50.19(45) 3_565 1_555 3_565 C61 H51 H21 133.9(19) 3_565 1_555 1_565 C61 H51 H41 77.65(48) 3_565 1_555 1_555 C61 H51 H61 118.6(10) 3_565 1_555 1_555 C61 H51 H112 58.16(49) 3_565 1_555 3_565 C61 H51 C41 89.34(45) 3_565 1_555 1_555 C61 H51 C61 116.2(10) 3_565 1_555 1_555 C61 H51 C51 104.71(75) 3_565 1_555 1_555 H61 H51 C61 20.74(14) 3_565 1_555 3_565 H61 H51 C21 135.9(14) 3_565 1_555 1_565 H61 H51 H111 75.68(77) 3_565 1_555 3_565 H61 H51 C11 43.14(31) 3_565 1_555 3_565 H61 H51 N11 54.86(44) 3_565 1_555 3_565 H61 H51 H21 153.0(18) 3_565 1_555 1_565 H61 H51 H41 94.17(42) 3_565 1_555 1_555 H61 H51 H61 99.5(11) 3_565 1_555 1_555 H61 H51 H112 52.94(53) 3_565 1_555 3_565 H61 H51 C41 99.46(70) 3_565 1_555 1_555 H61 H51 C61 103.1(13) 3_565 1_555 1_555 H61 H51 C51 103.6(11) 3_565 1_555 1_555 H62 H51 H61 49.17(80) 1_556 1_555 3_565 H62 H51 C61 69.35(81) 1_556 1_555 3_565 H62 H51 C21 151.33(93) 1_556 1_555 1_565 H62 H51 H111 107.3(11) 1_556 1_555 3_565 H62 H51 C11 91.05(94) 1_556 1_555 3_565 H62 H51 N11 89.0(12) 1_556 1_555 3_565 H62 H51 H21 156.1(14) 1_556 1_555 1_565 H62 H51 H41 120.81(75) 1_556 1_555 1_555 H62 H51 H61 50.64(75) 1_556 1_555 1_555 H62 H51 H112 71.7(17) 1_556 1_555 3_565 H62 H51 C41 106.20(89) 1_556 1_555 1_555 H62 H51 C61 62.12(95) 1_556 1_555 1_555 H62 H51 C51 84.1(10) 1_556 1_555 1_555 H111 H51 H62 107.9(12) 1_565 1_555 1_556 H111 H51 H61 147.0(11) 1_565 1_555 3_565 H111 H51 C61 159.00(60) 1_565 1_555 3_565 H111 H51 C21 51.27(50) 1_565 1_555 1_565 H111 H51 H111 93.84(55) 1_565 1_555 3_565 H111 H51 C11 137.19(72) 1_565 1_555 3_565 H111 H51 N11 109.87(47) 1_565 1_555 3_565 H111 H51 H21 48.72(60) 1_565 1_555 1_565 H111 H51 H41 118.8(11) 1_565 1_555 1_555 H111 H51 H61 66.40(78) 1_565 1_555 1_555 H111 H51 H112 100.91(62) 1_565 1_555 3_565 H111 H51 C41 111.02(82) 1_565 1_555 1_555 H111 H51 C61 77.67(49) 1_565 1_555 1_555 H111 H51 C51 95.53(50) 1_565 1_555 1_555 N11 H51 H111 19.31(25) 1_565 1_555 1_565 N11 H51 H62 106.0(10) 1_565 1_555 1_556 N11 H51 H61 132.00(66) 1_565 1_555 3_565 N11 H51 C61 139.80(62) 1_565 1_555 3_565 N11 H51 C21 47.23(41) 1_565 1_555 1_565 N11 H51 H111 75.97(43) 1_565 1_555 3_565 N11 H51 C11 119.22(66) 1_565 1_555 3_565 N11 H51 N11 90.74(39) 1_565 1_555 3_565 N11 H51 H21 54.10(57) 1_565 1_555 1_565 N11 H51 H41 129.9(10) 1_565 1_555 1_555 N11 H51 H61 76.13(81) 1_565 1_555 1_555 N11 H51 H112 82.11(46) 1_565 1_555 3_565 N11 H51 C41 128.44(79) 1_565 1_555 1_555 N11 H51 C61 93.13(66) 1_565 1_555 1_555 N11 H51 C51 114.68(57) 1_565 1_555 1_555 C11 H51 N11 25.86(22) 1_565 1_555 1_565 C11 H51 H111 38.67(37) 1_565 1_555 1_565 C11 H51 H62 125.74(91) 1_565 1_555 1_556 C11 H51 H61 128.76(89) 1_565 1_555 3_565 C11 H51 C61 125.1(11) 1_565 1_555 3_565 C11 H51 C21 25.59(26) 1_565 1_555 1_565 C11 H51 H111 56.79(47) 1_565 1_555 3_565 C11 H51 C11 99.2(10) 1_565 1_555 3_565 C11 H51 N11 75.83(78) 1_565 1_555 3_565 C11 H51 H21 41.69(37) 1_565 1_555 1_565 C11 H51 H41 113.4(11) 1_565 1_555 1_555 C11 H51 H61 101.92(98) 1_565 1_555 1_555 C11 H51 H112 76.3(10) 1_565 1_555 3_565 C11 H51 C41 124.04(97) 1_565 1_555 1_555 C11 H51 C61 116.34(76) 1_565 1_555 1_555 C11 H51 C51 127.50(57) 1_565 1_555 1_555 C11 H61 C61 34.08(25) 1_555 1_555 1_555 C51 H61 C11 69.24(27) 1_555 1_555 1_555 C51 H61 C61 35.15(40) 1_555 1_555 1_555 H62 H61 C51 86.42(86) 1_556 1_555 1_555 H62 H61 C11 107.6(11) 1_556 1_555 1_555 H62 H61 C61 98.57(85) 1_556 1_555 1_555 H51 H61 H62 77.8(11) 1_555 1_555 1_556 H51 H61 C51 26.50(18) 1_555 1_555 1_555 H51 H61 C11 95.74(39) 1_555 1_555 1_555 H51 H61 C61 61.65(54) 1_555 1_555 1_555 H112 H61 H51 147.81(50) 1_555 1_555 1_555 H112 H61 H62 116.0(14) 1_555 1_555 1_556 H112 H61 C51 121.73(42) 1_555 1_555 1_555 H112 H61 C11 53.08(30) 1_555 1_555 1_555 H112 H61 C61 86.87(41) 1_555 1_555 1_555 H62 H61 H112 79.0(15) 3_565 1_555 1_555 H62 H61 H51 120.3(15) 3_565 1_555 1_555 H62 H61 H62 121.2(13) 3_565 1_555 1_556 H62 H61 C51 136.0(13) 3_565 1_555 1_555 H62 H61 C11 123.1(13) 3_565 1_555 1_555 H62 H61 C61 140.13(72) 3_565 1_555 1_555 H52 H61 H62 56.88(73) 3_565 1_555 3_565 H52 H61 H112 68.6(14) 3_565 1_555 1_555 H52 H61 H51 142.9(14) 3_565 1_555 1_555 H52 H61 H62 75.67(75) 3_565 1_555 1_556 H52 H61 C51 162.07(82) 3_565 1_555 1_555 H52 H61 C11 116.8(16) 3_565 1_555 1_555 H52 H61 C61 147.9(16) 3_565 1_555 1_555 H122 H61 H52 58.64(91) 1_556 1_555 3_565 H122 H61 H62 111.3(14) 1_556 1_555 3_565 H122 H61 H112 57.7(10) 1_556 1_555 1_555 H122 H61 H51 124.62(96) 1_556 1_555 1_555 H122 H61 H62 58.50(91) 1_556 1_555 1_556 H122 H61 C51 112.4(11) 1_556 1_555 1_555 H122 H61 C11 70.2(12) 1_556 1_555 1_555 H122 H61 C61 91.1(12) 1_556 1_555 1_555 N11 H61 H122 52.2(11) 1_555 1_555 1_556 N11 H61 H52 85.4(15) 1_555 1_555 3_565 N11 H61 H62 101.5(15) 1_555 1_555 3_565 N11 H61 H112 23.09(14) 1_555 1_555 1_555 N11 H61 H51 127.59(42) 1_555 1_555 1_555 N11 H61 H62 107.6(13) 1_555 1_555 1_556 N11 H61 C51 101.14(33) 1_555 1_555 1_555 N11 H61 C11 32.05(18) 1_555 1_555 1_555 N11 H61 C61 66.04(32) 1_555 1_555 1_555 C62 H61 N11 111.2(13) 3_565 1_555 1_555 C62 H61 H122 102.6(11) 3_565 1_555 1_556 C62 H61 H52 44.09(51) 3_565 1_555 3_565 C62 H61 H62 20.14(32) 3_565 1_555 3_565 C62 H61 H112 88.2(13) 3_565 1_555 1_555 C62 H61 H51 118.8(14) 3_565 1_555 1_555 C62 H61 H62 101.0(11) 3_565 1_555 1_556 C62 H61 C51 142.3(14) 3_565 1_555 1_555 C62 H61 C11 139.0(12) 3_565 1_555 1_555 C62 H61 C61 159.95(58) 3_565 1_555 1_555 H51 H61 C62 84.92(67) 3_564 1_555 3_565 H51 H61 N11 55.4(12) 3_564 1_555 1_555 H51 H61 H122 104.6(16) 3_564 1_555 1_556 H51 H61 H52 98.71(73) 3_564 1_555 3_565 H51 H61 H62 65.44(69) 3_564 1_555 3_565 H51 H61 H112 47.56(96) 3_564 1_555 1_555 H51 H61 H51 113.59(58) 3_564 1_555 1_555 H51 H61 H62 162.8(22) 3_564 1_555 1_556 H51 H61 C51 98.72(61) 3_564 1_555 1_555 H51 H61 C11 60.0(12) 3_564 1_555 1_555 H51 H61 C61 77.45(90) 3_564 1_555 1_555 C52 H61 H51 100.65(54) 3_565 1_555 3_564 C52 H61 C62 26.71(28) 3_565 1_555 3_565 C52 H61 N11 103.0(14) 3_565 1_555 1_555 C52 H61 H122 77.81(93) 3_565 1_555 1_556 C52 H61 H52 20.12(28) 3_565 1_555 3_565 C52 H61 H62 43.99(55) 3_565 1_555 3_565 C52 H61 H112 83.3(13) 3_565 1_555 1_555 C52 H61 H51 128.7(14) 3_565 1_555 1_555 C52 H61 H62 79.73(80) 3_565 1_555 1_556 C52 H61 C51 154.9(13) 3_565 1_555 1_555 C52 H61 C11 135.0(15) 3_565 1_555 1_555 C52 H61 C61 168.0(15) 3_565 1_555 1_555 H111 H61 C52 94.37(61) 1_565 1_555 3_565 H111 H61 H51 68.1(11) 1_565 1_555 3_564 H111 H61 C62 68.43(62) 1_565 1_555 3_565 H111 H61 N11 122.83(65) 1_565 1_555 1_555 H111 H61 H122 168.4(12) 1_565 1_555 1_556 H111 H61 H52 112.44(77) 1_565 1_555 3_565 H111 H61 H62 57.82(75) 1_565 1_555 3_565 H111 H61 H112 113.30(76) 1_565 1_555 1_555 H111 H61 H51 66.99(97) 1_565 1_555 1_555 H111 H61 H62 129.1(13) 1_565 1_555 1_556 H111 H61 C51 78.2(11) 1_565 1_555 1_555 H111 H61 C11 111.32(92) 1_565 1_555 1_555 H111 H61 C61 95.8(12) 1_565 1_555 1_555 H122 N12 H121 109.81(90) 1_555 1_555 1_555 C12 N12 H122 115.14(37) 1_555 1_555 1_555 C12 N12 H121 115.14(37) 1_555 1_555 1_555 H112 N12 C12 107.0(12) 3_554 1_555 1_555 H112 N12 H122 84.6(16) 3_554 1_555 1_555 H112 N12 H121 121.7(18) 3_554 1_555 1_555 C62 N12 H112 89.8(15) 1_555 1_555 3_554 C62 N12 C12 29.25(22) 1_555 1_555 1_555 C62 N12 H122 90.60(44) 1_555 1_555 1_555 C62 N12 H121 142.90(44) 1_555 1_555 1_555 C22 N12 C62 58.39(44) 1_555 1_555 1_555 C22 N12 H112 117.7(11) 1_555 1_555 3_554 C22 N12 C12 29.25(22) 1_555 1_555 1_555 C22 N12 H122 139.37(46) 1_555 1_555 1_555 C22 N12 H121 87.75(43) 1_555 1_555 1_555 H62 N12 C22 82.61(43) 1_555 1_555 1_555 H62 N12 C62 24.23(13) 1_555 1_555 1_555 H62 N12 H112 77.5(18) 1_555 1_555 3_554 H62 N12 C12 53.41(23) 1_555 1_555 1_555 H62 N12 H122 68.92(49) 1_555 1_555 1_555 H62 N12 H121 160.72(59) 1_555 1_555 1_555 H22 N12 H62 106.81(46) 1_555 1_555 1_555 H22 N12 C22 24.23(13) 1_555 1_555 1_555 H22 N12 C62 82.61(43) 1_555 1_555 1_555 H22 N12 H112 123.6(14) 1_555 1_555 3_554 H22 N12 C12 53.41(23) 1_555 1_555 1_555 H22 N12 H122 150.74(63) 1_555 1_555 1_555 H22 N12 H121 64.30(46) 1_555 1_555 1_555 H52 N12 H22 57.9(11) 1_545 1_555 1_555 H52 N12 H62 115.73(46) 1_545 1_555 1_555 H52 N12 C22 67.6(10) 1_545 1_555 1_555 H52 N12 C62 101.89(46) 1_545 1_555 1_555 H52 N12 H112 69.6(14) 1_545 1_555 3_554 H52 N12 C12 85.79(78) 1_545 1_555 1_555 H52 N12 H122 151.0(13) 1_545 1_555 1_555 H52 N12 H121 75.22(95) 1_545 1_555 1_555 H52 N12 H52 154.4(16) 3_564 1_555 1_545 H52 N12 H22 96.79(64) 3_564 1_555 1_555 H52 N12 H62 65.08(75) 3_564 1_555 1_555 H52 N12 C22 87.70(47) 3_564 1_555 1_555 H52 N12 C62 68.41(58) 3_564 1_555 1_555 H52 N12 H112 131.6(24) 3_564 1_555 3_554 H52 N12 C12 74.69(45) 3_564 1_555 1_555 H52 N12 H122 54.55(85) 3_564 1_555 1_555 H52 N12 H121 98.0(11) 3_564 1_555 1_555 N11 N12 H52 122.9(18) 3_554 1_555 3_564 N11 N12 H52 75.30(93) 3_554 1_555 1_545 N11 N12 H22 123.77(84) 3_554 1_555 1_555 N11 N12 H62 65.6(11) 3_554 1_555 1_555 N11 N12 C22 112.54(71) 3_554 1_555 1_555 N11 N12 C62 78.17(96) 3_554 1_555 1_555 N11 N12 H112 12.01(72) 3_554 1_555 3_554 N11 N12 C12 97.39(79) 3_554 1_555 1_555 N11 N12 H122 82.0(12) 3_554 1_555 1_555 N11 N12 H121 133.7(13) 3_554 1_555 1_555 C22 C12 C62 118.29(57) 1_555 1_555 1_555 N12 C12 C22 120.69(29) 1_555 1_555 1_555 N12 C12 C62 120.69(29) 1_555 1_555 1_555 H121 C12 N12 26.93(17) 1_555 1_555 1_555 H121 C12 C22 95.39(34) 1_555 1_555 1_555 H121 C12 C62 146.19(36) 1_555 1_555 1_555 H122 C12 H121 48.34(38) 1_555 1_555 1_555 H122 C12 N12 26.93(17) 1_555 1_555 1_555 H122 C12 C22 142.83(40) 1_555 1_555 1_555 H122 C12 C62 97.92(35) 1_555 1_555 1_555 H62 C12 H122 71.93(38) 1_555 1_555 1_555 H62 C12 H121 119.98(38) 1_555 1_555 1_555 H62 C12 N12 94.54(31) 1_555 1_555 1_555 H62 C12 C22 144.58(57) 1_555 1_555 1_555 H62 C12 C62 26.29(20) 1_555 1_555 1_555 H22 C12 H62 170.87(63) 1_555 1_555 1_555 H22 C12 H122 117.08(40) 1_555 1_555 1_555 H22 C12 H121 69.13(37) 1_555 1_555 1_555 H22 C12 N12 94.54(31) 1_555 1_555 1_555 H22 C12 C22 26.29(20) 1_555 1_555 1_555 H22 C12 C62 144.58(57) 1_555 1_555 1_555 C52 C12 H22 115.25(37) 1_555 1_555 1_555 C52 C12 H62 55.62(27) 1_555 1_555 1_555 C52 C12 H122 126.85(22) 1_555 1_555 1_555 C52 C12 H121 174.65(38) 1_555 1_555 1_555 C52 C12 N12 149.69(11) 1_555 1_555 1_555 C52 C12 C22 88.96(35) 1_555 1_555 1_555 C52 C12 C62 29.33(24) 1_555 1_555 1_555 C32 C12 C52 59.63(19) 1_555 1_555 1_555 C32 C12 H22 55.62(27) 1_555 1_555 1_555 C32 C12 H62 115.25(37) 1_555 1_555 1_555 C32 C12 H122 168.94(46) 1_555 1_555 1_555 C32 C12 H121 124.67(21) 1_555 1_555 1_555 C32 C12 N12 149.69(11) 1_555 1_555 1_555 C32 C12 C22 29.33(24) 1_555 1_555 1_555 C32 C12 C62 88.96(35) 1_555 1_555 1_555 C42 C12 C32 29.813(96) 1_555 1_555 1_555 C42 C12 C52 29.813(96) 1_555 1_555 1_555 C42 C12 H22 85.43(31) 1_555 1_555 1_555 C42 C12 H62 85.43(31) 1_555 1_555 1_555 C42 C12 H122 155.66(20) 1_555 1_555 1_555 C42 C12 H121 154.36(18) 1_555 1_555 1_555 C42 C12 N12 174.25(32) 1_555 1_555 1_555 C42 C12 C22 59.14(29) 1_555 1_555 1_555 C42 C12 C62 59.14(29) 1_555 1_555 1_555 H112 C12 C42 129.85(97) 3_554 1_555 1_555 H112 C12 C32 137.10(85) 3_554 1_555 1_555 H112 C12 C52 112.3(13) 3_554 1_555 1_555 H112 C12 H22 113.9(15) 3_554 1_555 1_555 H112 C12 H62 72.4(15) 3_554 1_555 1_555 H112 C12 H122 51.82(85) 3_554 1_555 1_555 H112 C12 H121 67.2(12) 3_554 1_555 1_555 H112 C12 N12 45.11(99) 3_554 1_555 1_555 H112 C12 C22 129.3(13) 3_554 1_555 1_555 H112 C12 C62 91.4(14) 3_554 1_555 1_555 H52 C12 H112 107.19(96) 3_564 1_555 3_554 H52 C12 C42 107.29(59) 3_564 1_555 1_555 H52 C12 C32 115.30(46) 3_564 1_555 1_555 H52 C12 C52 95.07(79) 3_564 1_555 1_555 H52 C12 H22 111.31(83) 3_564 1_555 1_555 H52 C12 H62 71.57(87) 3_564 1_555 1_555 H52 C12 H122 57.63(64) 3_564 1_555 1_555 H52 C12 H121 80.20(91) 3_564 1_555 1_555 H52 C12 N12 78.09(65) 3_564 1_555 1_555 H52 C12 C22 116.43(64) 3_564 1_555 1_555 H52 C12 C62 81.94(89) 3_564 1_555 1_555 H52 C12 H52 140.92(59) 1_545 1_555 3_564 H52 C12 H112 57.7(11) 1_545 1_555 3_554 H52 C12 C42 108.96(73) 1_545 1_555 1_555 H52 C12 C32 90.40(95) 1_545 1_555 1_555 H52 C12 C52 123.83(44) 1_545 1_555 1_555 H52 C12 H22 58.3(10) 1_545 1_555 1_555 H52 C12 H62 125.23(95) 1_545 1_555 1_555 H52 C12 H122 91.79(93) 1_545 1_555 1_555 H52 C12 H121 60.77(67) 1_545 1_555 1_555 H52 C12 N12 66.42(81) 1_545 1_555 1_555 H52 C12 C22 72.1(11) 1_545 1_555 1_555 H52 C12 C62 129.88(61) 1_545 1_555 1_555 H121 C12 H52 66.75(97) 3_555 1_555 1_545 H121 C12 H52 149.8(16) 3_555 1_555 3_564 H121 C12 H112 75.66(96) 3_555 1_555 3_554 H121 C12 C42 56.50(92) 3_555 1_555 1_555 H121 C12 C32 64.87(69) 3_555 1_555 1_555 H121 C12 C52 57.78(93) 3_555 1_555 1_555 H121 C12 H22 93.72(48) 3_555 1_555 1_555 H121 C12 H62 81.22(54) 3_555 1_555 1_555 H121 C12 H122 125.80(89) 3_555 1_555 1_555 H121 C12 H121 126.1(10) 3_555 1_555 1_555 H121 C12 N12 117.80(97) 3_555 1_555 1_555 H121 C12 C22 79.08(49) 3_555 1_555 1_555 H121 C12 C62 67.87(73) 3_555 1_555 1_555 C12 C22 H22 119.63(36) 1_555 1_555 1_555 C32 C22 C12 122.00(58) 1_555 1_555 1_555 C32 C22 H22 118.38(68) 1_555 1_555 1_555 H32 C22 C32 26.53(16) 1_555 1_555 1_555 H32 C22 C12 148.53(61) 1_555 1_555 1_555 H32 C22 H22 91.85(71) 1_555 1_555 1_555 C62 C22 H32 117.67(40) 1_555 1_555 1_555 C62 C22 C32 91.14(37) 1_555 1_555 1_555 C62 C22 C12 30.86(29) 1_555 1_555 1_555 C62 C22 H22 150.48(46) 1_555 1_555 1_555 N12 C22 C62 60.81(22) 1_555 1_555 1_555 N12 C22 H32 176.30(30) 1_555 1_555 1_555 N12 C22 C32 151.71(56) 1_555 1_555 1_555 N12 C22 C12 30.06(16) 1_555 1_555 1_555 N12 C22 H22 89.73(39) 1_555 1_555 1_555 C42 C22 N12 121.77(44) 1_555 1_555 1_555 C42 C22 C62 61.08(24) 1_555 1_555 1_555 C42 C22 H32 56.59(25) 1_555 1_555 1_555 C42 C22 C32 30.07(17) 1_555 1_555 1_555 C42 C22 C12 91.93(45) 1_555 1_555 1_555 C42 C22 H22 148.44(57) 1_555 1_555 1_555 H121 C22 C42 144.60(48) 1_555 1_555 1_555 H121 C22 N12 23.58(12) 1_555 1_555 1_555 H121 C22 C62 83.61(26) 1_555 1_555 1_555 H121 C22 H32 158.59(62) 1_555 1_555 1_555 H121 C22 C32 174.18(59) 1_555 1_555 1_555 H121 C22 C12 52.79(24) 1_555 1_555 1_555 H121 C22 H22 66.90(43) 1_555 1_555 1_555 C52 C22 H121 114.02(39) 1_555 1_555 1_555 C52 C22 C42 30.64(12) 1_555 1_555 1_555 C52 C22 N12 91.19(34) 1_555 1_555 1_555 C52 C22 C62 30.44(15) 1_555 1_555 1_555 C52 C22 H32 87.23(33) 1_555 1_555 1_555 C52 C22 C32 60.70(27) 1_555 1_555 1_555 C52 C22 C12 61.29(37) 1_555 1_555 1_555 C52 C22 H22 179.08(51) 1_555 1_555 1_555 H52 C22 C52 116.00(77) 1_545 1_555 1_555 H52 C22 H121 58.48(77) 1_545 1_555 1_555 H52 C22 C42 126.08(48) 1_545 1_555 1_555 H52 C22 N12 61.95(89) 1_545 1_555 1_555 H52 C22 C62 99.64(94) 1_545 1_555 1_555 H52 C22 H32 115.86(86) 1_545 1_555 1_555 H52 C22 C32 125.23(60) 1_545 1_555 1_555 H52 C22 C12 81.15(98) 1_545 1_555 1_555 H52 C22 H22 64.43(76) 1_545 1_555 1_555 H121 C22 H52 67.44(81) 3_555 1_555 1_545 H121 C22 C52 54.41(79) 3_555 1_555 1_555 H121 C22 H121 106.99(85) 3_555 1_555 1_555 H121 C22 C42 59.21(95) 3_555 1_555 1_555 H121 C22 N12 89.22(71) 3_555 1_555 1_555 H121 C22 C62 60.61(47) 3_555 1_555 1_555 H121 C22 H32 87.14(68) 3_555 1_555 1_555 H121 C22 C32 72.32(86) 3_555 1_555 1_555 H121 C22 C12 74.90(48) 3_555 1_555 1_555 H121 C22 H22 125.56(78) 3_555 1_555 1_555 C22 C32 H32 118.24(36) 1_555 1_555 1_555 C42 C32 C22 120.08(33) 1_555 1_555 1_555 C42 C32 H32 121.68(48) 1_555 1_555 1_555 H22 C32 C42 146.55(24) 1_555 1_555 1_555 H22 C32 C22 26.47(30) 1_555 1_555 1_555 H22 C32 H32 91.77(46) 1_555 1_555 1_555 H42 C32 H22 171.74(26) 1_555 1_555 1_555 H42 C32 C42 25.185(95) 1_555 1_555 1_555 H42 C32 C22 145.27(34) 1_555 1_555 1_555 H42 C32 H32 96.49(49) 1_555 1_555 1_555 C52 C32 H42 56.41(12) 1_555 1_555 1_555 C52 C32 H22 115.33(25) 1_555 1_555 1_555 C52 C32 C42 31.22(17) 1_555 1_555 1_555 C52 C32 C22 88.86(37) 1_555 1_555 1_555 C52 C32 H32 152.90(51) 1_555 1_555 1_555 C12 C32 C52 60.187(96) 1_555 1_555 1_555 C12 C32 H42 116.60(17) 1_555 1_555 1_555 C12 C32 H22 55.14(24) 1_555 1_555 1_555 C12 C32 C42 91.41(19) 1_555 1_555 1_555 C12 C32 C22 28.67(38) 1_555 1_555 1_555 C12 C32 H32 146.91(52) 1_555 1_555 1_555 C62 C32 C12 29.75(14) 1_555 1_555 1_555 C62 C32 C52 30.44(15) 1_555 1_555 1_555 C62 C32 H42 86.85(24) 1_555 1_555 1_555 C62 C32 H22 84.89(35) 1_555 1_555 1_555 C62 C32 C42 61.66(28) 1_555 1_555 1_555 C62 C32 C22 58.42(49) 1_555 1_555 1_555 C62 C32 H32 176.66(60) 1_555 1_555 1_555 H22 C32 C62 138.71(44) 2_755 1_555 1_555 H22 C32 C12 147.75(61) 2_755 1_555 1_555 H22 C32 C52 116.77(42) 2_755 1_555 1_555 H22 C32 H42 69.65(54) 2_755 1_555 1_555 H22 C32 H22 117.07(60) 2_755 1_555 1_555 H22 C32 C42 90.78(50) 2_755 1_555 1_555 H22 C32 C22 136.51(68) 2_755 1_555 1_555 H22 C32 H32 43.33(56) 2_755 1_555 1_555 H121 C32 H22 141.98(72) 3_555 1_555 2_755 H121 C32 C62 58.57(34) 3_555 1_555 1_555 H121 C32 C12 67.32(55) 3_555 1_555 1_555 H121 C32 C52 58.80(62) 3_555 1_555 1_555 H121 C32 H42 80.58(92) 3_555 1_555 1_555 H121 C32 H22 95.06(91) 3_555 1_555 1_555 H121 C32 C42 68.50(88) 3_555 1_555 1_555 H121 C32 C22 80.92(81) 3_555 1_555 1_555 H121 C32 H32 121.90(35) 3_555 1_555 1_555 H32 C32 H121 81.0(10) 4_766 1_555 3_555 H32 C32 H22 62.12(82) 4_766 1_555 2_755 H32 C32 C62 127.04(68) 4_766 1_555 1_555 H32 C32 C12 148.12(74) 4_766 1_555 1_555 H32 C32 C52 100.74(66) 4_766 1_555 1_555 H32 C32 H42 51.45(73) 4_766 1_555 1_555 H32 C32 H22 135.10(78) 4_766 1_555 1_555 H32 C32 C42 72.98(70) 4_766 1_555 1_555 H32 C32 C22 151.10(84) 4_766 1_555 1_555 H32 C32 H32 55.73(82) 4_766 1_555 1_555 H22 C32 H32 42.12(91) 3_555 1_555 4_766 H22 C32 H121 45.85(36) 3_555 1_555 3_555 H22 C32 H22 102.30(60) 3_555 1_555 2_755 H22 C32 C62 103.98(48) 3_555 1_555 1_555 H22 C32 C12 109.91(46) 3_555 1_555 1_555 H22 C32 C52 94.28(51) 3_555 1_555 1_555 H22 C32 H42 75.51(50) 3_555 1_555 1_555 H22 C32 H22 106.52(49) 3_555 1_555 1_555 H22 C32 C42 83.25(52) 3_555 1_555 1_555 H22 C32 C22 110.56(46) 3_555 1_555 1_555 H22 C32 H32 76.95(51) 3_555 1_555 1_555 H32 C32 H22 130.64(59) 2_755 1_555 3_555 H32 C32 H32 91.26(99) 2_755 1_555 4_766 H32 C32 H121 132.11(98) 2_755 1_555 3_555 H32 C32 H22 46.61(53) 2_755 1_555 2_755 H32 C32 C62 92.30(61) 2_755 1_555 1_555 H32 C32 C12 106.98(58) 2_755 1_555 1_555 H32 C32 C52 76.82(55) 2_755 1_555 1_555 H32 C32 H42 58.98(45) 2_755 1_555 1_555 H32 C32 H22 121.32(46) 2_755 1_555 1_555 H32 C32 C42 64.07(47) 2_755 1_555 1_555 H32 C32 C22 117.55(51) 2_755 1_555 1_555 H32 C32 H32 89.44(59) 2_755 1_555 1_555 C32 C42 H42 121.22(17) 1_555 1_555 1_555 C52 C42 C32 117.55(33) 1_555 1_555 1_555 C52 C42 H42 121.22(17) 1_555 1_555 1_555 H32 C42 C52 142.55(39) 1_555 1_555 1_555 H32 C42 C32 25.00(21) 1_555 1_555 1_555 H32 C42 H42 96.23(27) 1_555 1_555 1_555 H52 C42 H32 167.55(54) 1_555 1_555 1_555 H52 C42 C52 25.00(21) 1_555 1_555 1_555 H52 C42 C32 142.55(39) 1_555 1_555 1_555 H52 C42 H42 96.23(27) 1_555 1_555 1_555 C22 C42 H52 112.70(47) 1_555 1_555 1_555 C22 C42 H32 54.85(18) 1_555 1_555 1_555 C22 C42 C52 87.70(38) 1_555 1_555 1_555 C22 C42 C32 29.85(17) 1_555 1_555 1_555 C22 C42 H42 151.08(24) 1_555 1_555 1_555 C62 C42 C22 57.85(48) 1_555 1_555 1_555 C62 C42 H52 54.85(18) 1_555 1_555 1_555 C62 C42 H32 112.70(47) 1_555 1_555 1_555 C62 C42 C52 29.85(17) 1_555 1_555 1_555 C62 C42 C32 87.70(38) 1_555 1_555 1_555 C62 C42 H42 151.08(24) 1_555 1_555 1_555 H121 C42 C62 64.80(46) 3_555 1_555 1_555 H121 C42 C22 71.89(77) 3_555 1_555 1_555 H121 C42 H52 80.58(54) 3_555 1_555 1_555 H121 C42 H32 94.15(62) 3_555 1_555 1_555 H121 C42 C52 71.36(41) 3_555 1_555 1_555 H121 C42 C32 83.30(73) 3_555 1_555 1_555 H121 C42 H42 114.89(66) 3_555 1_555 1_555 C12 C42 H121 65.11(66) 1_555 1_555 3_555 C12 C42 C62 28.92(24) 1_555 1_555 1_555 C12 C42 C22 28.92(24) 1_555 1_555 1_555 C12 C42 H52 83.77(27) 1_555 1_555 1_555 C12 C42 H32 83.77(27) 1_555 1_555 1_555 C12 C42 C52 58.78(17) 1_555 1_555 1_555 C12 C42 C32 58.78(17) 1_555 1_555 1_555 C12 C42 H42 180.000000000000(77) 1_555 1_555 1_555 H32 C42 C12 105.41(51) 2_755 1_555 1_555 H32 C42 H121 170.28(78) 2_755 1_555 3_555 H32 C42 C62 108.20(61) 2_755 1_555 1_555 H32 C42 C22 98.80(37) 2_755 1_555 1_555 H32 C42 H52 101.11(54) 2_755 1_555 1_555 H32 C42 H32 82.24(42) 2_755 1_555 1_555 H32 C42 C52 106.19(61) 2_755 1_555 1_555 H32 C42 C32 89.82(34) 2_755 1_555 1_555 H32 C42 H42 74.59(51) 2_755 1_555 1_555 H32 C42 H32 99.9(11) 4_766 1_555 2_755 H32 C42 C12 130.79(89) 4_766 1_555 1_555 H32 C42 H121 85.8(10) 4_766 1_555 3_555 H32 C42 C62 149.34(88) 4_766 1_555 1_555 H32 C42 C22 106.46(90) 4_766 1_555 1_555 H32 C42 H52 131.58(71) 4_766 1_555 1_555 H32 C42 H32 58.54(82) 4_766 1_555 1_555 H32 C42 C52 148.06(71) 4_766 1_555 1_555 H32 C42 C32 80.14(82) 4_766 1_555 1_555 H32 C42 H42 49.21(89) 4_766 1_555 1_555 H22 C42 H32 119.92(60) 1_565 1_555 4_766 H22 C42 H32 44.5(10) 1_565 1_555 2_755 H22 C42 C12 107.56(73) 1_565 1_555 1_555 H22 C42 H121 138.43(99) 1_565 1_555 3_555 H22 C42 C62 89.39(95) 1_565 1_555 1_555 H22 C42 C22 122.60(45) 1_565 1_555 1_555 H22 C42 H52 57.9(10) 1_565 1_555 1_555 H22 C42 H32 126.68(94) 1_565 1_555 1_555 H22 C42 C52 70.8(11) 1_565 1_555 1_555 H22 C42 C32 129.95(60) 1_565 1_555 1_555 H22 C42 H42 72.44(73) 1_565 1_555 1_555 C62 C52 H52 118.24(36) 1_555 1_555 1_555 C42 C52 C62 120.08(33) 1_555 1_555 1_555 C42 C52 H52 121.68(48) 1_555 1_555 1_555 H62 C52 C42 146.55(24) 1_555 1_555 1_555 H62 C52 C62 26.47(30) 1_555 1_555 1_555 H62 C52 H52 91.77(46) 1_555 1_555 1_555 H42 C52 H62 171.74(26) 1_555 1_555 1_555 H42 C52 C42 25.185(95) 1_555 1_555 1_555 H42 C52 C62 145.27(34) 1_555 1_555 1_555 H42 C52 H52 96.49(49) 1_555 1_555 1_555 C32 C52 H42 56.41(12) 1_555 1_555 1_555 C32 C52 H62 115.33(25) 1_555 1_555 1_555 C32 C52 C42 31.22(17) 1_555 1_555 1_555 C32 C52 C62 88.86(37) 1_555 1_555 1_555 C32 C52 H52 152.90(51) 1_555 1_555 1_555 C12 C52 C32 60.187(96) 1_555 1_555 1_555 C12 C52 H42 116.60(17) 1_555 1_555 1_555 C12 C52 H62 55.14(24) 1_555 1_555 1_555 C12 C52 C42 91.41(19) 1_555 1_555 1_555 C12 C52 C62 28.67(38) 1_555 1_555 1_555 C12 C52 H52 146.91(52) 1_555 1_555 1_555 H121 C52 C12 72.31(81) 3_555 1_555 1_555 H121 C52 C32 70.93(53) 3_555 1_555 1_555 H121 C52 H42 87.43(73) 3_555 1_555 1_555 H121 C52 H62 89.56(76) 3_555 1_555 1_555 H121 C52 C42 78.76(60) 3_555 1_555 1_555 H121 C52 C62 80.24(84) 3_555 1_555 1_555 H121 C52 H52 111.41(64) 3_555 1_555 1_555 C22 C52 H121 68.64(66) 1_555 1_555 3_555 C22 C52 C12 29.75(14) 1_555 1_555 1_555 C22 C52 C32 30.44(15) 1_555 1_555 1_555 C22 C52 H42 86.85(24) 1_555 1_555 1_555 C22 C52 H62 84.89(35) 1_555 1_555 1_555 C22 C52 C42 61.66(28) 1_555 1_555 1_555 C22 C52 C62 58.42(49) 1_555 1_555 1_555 C22 C52 H52 176.66(60) 1_555 1_555 1_555 H22 C52 C22 116.15(77) 1_565 1_555 1_555 H22 C52 H121 153.8(15) 1_565 1_555 3_555 H22 C52 C12 125.62(47) 1_565 1_555 1_555 H22 C52 C32 100.15(95) 1_565 1_555 1_555 H22 C52 H42 67.82(91) 1_565 1_555 1_555 H22 C52 H62 116.11(84) 1_565 1_555 1_555 H22 C52 C42 81.67(99) 1_565 1_555 1_555 H22 C52 C62 125.00(60) 1_565 1_555 1_555 H22 C52 H52 65.38(78) 1_565 1_555 1_555 H121 C52 H22 47.72(38) 1_565 1_555 1_565 H121 C52 C22 115.58(44) 1_565 1_555 1_555 H121 C52 H121 156.5(16) 1_565 1_555 3_555 H121 C52 C12 99.96(36) 1_565 1_555 1_555 H121 C52 C32 125.32(84) 1_565 1_555 1_555 H121 C52 H42 115.45(94) 1_565 1_555 1_555 H121 C52 H62 68.50(89) 1_565 1_555 1_555 H121 C52 C42 124.3(10) 1_565 1_555 1_555 H121 C52 C62 83.09(67) 1_565 1_555 1_555 H121 C52 H52 62.96(53) 1_565 1_555 1_555 H61 C52 H121 88.02(98) 3_564 1_555 1_565 H61 C52 H22 117.68(92) 3_564 1_555 1_565 H61 C52 C22 122.7(11) 3_564 1_555 1_555 H61 C52 H121 71.9(11) 3_564 1_555 3_555 H61 C52 C12 99.2(10) 3_564 1_555 1_555 H61 C52 C32 141.5(10) 3_564 1_555 1_555 H61 C52 H42 130.83(67) 3_564 1_555 1_555 H61 C52 H62 54.94(75) 3_564 1_555 1_555 H61 C52 C42 143.79(61) 3_564 1_555 1_555 H61 C52 C62 75.57(96) 3_564 1_555 1_555 H61 C52 H52 54.8(12) 3_564 1_555 1_555 C12 C62 H62 119.63(36) 1_555 1_555 1_555 C52 C62 C12 122.00(58) 1_555 1_555 1_555 C52 C62 H62 118.38(68) 1_555 1_555 1_555 H52 C62 C52 26.53(16) 1_555 1_555 1_555 H52 C62 C12 148.53(61) 1_555 1_555 1_555 H52 C62 H62 91.85(71) 1_555 1_555 1_555 C22 C62 H52 117.67(40) 1_555 1_555 1_555 C22 C62 C52 91.14(37) 1_555 1_555 1_555 C22 C62 C12 30.86(29) 1_555 1_555 1_555 C22 C62 H62 150.48(46) 1_555 1_555 1_555 N12 C62 C22 60.81(22) 1_555 1_555 1_555 N12 C62 H52 176.30(30) 1_555 1_555 1_555 N12 C62 C52 151.71(56) 1_555 1_555 1_555 N12 C62 C12 30.06(16) 1_555 1_555 1_555 N12 C62 H62 89.73(39) 1_555 1_555 1_555 C42 C62 N12 121.77(44) 1_555 1_555 1_555 C42 C62 C22 61.08(24) 1_555 1_555 1_555 C42 C62 H52 56.59(25) 1_555 1_555 1_555 C42 C62 C52 30.07(17) 1_555 1_555 1_555 C42 C62 C12 91.93(45) 1_555 1_555 1_555 C42 C62 H62 148.44(57) 1_555 1_555 1_555 H122 C62 C42 142.16(50) 1_555 1_555 1_555 H122 C62 N12 23.14(12) 1_555 1_555 1_555 H122 C62 C22 81.67(28) 1_555 1_555 1_555 H122 C62 H52 159.61(59) 1_555 1_555 1_555 H122 C62 C52 170.10(54) 1_555 1_555 1_555 H122 C62 C12 51.08(25) 1_555 1_555 1_555 H122 C62 H62 69.03(44) 1_555 1_555 1_555 C32 C62 H122 111.88(40) 1_555 1_555 1_555 C32 C62 C42 30.64(12) 1_555 1_555 1_555 C32 C62 N12 91.19(34) 1_555 1_555 1_555 C32 C62 C22 30.44(15) 1_555 1_555 1_555 C32 C62 H52 87.23(33) 1_555 1_555 1_555 C32 C62 C52 60.70(27) 1_555 1_555 1_555 C32 C62 C12 61.29(37) 1_555 1_555 1_555 C32 C62 H62 179.08(51) 1_555 1_555 1_555 H121 C62 C32 64.26(60) 3_555 1_555 1_555 H121 C62 H122 113.5(10) 3_555 1_555 1_555 H121 C62 C42 63.48(88) 3_555 1_555 1_555 H121 C62 N12 95.71(97) 3_555 1_555 1_555 H121 C62 C22 72.41(57) 3_555 1_555 1_555 H121 C62 H52 80.59(97) 3_555 1_555 1_555 H121 C62 C52 70.3(10) 3_555 1_555 1_555 H121 C62 C12 85.22(82) 3_555 1_555 1_555 H121 C62 H62 115.59(62) 3_555 1_555 1_555 H61 C62 H121 70.67(76) 3_564 1_555 3_555 H61 C62 C32 126.11(57) 3_564 1_555 1_555 H61 C62 H122 112.09(90) 3_564 1_555 1_555 H61 C62 C42 102.37(69) 3_564 1_555 1_555 H61 C62 N12 121.9(10) 3_564 1_555 1_555 H61 C62 C22 143.06(78) 3_564 1_555 1_555 H61 C62 H52 56.9(10) 3_564 1_555 1_555 H61 C62 C52 77.72(86) 3_564 1_555 1_555 H61 C62 C12 141.9(11) 3_564 1_555 1_555 H61 C62 H62 53.23(69) 3_564 1_555 1_555 H52 C62 H61 129.1(12) 3_564 1_555 3_564 H52 C62 H121 157.2(17) 3_564 1_555 3_555 H52 C62 C32 102.33(78) 3_564 1_555 1_555 H52 C62 H122 52.20(72) 3_564 1_555 1_555 H52 C62 C42 115.04(52) 3_564 1_555 1_555 H52 C62 N12 64.95(85) 3_564 1_555 1_555 H52 C62 C22 86.91(95) 3_564 1_555 1_555 H52 C62 H52 118.66(85) 3_564 1_555 1_555 H52 C62 C52 120.95(55) 3_564 1_555 1_555 H52 C62 C12 71.96(99) 3_564 1_555 1_555 H52 C62 H62 78.12(77) 3_564 1_555 1_555 H121 C62 H52 62.43(88) 1_565 1_555 3_564 H121 C62 H61 85.74(91) 1_565 1_555 3_564 H121 C62 H121 137.8(13) 1_565 1_555 3_555 H121 C62 C32 108.7(10) 1_565 1_555 1_555 H121 C62 H122 107.63(66) 1_565 1_555 1_555 H121 C62 C42 89.56(91) 1_565 1_555 1_555 H121 C62 N12 126.44(53) 1_565 1_555 1_555 H121 C62 C22 123.98(95) 1_565 1_555 1_555 H121 C62 H52 57.26(50) 1_565 1_555 1_555 H121 C62 C52 70.81(71) 1_565 1_555 1_555 H121 C62 C12 129.99(61) 1_565 1_555 1_555 H121 C62 H62 70.7(11) 1_565 1_555 1_555 H112 C62 H121 138.16(94) 3_554 1_555 1_565 H112 C62 H52 96.44(83) 3_554 1_555 3_564 H112 C62 H61 81.33(68) 3_554 1_555 3_564 H112 C62 H121 73.5(13) 3_554 1_555 3_555 H112 C62 C32 111.0(12) 3_554 1_555 1_555 H112 C62 H122 44.49(78) 3_554 1_555 1_555 H112 C62 C42 132.0(10) 3_554 1_555 1_555 H112 C62 N12 41.5(11) 3_554 1_555 1_555 H112 C62 C22 87.2(13) 3_554 1_555 1_555 H112 C62 H52 136.4(11) 3_554 1_555 1_555 H112 C62 C52 142.44(71) 3_554 1_555 1_555 H112 C62 C12 63.4(13) 3_554 1_555 1_555 H112 C62 H62 69.6(13) 3_554 1_555 1_555 H122 H121 N12 35.09(45) 1_555 1_555 1_555 C12 H121 H122 65.83(19) 1_555 1_555 1_555 C12 H121 N12 37.92(24) 1_555 1_555 1_555 H22 H121 C12 56.55(30) 1_555 1_555 1_555 H22 H121 H122 121.93(27) 1_555 1_555 1_555 H22 H121 N12 92.62(48) 1_555 1_555 1_555 C22 H121 H22 24.74(13) 1_555 1_555 1_555 C22 H121 C12 31.83(25) 1_555 1_555 1_555 C22 H121 H122 97.31(26) 1_555 1_555 1_555 C22 H121 N12 68.68(40) 1_555 1_555 1_555 C52 H121 C22 130.5(13) 3_554 1_555 1_555 C52 H121 H22 107.9(13) 3_554 1_555 1_555 C52 H121 C12 156.3(12) 3_554 1_555 1_555 C52 H121 H122 123.3(14) 3_554 1_555 1_555 C52 H121 N12 158.1(15) 3_554 1_555 1_555 H52 H121 C52 113.1(11) 1_545 1_555 3_554 H52 H121 C22 66.46(87) 1_545 1_555 1_555 H52 H121 H22 61.7(12) 1_545 1_555 1_555 H52 H121 C12 77.07(52) 1_545 1_555 1_555 H52 H121 H122 113.2(10) 1_545 1_555 1_555 H52 H121 N12 82.93(92) 1_545 1_555 1_555 C42 H121 H52 104.8(13) 3_554 1_555 1_545 C42 H121 C52 29.88(44) 3_554 1_555 3_554 C42 H121 C22 100.60(96) 3_554 1_555 1_555 C42 H121 H22 78.78(92) 3_554 1_555 1_555 C42 H121 C12 128.6(10) 3_554 1_555 1_555 C42 H121 H122 141.88(98) 3_554 1_555 1_555 C42 H121 N12 163.5(12) 3_554 1_555 1_555 C62 H121 C42 51.71(56) 3_554 1_555 3_554 C62 H121 H52 139.3(11) 3_554 1_555 1_545 C62 H121 C52 29.46(27) 3_554 1_555 3_554 C62 H121 C22 141.14(89) 3_554 1_555 1_555 C62 H121 H22 127.5(11) 3_554 1_555 1_555 C62 H121 C12 143.3(13) 3_554 1_555 1_555 C62 H121 H122 94.6(14) 3_554 1_555 1_555 C62 H121 N12 129.7(15) 3_554 1_555 1_555 H112 H121 C62 124.4(13) 3_554 1_555 3_554 H112 H121 C42 156.3(15) 3_554 1_555 3_554 H112 H121 H52 62.0(11) 3_554 1_555 1_545 H112 H121 C52 133.5(13) 3_554 1_555 3_554 H112 H121 C22 91.98(82) 3_554 1_555 1_555 H112 H121 H22 107.94(87) 3_554 1_555 1_555 H112 H121 C12 70.16(92) 3_554 1_555 1_555 H112 H121 H122 54.0(13) 3_554 1_555 1_555 H112 H121 N12 40.0(12) 3_554 1_555 1_555 C32 H121 H112 175.5(15) 3_554 1_555 3_554 C32 H121 C62 57.17(54) 3_554 1_555 3_554 C32 H121 C42 28.20(32) 3_554 1_555 3_554 C32 H121 H52 120.0(14) 3_554 1_555 1_545 C32 H121 C52 50.27(59) 3_554 1_555 3_554 C32 H121 C22 85.53(64) 3_554 1_555 1_555 C32 H121 H22 71.01(54) 3_554 1_555 1_555 C32 H121 C12 106.01(78) 3_554 1_555 1_555 C32 H121 H122 122.53(90) 3_554 1_555 1_555 C32 H121 N12 135.5(11) 3_554 1_555 1_555 H62 H121 C32 118.38(82) 1_545 1_555 3_554 H62 H121 H112 66.1(11) 1_545 1_555 3_554 H62 H121 C62 92.90(67) 1_545 1_555 3_554 H62 H121 C42 90.26(68) 1_545 1_555 3_554 H62 H121 H52 50.34(52) 1_545 1_555 1_545 H62 H121 C52 76.71(59) 1_545 1_555 3_554 H62 H121 C22 116.46(90) 1_545 1_555 1_555 H62 H121 H22 105.0(10) 1_545 1_555 1_555 H62 H121 C12 122.60(81) 1_545 1_555 1_555 H62 H121 H122 111.2(10) 1_545 1_555 1_555 H62 H121 N12 105.7(10) 1_545 1_555 1_555 C52 H121 H62 41.86(35) 1_545 1_555 1_545 C52 H121 C32 104.6(11) 1_545 1_555 3_554 C52 H121 H112 78.4(11) 1_545 1_555 3_554 C52 H121 C62 120.0(12) 1_545 1_555 3_554 C52 H121 C42 85.03(99) 1_545 1_555 3_554 C52 H121 H52 21.01(22) 1_545 1_555 1_545 C52 H121 C52 92.4(10) 1_545 1_555 3_554 C52 H121 C22 76.68(76) 1_545 1_555 1_555 C52 H121 H22 63.27(96) 1_545 1_555 1_555 C52 H121 C12 94.90(61) 1_545 1_555 1_555 C52 H121 H122 132.0(10) 1_545 1_555 1_555 C52 H121 N12 103.85(97) 1_545 1_555 1_555 C12 H121 C52 141.4(12) 3_554 1_555 1_545 C12 H121 H62 119.79(64) 3_554 1_555 1_545 C12 H121 C32 47.81(36) 3_554 1_555 3_554 C12 H121 H112 131.2(14) 3_554 1_555 3_554 C12 H121 C62 26.92(27) 3_554 1_555 3_554 C12 H121 C42 58.39(48) 3_554 1_555 3_554 C12 H121 H52 162.4(14) 3_554 1_555 1_545 C12 H121 C52 49.91(36) 3_554 1_555 3_554 C12 H121 C22 118.87(80) 3_554 1_555 1_555 C12 H121 H22 115.22(67) 3_554 1_555 1_555 C12 H121 C12 116.7(11) 3_554 1_555 1_555 C12 H121 H122 83.5(11) 3_554 1_555 1_555 C12 H121 N12 114.7(13) 3_554 1_555 1_555 C22 H121 C12 26.02(25) 3_554 1_555 3_554 C22 H121 C52 131.3(12) 3_554 1_555 1_545 C22 H121 H62 133.65(74) 3_554 1_555 1_545 C22 H121 C32 26.77(22) 3_554 1_555 3_554 C22 H121 H112 150.3(16) 3_554 1_555 3_554 C22 H121 C62 46.98(50) 3_554 1_555 3_554 C22 H121 C42 48.90(44) 3_554 1_555 3_554 C22 H121 H52 146.1(15) 3_554 1_555 1_545 C22 H121 C52 56.95(51) 3_554 1_555 3_554 C22 H121 C22 94.86(64) 3_554 1_555 1_555 C22 H121 H22 89.23(56) 3_554 1_555 1_555 C22 H121 C12 102.24(85) 3_554 1_555 1_555 C22 H121 H122 96.43(87) 3_554 1_555 1_555 C22 H121 N12 117.6(11) 3_554 1_555 1_555 C62 H121 C22 126.53(96) 1_545 1_555 3_554 C62 H121 C12 123.07(88) 1_545 1_555 3_554 C62 H121 C52 26.10(19) 1_545 1_555 1_545 C62 H121 H62 20.06(15) 1_545 1_555 1_545 C62 H121 C32 104.66(93) 1_545 1_555 3_554 C62 H121 H112 79.6(12) 1_545 1_555 3_554 C62 H121 C62 97.51(89) 1_545 1_555 3_554 C62 H121 C42 78.16(76) 1_545 1_555 3_554 C62 H121 H52 41.91(33) 1_545 1_555 1_545 C62 H121 C52 73.85(74) 1_545 1_555 3_554 C62 H121 C22 102.69(86) 1_545 1_555 1_555 C62 H121 H22 86.92(98) 1_545 1_555 1_555 C62 H121 C12 118.98(77) 1_545 1_555 1_555 C62 H121 H122 129.8(11) 1_545 1_555 1_555 C62 H121 N12 115.8(11) 1_545 1_555 1_555 H121 H122 N12 35.09(45) 1_555 1_555 1_555 C12 H122 H121 65.83(19) 1_555 1_555 1_555 C12 H122 N12 37.92(24) 1_555 1_555 1_555 H112 H122 C12 82.6(10) 3_554 1_555 1_555 H112 H122 H121 89.0(19) 3_554 1_555 1_555 H112 H122 N12 68.5(16) 3_554 1_555 1_555 N11 H122 H112 102.4(19) 1_554 1_555 3_554 N11 H122 C12 169.5(16) 1_554 1_555 1_555 N11 H122 H121 123.0(16) 1_554 1_555 1_555 N11 H122 N12 152.6(17) 1_554 1_555 1_555 H112 H122 N11 24.81(42) 1_554 1_555 1_554 H112 H122 H112 127.0(22) 1_554 1_555 3_554 H112 H122 C12 148.1(16) 1_554 1_555 1_555 H112 H122 H121 119.7(15) 1_554 1_555 1_555 H112 H122 N12 154.5(16) 1_554 1_555 1_555 H62 H122 H112 113.5(15) 1_555 1_555 1_554 H62 H122 N11 116.4(16) 1_555 1_555 1_554 H62 H122 H112 78.8(15) 1_555 1_555 3_554 H62 H122 C12 55.09(29) 1_555 1_555 1_555 H62 H122 H121 120.62(28) 1_555 1_555 1_555 H62 H122 N12 87.99(50) 1_555 1_555 1_555 H52 H122 H62 74.98(80) 3_564 1_555 1_555 H52 H122 H112 69.0(15) 3_564 1_555 1_554 H52 H122 N11 93.0(15) 3_564 1_555 1_554 H52 H122 H112 153.4(18) 3_564 1_555 3_554 H52 H122 C12 79.06(60) 3_564 1_555 1_555 H52 H122 H121 100.7(12) 3_564 1_555 1_555 H52 H122 N12 106.1(10) 3_564 1_555 1_555 H61 H122 H52 59.6(13) 1_554 1_555 3_564 H61 H122 H62 56.01(91) 1_554 1_555 1_555 H61 H122 H112 57.6(10) 1_554 1_555 1_554 H61 H122 N11 64.1(11) 1_554 1_555 1_554 H61 H122 H112 108.1(22) 1_554 1_555 3_554 H61 H122 C12 105.66(94) 1_554 1_555 1_555 H61 H122 H121 160.2(10) 1_554 1_555 1_555 H61 H122 N12 142.9(10) 1_554 1_555 1_555 C62 H122 H61 76.66(95) 1_555 1_555 1_554 C62 H122 H52 73.02(51) 1_555 1_555 3_564 C62 H122 H62 24.23(13) 1_555 1_555 1_555 C62 H122 H112 130.9(16) 1_555 1_555 1_554 C62 H122 N11 139.9(16) 1_555 1_555 1_554 C62 H122 H112 81.3(11) 1_555 1_555 3_554 C62 H122 C12 31.01(25) 1_555 1_555 1_555 C62 H122 H121 96.82(26) 1_555 1_555 1_555 C62 H122 N12 66.25(40) 1_555 1_555 1_555 C11 H122 C62 112.7(12) 1_554 1_555 1_555 C11 H122 H61 46.34(78) 1_554 1_555 1_554 C11 H122 H52 97.9(16) 1_554 1_555 3_564 C11 H122 H62 88.5(12) 1_554 1_555 1_555 C11 H122 H112 46.23(74) 1_554 1_555 1_554 C11 H122 N11 30.52(55) 1_554 1_555 1_554 C11 H122 H112 85.4(19) 1_554 1_555 3_554 C11 H122 C12 143.2(12) 1_554 1_555 1_555 C11 H122 H121 148.7(13) 1_554 1_555 1_555 C11 H122 N12 153.9(14) 1_554 1_555 1_555 C61 H122 C11 28.12(50) 1_554 1_555 1_554 C61 H122 C62 86.1(10) 1_554 1_555 1_555 C61 H122 H61 22.22(40) 1_554 1_555 1_554 C61 H122 H52 81.4(16) 1_554 1_555 3_564 C61 H122 H62 62.19(96) 1_554 1_555 1_555 C61 H122 H112 58.66(96) 1_554 1_555 1_554 C61 H122 N11 54.24(94) 1_554 1_555 1_554 C61 H122 H112 90.1(21) 1_554 1_555 3_554 C61 H122 C12 117.12(97) 1_554 1_555 1_555 C61 H122 H121 176.8(10) 1_554 1_555 1_555 C61 H122 N12 146.7(11) 1_554 1_555 1_555 H111 H122 C61 56.8(12) 3_554 1_555 1_554 H111 H122 C11 60.0(12) 3_554 1_555 1_554 H111 H122 C62 74.32(91) 3_554 1_555 1_555 H111 H122 H61 74.1(13) 3_554 1_555 1_554 H111 H122 H52 127.9(20) 3_554 1_555 3_564 H111 H122 H62 59.2(10) 3_554 1_555 1_555 H111 H122 H112 106.3(18) 3_554 1_555 1_554 H111 H122 N11 86.7(16) 3_554 1_555 1_554 H111 H122 H112 34.02(94) 3_554 1_555 3_554 H111 H122 C12 92.67(88) 3_554 1_555 1_555 H111 H122 H121 122.6(12) 3_554 1_555 1_555 H111 H122 N12 96.3(12) 3_554 1_555 1_555 N11 H122 H111 19.69(31) 3_554 1_555 3_554 N11 H122 C61 76.5(14) 3_554 1_555 1_554 N11 H122 C11 76.4(14) 3_554 1_555 1_554 N11 H122 C62 74.44(78) 3_554 1_555 1_555 N11 H122 H61 93.4(16) 3_554 1_555 1_554 N11 H122 H52 141.6(18) 3_554 1_555 3_564 N11 H122 H62 67.0(10) 3_554 1_555 1_555 N11 H122 H112 121.6(19) 3_554 1_555 1_554 N11 H122 N11 98.9(17) 3_554 1_555 1_554 N11 H122 H112 15.00(66) 3_554 1_555 3_554 N11 H122 C12 83.54(77) 3_554 1_555 1_555 N11 H122 H121 102.9(13) 3_554 1_555 1_555 N11 H122 N12 78.4(13) 3_554 1_555 1_555 H111 H122 N11 98.4(13) 1_554 1_555 3_554 H111 H122 H111 90.0(14) 1_554 1_555 3_554 H111 H122 C61 66.21(90) 1_554 1_555 1_554 H111 H122 C11 40.27(62) 1_554 1_555 1_554 H111 H122 C62 152.3(14) 1_554 1_555 1_555 H111 H122 H61 77.1(10) 1_554 1_555 1_554 H111 H122 H52 100.9(12) 1_554 1_555 3_564 H111 H122 H62 128.3(14) 1_554 1_555 1_555 H111 H122 H112 32.14(65) 1_554 1_555 1_554 H111 H122 N11 13.05(52) 1_554 1_555 1_554 H111 H122 H112 98.5(15) 1_554 1_555 3_554 H111 H122 C12 176.6(14) 1_554 1_555 1_555 H111 H122 H121 110.9(13) 1_554 1_555 1_555 H111 H122 N12 139.6(14) 1_554 1_555 1_555 C12 H22 C22 34.08(25) 1_555 1_555 1_555 C32 H22 C12 69.24(27) 1_555 1_555 1_555 C32 H22 C22 35.15(40) 1_555 1_555 1_555 H32 H22 C32 118.5(13) 2_745 1_555 1_555 H32 H22 C12 166.2(11) 2_745 1_555 1_555 H32 H22 C22 152.1(14) 2_745 1_555 1_555 H121 H22 H32 116.2(13) 1_555 1_555 2_745 H121 H22 C32 123.46(42) 1_555 1_555 1_555 H121 H22 C12 54.32(30) 1_555 1_555 1_555 H121 H22 C22 88.36(41) 1_555 1_555 1_555 H32 H22 H121 149.90(49) 1_555 1_555 1_555 H32 H22 H32 92.5(13) 1_555 1_555 2_745 H32 H22 C32 26.50(18) 1_555 1_555 1_555 H32 H22 C12 95.74(39) 1_555 1_555 1_555 H32 H22 C22 61.65(54) 1_555 1_555 1_555 H52 H22 H32 116.20(65) 1_545 1_555 1_555 H52 H22 H121 64.97(99) 1_545 1_555 1_555 H52 H22 H32 108.20(80) 1_545 1_555 2_745 H52 H22 C32 108.72(49) 1_545 1_555 1_555 H52 H22 C12 77.91(85) 1_545 1_555 1_555 H52 H22 C22 93.63(60) 1_545 1_555 1_555 N12 H22 H52 63.40(96) 1_555 1_555 1_545 N12 H22 H32 127.59(42) 1_555 1_555 1_555 N12 H22 H121 23.08(14) 1_555 1_555 1_555 N12 H22 H32 139.3(13) 1_555 1_555 2_745 N12 H22 C32 101.14(33) 1_555 1_555 1_555 N12 H22 C12 32.05(18) 1_555 1_555 1_555 N12 H22 C22 66.04(32) 1_555 1_555 1_555 C52 H22 N12 76.1(10) 1_545 1_555 1_555 C52 H22 H52 22.12(24) 1_545 1_555 1_545 C52 H22 H32 124.51(62) 1_545 1_555 1_555 C52 H22 H121 69.00(98) 1_545 1_555 1_555 C52 H22 H32 86.82(73) 1_545 1_555 2_745 C52 H22 C32 126.21(45) 1_545 1_555 1_555 C52 H22 C12 97.48(99) 1_545 1_555 1_555 C52 H22 C22 115.74(77) 1_545 1_555 1_555 H42 H22 C52 44.49(27) 1_545 1_555 1_545 H42 H22 N12 118.1(11) 1_545 1_555 1_555 H42 H22 H52 54.82(41) 1_545 1_555 1_545 H42 H22 H32 85.82(73) 1_545 1_555 1_555 H42 H22 H121 113.4(11) 1_545 1_555 1_555 H42 H22 H32 64.9(11) 1_545 1_555 2_745 H42 H22 C32 101.51(49) 1_545 1_555 1_555 H42 H22 C12 126.70(95) 1_545 1_555 1_555 H42 H22 C22 119.18(56) 1_545 1_555 1_555 C32 H22 H42 67.85(86) 2_745 1_555 1_545 C32 H22 C52 100.48(55) 2_745 1_555 1_545 C32 H22 N12 156.96(87) 2_745 1_555 1_555 C32 H22 H52 119.58(66) 2_745 1_555 1_545 C32 H22 H32 73.40(90) 2_745 1_555 1_555 C32 H22 H121 134.32(89) 2_745 1_555 1_555 C32 H22 H32 19.46(47) 2_745 1_555 2_745 C32 H22 C32 99.10(92) 2_745 1_555 1_555 C32 H22 C12 162.02(84) 2_745 1_555 1_555 C32 H22 C22 132.9(10) 2_745 1_555 1_555 H42 H22 C32 43.71(70) 2_745 1_555 2_745 H42 H22 H42 108.8(12) 2_745 1_555 1_545 H42 H22 C52 143.35(85) 2_745 1_555 1_545 H42 H22 N12 132.31(58) 2_745 1_555 1_555 H42 H22 H52 163.1(10) 2_745 1_555 1_545 H42 H22 H32 61.63(61) 2_745 1_555 1_555 H42 H22 H121 126.24(73) 2_745 1_555 1_555 H42 H22 H32 56.6(10) 2_745 1_555 2_745 H42 H22 C32 76.59(56) 2_745 1_555 1_555 H42 H22 C12 118.59(48) 2_745 1_555 1_555 H42 H22 C22 98.96(59) 2_745 1_555 1_555 C42 H22 H42 118.4(10) 1_545 1_555 2_745 C42 H22 C32 74.68(63) 1_545 1_555 2_745 C42 H22 H42 21.04(13) 1_545 1_555 1_545 C42 H22 C52 27.56(17) 1_545 1_555 1_545 C42 H22 N12 103.7(11) 1_545 1_555 1_555 C42 H22 H52 44.94(32) 1_545 1_555 1_545 C42 H22 H32 106.86(77) 1_545 1_555 1_555 C42 H22 H121 94.1(10) 1_545 1_555 1_555 C42 H22 H32 64.60(81) 1_545 1_555 2_745 C42 H22 C32 121.05(50) 1_545 1_555 1_555 C42 H22 C12 122.8(10) 1_545 1_555 1_555 C42 H22 C22 130.01(62) 1_545 1_555 1_555 H32 H22 C42 110.81(55) 3_554 1_555 1_545 H32 H22 H42 47.14(57) 3_554 1_555 2_745 H32 H22 C32 61.77(59) 3_554 1_555 2_745 H32 H22 H42 119.60(65) 3_554 1_555 1_545 H32 H22 C52 116.53(70) 3_554 1_555 1_545 H32 H22 N12 98.88(53) 3_554 1_555 1_555 H32 H22 H52 133.6(10) 3_554 1_555 1_545 H32 H22 H32 108.43(80) 3_554 1_555 1_555 H32 H22 H121 82.84(70) 3_554 1_555 1_555 H32 H22 H32 56.37(88) 3_554 1_555 2_745 H32 H22 C32 116.92(87) 3_554 1_555 1_555 H32 H22 C12 110.31(48) 3_554 1_555 1_555 H32 H22 C22 119.01(71) 3_554 1_555 1_555 C32 H22 H32 20.04(10) 3_554 1_555 3_554 C32 H22 C42 106.69(57) 3_554 1_555 1_545 C32 H22 H42 66.86(55) 3_554 1_555 2_745 C32 H22 C32 77.70(60) 3_554 1_555 2_745 C32 H22 H42 122.01(63) 3_554 1_555 1_545 C32 H22 C52 103.38(69) 3_554 1_555 1_545 C32 H22 N12 80.94(66) 3_554 1_555 1_555 C32 H22 H52 116.4(10) 3_554 1_555 1_545 C32 H22 H32 127.23(72) 3_554 1_555 1_555 C32 H22 H121 63.14(74) 3_554 1_555 1_555 C32 H22 H32 67.31(80) 3_554 1_555 2_745 C32 H22 C32 129.64(68) 3_554 1_555 1_555 C32 H22 C12 98.89(61) 3_554 1_555 1_555 C32 H22 C22 118.52(61) 3_554 1_555 1_555 C22 H32 C32 35.23(22) 1_555 1_555 1_555 C42 H32 C22 68.56(23) 1_555 1_555 1_555 C42 H32 C32 33.33(29) 1_555 1_555 1_555 H22 H32 C42 94.24(67) 2_755 1_555 1_555 H22 H32 C22 134.19(83) 2_755 1_555 1_555 H22 H32 C32 117.21(76) 2_755 1_555 1_555 H42 H32 H22 91.9(15) 4_766 1_555 2_755 H42 H32 C42 133.83(92) 4_766 1_555 1_555 H42 H32 C22 131.2(12) 4_766 1_555 1_555 H42 H32 C32 144.85(96) 4_766 1_555 1_555 H22 H32 H42 111.9(12) 1_555 1_555 4_766 H22 H32 H22 135.28(90) 1_555 1_555 2_755 H22 H32 C42 95.06(15) 1_555 1_555 1_555 H22 H32 C22 26.50(18) 1_555 1_555 1_555 H22 H32 C32 61.73(32) 1_555 1_555 1_555 H42 H32 H22 120.16(17) 1_555 1_555 1_555 H42 H32 H42 116.3(10) 1_555 1_555 4_766 H42 H32 H22 76.21(68) 1_555 1_555 2_755 H42 H32 C42 25.10(12) 1_555 1_555 1_555 H42 H32 C22 93.66(27) 1_555 1_555 1_555 H42 H32 C32 58.42(38) 1_555 1_555 1_555 H32 H32 H42 55.83(77) 4_766 1_555 1_555 H32 H32 H22 146.18(99) 4_766 1_555 1_555 H32 H32 H42 60.43(68) 4_766 1_555 4_766 H32 H32 H22 78.4(13) 4_766 1_555 2_755 H32 H32 C42 76.15(76) 4_766 1_555 1_555 H32 H32 C22 131.99(88) 4_766 1_555 1_555 H32 H32 C32 104.27(87) 4_766 1_555 1_555 H42 H32 H32 144.2(16) 2_745 1_555 4_766 H42 H32 H42 125.46(46) 2_745 1_555 1_555 H42 H32 H22 68.51(83) 2_745 1_555 1_555 H42 H32 H42 105.6(10) 2_745 1_555 4_766 H42 H32 H22 68.8(10) 2_745 1_555 2_755 H42 H32 C42 119.25(50) 2_745 1_555 1_555 H42 H32 C22 82.91(86) 2_745 1_555 1_555 H42 H32 C32 103.29(75) 2_745 1_555 1_555 C42 H32 H42 21.96(25) 2_745 1_555 2_745 C42 H32 H32 131.6(14) 2_745 1_555 4_766 C42 H32 H42 142.04(76) 2_745 1_555 1_555 C42 H32 H22 74.6(11) 2_745 1_555 1_555 C42 H32 H42 83.74(81) 2_745 1_555 4_766 C42 H32 H22 70.9(11) 2_745 1_555 2_755 C42 H32 C42 141.05(51) 2_745 1_555 1_555 C42 H32 C22 95.7(10) 2_745 1_555 1_555 C42 H32 C32 122.75(87) 2_745 1_555 1_555 C42 H32 C42 90.80(86) 4_766 1_555 2_745 C42 H32 H42 110.8(11) 4_766 1_555 2_745 C42 H32 H32 45.31(49) 4_766 1_555 4_766 C42 H32 H42 99.77(84) 4_766 1_555 1_555 C42 H32 H22 131.71(96) 4_766 1_555 1_555 C42 H32 H42 19.85(31) 4_766 1_555 4_766 C42 H32 H22 76.7(13) 4_766 1_555 2_755 C42 H32 C42 121.46(82) 4_766 1_555 1_555 C42 H32 C22 148.81(93) 4_766 1_555 1_555 C42 H32 C32 145.94(78) 4_766 1_555 1_555 C32 H32 C42 26.87(29) 4_766 1_555 4_766 C32 H32 C42 112.0(12) 4_766 1_555 2_745 C32 H32 H42 127.6(13) 4_766 1_555 2_745 C32 H32 H32 20.00(27) 4_766 1_555 4_766 C32 H32 H42 72.90(71) 4_766 1_555 1_555 C32 H32 H22 151.11(84) 4_766 1_555 1_555 C32 H32 H42 44.82(55) 4_766 1_555 4_766 C32 H32 H22 70.6(12) 4_766 1_555 2_755 C32 H32 C42 95.20(73) 4_766 1_555 1_555 C32 H32 C22 149.18(76) 4_766 1_555 1_555 C32 H32 C32 124.27(82) 4_766 1_555 1_555 H22 H32 C32 56.10(89) 3_555 1_555 4_766 H22 H32 C42 64.49(83) 3_555 1_555 4_766 H22 H32 C42 143.23(80) 3_555 1_555 2_745 H22 H32 H42 162.01(79) 3_555 1_555 2_745 H22 H32 H32 45.2(10) 3_555 1_555 4_766 H22 H32 H42 72.27(54) 3_555 1_555 1_555 H22 H32 H22 101.03(45) 3_555 1_555 1_555 H22 H32 H42 63.69(91) 3_555 1_555 4_766 H22 H32 H22 123.63(88) 3_555 1_555 2_755 H22 H32 C42 75.10(54) 3_555 1_555 1_555 H22 H32 C22 93.65(44) 3_555 1_555 1_555 H22 H32 C32 83.01(50) 3_555 1_555 1_555 C32 H32 H22 120.38(87) 2_745 1_555 3_555 C32 H32 C32 113.31(99) 2_745 1_555 4_766 C32 H32 C42 86.93(75) 2_745 1_555 4_766 C32 H32 C42 26.11(21) 2_745 1_555 2_745 C32 H32 H42 41.91(38) 2_745 1_555 2_745 C32 H32 H32 132.2(11) 2_745 1_555 4_766 C32 H32 H42 167.35(66) 2_745 1_555 1_555 C32 H32 H22 60.0(12) 2_745 1_555 1_555 C32 H32 H42 72.66(65) 2_745 1_555 4_766 C32 H32 H22 95.1(14) 2_745 1_555 2_755 C32 H32 C42 151.49(99) 2_745 1_555 1_555 C32 H32 C22 85.8(12) 2_745 1_555 1_555 C32 H32 C32 120.1(12) 2_745 1_555 1_555 C32 H42 C42 33.59(12) 1_555 1_555 1_555 C52 H42 C32 67.18(23) 1_555 1_555 1_555 C52 H42 C42 33.59(12) 1_555 1_555 1_555 H32 H42 C52 134.8(11) 4_766 1_555 1_555 H32 H42 C32 83.7(11) 4_766 1_555 1_555 H32 H42 C42 110.9(11) 4_766 1_555 1_555 H32 H42 H32 63.7(10) 1_555 1_555 4_766 H32 H42 C52 92.27(26) 1_555 1_555 1_555 H32 H42 C32 25.08(13) 1_555 1_555 1_555 H32 H42 C42 58.67(17) 1_555 1_555 1_555 H52 H42 H32 117.35(34) 1_555 1_555 1_555 H52 H42 H32 144.50(99) 1_555 1_555 4_766 H52 H42 C52 25.08(13) 1_555 1_555 1_555 H52 H42 C32 92.27(26) 1_555 1_555 1_555 H52 H42 C42 58.67(17) 1_555 1_555 1_555 H32 H42 H52 94.93(65) 2_755 1_555 1_555 H32 H42 H32 78.21(30) 2_755 1_555 1_555 H32 H42 H32 118.6(13) 2_755 1_555 4_766 H32 H42 C52 89.95(67) 2_755 1_555 1_555 H32 H42 C32 79.11(30) 2_755 1_555 1_555 H32 H42 C42 83.46(53) 2_755 1_555 1_555 H22 H42 H32 46.3(10) 1_565 1_555 2_755 H22 H42 H52 57.3(11) 1_565 1_555 1_555 H22 H42 H32 118.46(47) 1_565 1_555 1_555 H22 H42 H32 157.00(87) 1_565 1_555 4_766 H22 H42 C52 67.69(99) 1_565 1_555 1_555 H22 H42 C32 106.17(41) 1_565 1_555 1_555 H22 H42 C42 86.52(70) 1_565 1_555 1_555 H22 H42 H22 95.28(84) 2_755 1_555 1_565 H22 H42 H32 49.86(65) 2_755 1_555 2_755 H22 H42 H52 140.41(69) 2_755 1_555 1_555 H22 H42 H32 47.20(86) 2_755 1_555 1_555 H22 H42 H32 69.17(75) 2_755 1_555 4_766 H22 H42 C52 122.86(84) 2_755 1_555 1_555 H22 H42 C32 66.64(91) 2_755 1_555 1_555 H22 H42 C42 95.03(91) 2_755 1_555 1_555 C62 H52 C52 35.23(22) 1_555 1_555 1_555 C42 H52 C62 68.56(23) 1_555 1_555 1_555 C42 H52 C52 33.33(29) 1_555 1_555 1_555 H62 H52 C42 95.06(15) 1_555 1_555 1_555 H62 H52 C62 26.50(18) 1_555 1_555 1_555 H62 H52 C52 61.73(32) 1_555 1_555 1_555 H42 H52 H62 120.16(17) 1_555 1_555 1_555 H42 H52 C42 25.10(12) 1_555 1_555 1_555 H42 H52 C62 93.66(27) 1_555 1_555 1_555 H42 H52 C52 58.42(38) 1_555 1_555 1_555 H122 H52 H42 117.7(12) 3_565 1_555 1_555 H122 H52 H62 117.4(17) 3_565 1_555 1_555 H122 H52 C42 139.59(90) 3_565 1_555 1_555 H122 H52 C62 140.5(19) 3_565 1_555 1_555 H122 H52 C52 158.0(12) 3_565 1_555 1_555 H61 H52 H122 61.8(13) 3_564 1_555 3_565 H61 H52 H42 137.11(92) 3_564 1_555 1_555 H61 H52 H62 60.4(10) 3_564 1_555 1_555 H61 H52 C42 127.0(12) 3_564 1_555 1_555 H61 H52 C62 79.0(13) 3_564 1_555 1_555 H61 H52 C52 105.1(14) 3_564 1_555 1_555 H22 H52 H61 154.7(11) 1_565 1_555 3_564 H22 H52 H122 106.1(15) 1_565 1_555 3_565 H22 H52 H42 67.83(94) 1_565 1_555 1_555 H22 H52 H62 115.74(61) 1_565 1_555 1_555 H22 H52 C42 77.20(84) 1_565 1_555 1_555 H22 H52 C62 107.85(41) 1_565 1_555 1_555 H22 H52 C52 92.50(60) 1_565 1_555 1_555 H121 H52 H22 53.30(58) 1_565 1_555 1_565 H121 H52 H61 105.8(13) 1_565 1_555 3_564 H121 H52 H122 104.42(48) 1_565 1_555 3_565 H121 H52 H42 114.7(12) 1_565 1_555 1_555 H121 H52 H62 71.05(75) 1_565 1_555 1_555 H121 H52 C42 108.74(98) 1_565 1_555 1_555 H121 H52 C62 80.82(42) 1_565 1_555 1_555 H121 H52 C52 96.03(57) 1_565 1_555 1_555 N12 H52 H121 21.85(21) 1_565 1_555 1_565 N12 H52 H22 58.73(49) 1_565 1_555 1_565 N12 H52 H61 96.5(11) 1_565 1_555 3_564 N12 H52 H122 82.59(41) 1_565 1_555 3_565 N12 H52 H42 126.4(11) 1_565 1_555 1_555 N12 H52 H62 81.93(74) 1_565 1_555 1_555 N12 H52 C42 127.92(96) 1_565 1_555 1_555 N12 H52 C62 98.28(55) 1_565 1_555 1_555 N12 H52 C52 117.77(58) 1_565 1_555 1_555 H112 H52 N12 44.63(84) 3_564 1_555 1_565 H112 H52 H121 61.1(11) 3_564 1_555 1_565 H112 H52 H22 100.93(69) 3_564 1_555 1_565 H112 H52 H61 53.75(77) 3_564 1_555 3_564 H112 H52 H122 54.00(85) 3_564 1_555 3_565 H112 H52 H42 164.8(13) 3_564 1_555 1_555 H112 H52 H62 73.4(13) 3_564 1_555 1_555 H112 H52 C42 166.4(11) 3_564 1_555 1_555 H112 H52 C62 99.7(14) 3_564 1_555 1_555 H112 H52 C52 134.6(14) 3_564 1_555 1_555 C22 H52 H112 85.40(70) 1_565 1_555 3_564 C22 H52 N12 50.43(36) 1_565 1_555 1_565 C22 H52 H121 55.06(47) 1_565 1_555 1_565 C22 H52 H22 21.94(23) 1_565 1_555 1_565 C22 H52 H61 136.9(10) 1_565 1_555 3_564 C22 H52 H122 84.5(13) 1_565 1_555 3_565 C22 H52 H42 80.87(98) 1_565 1_555 1_555 C22 H52 H62 125.71(59) 1_565 1_555 1_555 C22 H52 C42 95.94(96) 1_565 1_555 1_555 C22 H52 C62 126.28(44) 1_565 1_555 1_555 C22 H52 C52 114.42(78) 1_565 1_555 1_555 C12 H52 C22 87.5(11) 3_565 1_555 1_565 C12 H52 H112 97.31(90) 3_565 1_555 3_564 C12 H52 N12 116.65(60) 3_565 1_555 1_565 C12 H52 H121 135.89(79) 3_565 1_555 1_565 C12 H52 H22 100.7(14) 3_565 1_555 1_565 C12 H52 H61 85.25(73) 3_565 1_555 3_564 C12 H52 H122 43.31(45) 3_565 1_555 3_565 C12 H52 H42 75.70(78) 3_565 1_555 1_555 C12 H52 H62 143.4(11) 3_565 1_555 1_555 C12 H52 C42 96.28(67) 3_565 1_555 1_555 C12 H52 C62 143.07(81) 3_565 1_555 1_555 C12 H52 C52 122.66(64) 3_565 1_555 1_555 C12 H52 C12 93.84(87) 1_565 1_555 3_565 C12 H52 C22 26.78(27) 1_565 1_555 1_565 C12 H52 H112 58.79(67) 1_565 1_555 3_564 C12 H52 N12 27.80(14) 1_565 1_555 1_565 C12 H52 H121 42.17(27) 1_565 1_555 1_565 C12 H52 H22 43.77(38) 1_565 1_555 1_565 C12 H52 H61 111.7(10) 1_565 1_555 3_564 C12 H52 H122 72.09(84) 1_565 1_555 3_565 C12 H52 H42 107.7(11) 1_565 1_555 1_555 C12 H52 H62 109.64(78) 1_565 1_555 1_555 C12 H52 C42 121.0(10) 1_565 1_555 1_555 C12 H52 C62 122.98(52) 1_565 1_555 1_555 C12 H52 C52 129.80(66) 1_565 1_555 1_555 N12 H52 C12 73.00(66) 3_565 1_555 1_565 N12 H52 C12 27.22(29) 3_565 1_555 3_565 N12 H52 C22 76.8(10) 3_565 1_555 1_565 N12 H52 H112 71.66(89) 3_565 1_555 3_564 N12 H52 N12 91.28(36) 3_565 1_555 1_565 N12 H52 H121 112.38(43) 3_565 1_555 1_565 N12 H52 H22 96.4(13) 3_565 1_555 1_565 N12 H52 H61 77.59(99) 3_565 1_555 3_564 N12 H52 H122 19.33(30) 3_565 1_555 3_565 N12 H52 H42 98.7(11) 3_565 1_555 1_555 N12 H52 H62 136.1(15) 3_565 1_555 1_555 N12 H52 C42 121.87(97) 3_565 1_555 1_555 N12 H52 C62 155.5(15) 3_565 1_555 1_555 N12 H52 C52 149.82(66) 3_565 1_555 1_555 H62 H52 N12 51.66(38) 3_565 1_555 3_565 H62 H52 C12 122.97(85) 3_565 1_555 1_565 H62 H52 C12 41.37(28) 3_565 1_555 3_565 H62 H52 C22 127.1(12) 3_565 1_555 1_565 H62 H52 H112 88.62(64) 3_565 1_555 3_564 H62 H52 N12 130.45(60) 3_565 1_555 1_565 H62 H52 H121 149.73(92) 3_565 1_555 1_565 H62 H52 H22 142.0(15) 3_565 1_555 1_565 H62 H52 H61 49.53(63) 3_565 1_555 3_564 H62 H52 H122 51.26(43) 3_565 1_555 3_565 H62 H52 H42 94.46(44) 3_565 1_555 1_555 H62 H52 H62 102.3(11) 3_565 1_555 1_555 H62 H52 C42 101.16(64) 3_565 1_555 1_555 H62 H52 C62 106.6(12) 3_565 1_555 1_555 H62 H52 C52 106.8(11) 3_565 1_555 1_555 C62 H52 H62 20.33(10) 3_565 1_555 3_565 C62 H52 N12 46.64(37) 3_565 1_555 3_565 C62 H52 C12 118.73(96) 3_565 1_555 1_565 C62 H52 C12 26.10(25) 3_565 1_555 3_565 C62 H52 C22 113.2(12) 3_565 1_555 1_565 C62 H52 H112 102.85(72) 3_565 1_555 3_564 C62 H52 N12 137.03(59) 3_565 1_555 1_565 C62 H52 H121 158.77(57) 3_565 1_555 1_565 C62 H52 H22 123.5(15) 3_565 1_555 1_565 C62 H52 H61 69.81(65) 3_565 1_555 3_564 C62 H52 H122 54.78(39) 3_565 1_555 3_565 C62 H52 H42 76.92(49) 3_565 1_555 1_555 C62 H52 H62 119.99(99) 3_565 1_555 1_555 C62 H52 C42 89.11(46) 3_565 1_555 1_555 C62 H52 C62 117.39(95) 3_565 1_555 1_555 C62 H52 C52 105.18(71) 3_565 1_555 1_555 C12 H62 C62 34.08(25) 1_555 1_555 1_555 C52 H62 C12 69.24(27) 1_555 1_555 1_555 C52 H62 C62 35.15(40) 1_555 1_555 1_555 H61 H62 C52 144.4(11) 1_554 1_555 1_555 H61 H62 C12 112.4(13) 1_554 1_555 1_555 H61 H62 C62 136.17(97) 1_554 1_555 1_555 H52 H62 H61 133.1(14) 1_555 1_555 1_554 H52 H62 C52 26.50(18) 1_555 1_555 1_555 H52 H62 C12 95.74(39) 1_555 1_555 1_555 H52 H62 C62 61.65(54) 1_555 1_555 1_555 H122 H62 H52 147.63(50) 1_555 1_555 1_555 H122 H62 H61 65.5(15) 1_555 1_555 1_554 H122 H62 C52 121.58(42) 1_555 1_555 1_555 H122 H62 C12 52.98(30) 1_555 1_555 1_555 H122 H62 C62 86.74(41) 1_555 1_555 1_555 H61 H62 H122 140.5(13) 3_564 1_555 1_555 H61 H62 H52 62.67(98) 3_564 1_555 1_555 H61 H62 H61 116.4(13) 3_564 1_555 1_554 H61 H62 C52 81.07(80) 3_564 1_555 1_555 H61 H62 C12 128.01(98) 3_564 1_555 1_555 H61 H62 C62 106.62(85) 3_564 1_555 1_555 N12 H62 H61 134.2(13) 1_555 1_555 3_564 N12 H62 H122 23.09(14) 1_555 1_555 1_555 N12 H62 H52 127.59(42) 1_555 1_555 1_555 N12 H62 H61 88.3(14) 1_555 1_555 1_554 N12 H62 C52 101.14(33) 1_555 1_555 1_555 N12 H62 C12 32.05(18) 1_555 1_555 1_555 N12 H62 C62 66.04(32) 1_555 1_555 1_555 H111 H62 N12 75.1(16) 3_554 1_555 1_555 H111 H62 H61 71.03(88) 3_554 1_555 3_564 H111 H62 H122 70.2(15) 3_554 1_555 1_555 H111 H62 H52 130.4(11) 3_554 1_555 1_555 H111 H62 H61 82.8(13) 3_554 1_555 1_554 H111 H62 C52 132.82(90) 3_554 1_555 1_555 H111 H62 C12 99.1(16) 3_554 1_555 1_555 H111 H62 C62 120.3(13) 3_554 1_555 1_555 C61 H62 H111 60.9(11) 1_554 1_555 3_554 C61 H62 N12 88.3(13) 1_554 1_555 1_555 C61 H62 H61 100.9(10) 1_554 1_555 3_564 C61 H62 H122 66.0(13) 1_554 1_555 1_555 C61 H62 H52 142.9(13) 1_554 1_555 1_555 C61 H62 H61 22.72(29) 1_554 1_555 1_554 C61 H62 C52 164.9(11) 1_554 1_555 1_555 C61 H62 C12 118.8(13) 1_554 1_555 1_555 C61 H62 C62 151.1(12) 1_554 1_555 1_555 H121 H62 C61 95.27(72) 1_565 1_555 1_554 H121 H62 H111 150.3(11) 1_565 1_555 3_554 H121 H62 N12 124.80(73) 1_565 1_555 1_555 H121 H62 H61 99.2(12) 1_565 1_555 3_564 H121 H62 H122 118.42(68) 1_565 1_555 1_555 H121 H62 H52 58.61(67) 1_565 1_555 1_555 H121 H62 H61 76.75(96) 1_565 1_555 1_554 H121 H62 C52 69.64(90) 1_565 1_555 1_555 H121 H62 C12 108.42(95) 1_565 1_555 1_555 H121 H62 C62 89.2(11) 1_565 1_555 1_555 H112 H62 H121 166.24(93) 3_554 1_555 1_565 H112 H62 C61 78.4(13) 3_554 1_555 1_554 H112 H62 H111 33.78(53) 3_554 1_555 3_554 H112 H62 N12 43.6(12) 3_554 1_555 1_555 H112 H62 H61 94.02(94) 3_554 1_555 3_564 H112 H62 H122 47.86(97) 3_554 1_555 1_555 H112 H62 H52 132.43(82) 3_554 1_555 1_555 H112 H62 H61 94.0(15) 3_554 1_555 1_554 H112 H62 C52 116.6(10) 3_554 1_555 1_555 H112 H62 C12 65.4(13) 3_554 1_555 1_555 H112 H62 C62 90.6(12) 3_554 1_555 1_555 H51 H62 H112 104.2(12) 1_554 1_555 3_554 H51 H62 H121 78.23(58) 1_554 1_555 1_565 H51 H62 C61 42.93(43) 1_554 1_555 1_554 H51 H62 H111 72.2(12) 1_554 1_555 3_554 H51 H62 N12 130.3(11) 1_554 1_555 1_555 H51 H62 H61 65.39(84) 1_554 1_555 3_564 H51 H62 H122 108.8(11) 1_554 1_555 1_555 H51 H62 H52 102.1(11) 1_554 1_555 1_555 H51 H62 H61 51.53(70) 1_554 1_555 1_554 H51 H62 C52 128.6(11) 1_554 1_555 1_555 H51 H62 C12 161.7(11) 1_554 1_555 1_555 H51 H62 C62 163.4(12) 1_554 1_555 1_555 H52 H62 H51 102.44(96) 3_564 1_555 1_554 H52 H62 H112 101.5(14) 3_564 1_555 3_554 H52 H62 H121 64.85(95) 3_564 1_555 1_565 H52 H62 C61 74.66(58) 3_564 1_555 1_554 H52 H62 H111 118.8(13) 3_564 1_555 3_554 H52 H62 N12 63.26(97) 3_564 1_555 1_555 H52 H62 H61 162.4(20) 3_564 1_555 3_564 H52 H62 H122 53.76(88) 3_564 1_555 1_555 H52 H62 H52 110.57(53) 3_564 1_555 1_555 H52 H62 H61 54.80(69) 3_564 1_555 1_554 H52 H62 C52 98.94(50) 3_564 1_555 1_555 H52 H62 C12 67.07(96) 3_564 1_555 1_555 H52 H62 C62 81.56(73) 3_564 1_555 1_555 N11 H62 H52 119.2(15) 3_554 1_555 3_564 N11 H62 H51 91.3(11) 3_554 1_555 1_554 N11 H62 H112 19.53(24) 3_554 1_555 3_554 N11 H62 H121 169.45(99) 3_554 1_555 1_565 N11 H62 C61 77.3(11) 3_554 1_555 1_554 N11 H62 H111 19.36(27) 3_554 1_555 3_554 N11 H62 N12 63.1(13) 3_554 1_555 1_555 N11 H62 H61 75.23(77) 3_554 1_555 3_564 N11 H62 H122 65.6(11) 3_554 1_555 1_555 N11 H62 H52 123.95(76) 3_554 1_555 1_555 N11 H62 H61 97.5(13) 3_554 1_555 1_554 N11 H62 C52 117.49(81) 3_554 1_555 1_555 N11 H62 C12 81.9(13) 3_554 1_555 1_555 N11 H62 C62 100.9(11) 3_554 1_555 1_555 C51 H62 N11 76.0(11) 1_554 1_555 3_554 C51 H62 H52 98.12(65) 1_554 1_555 3_564 C51 H62 H51 20.27(20) 1_554 1_555 1_554 C51 H62 H112 85.8(12) 1_554 1_555 3_554 C51 H62 H121 93.98(55) 1_554 1_555 1_565 C51 H62 C61 26.73(26) 1_554 1_555 1_554 C51 H62 H111 56.6(12) 1_554 1_555 3_554 C51 H62 N12 110.5(12) 1_554 1_555 1_555 C51 H62 H61 74.71(84) 1_554 1_555 3_564 C51 H62 H122 90.1(12) 1_554 1_555 1_555 C51 H62 H52 121.7(12) 1_554 1_555 1_555 C51 H62 H61 43.32(53) 1_554 1_555 1_554 C51 H62 C52 148.2(12) 1_554 1_555 1_555 C51 H62 C12 142.5(12) 1_554 1_555 1_555 C51 H62 C62 176.3(13) 1_554 1_555 1_555 H112 H62 C51 63.03(84) 3_564 1_555 1_554 H112 H62 N11 116.7(13) 3_564 1_555 3_554 H112 H62 H52 112.8(13) 3_564 1_555 3_564 H112 H62 H51 42.98(74) 3_564 1_555 1_554 H112 H62 H112 135.7(13) 3_564 1_555 3_554 H112 H62 H121 54.39(60) 3_564 1_555 1_565 H112 H62 C61 84.4(10) 3_564 1_555 1_554 H112 H62 H111 102.8(15) 3_564 1_555 3_554 H112 H62 N12 172.53(93) 3_564 1_555 1_555 H112 H62 H61 49.7(11) 3_564 1_555 3_564 H112 H62 H122 149.45(93) 3_564 1_555 1_555 H112 H62 H52 59.27(95) 3_564 1_555 1_555 H112 H62 H61 84.3(13) 3_564 1_555 1_554 H112 H62 C52 85.59(97) 3_564 1_555 1_555 H112 H62 C12 154.1(10) 3_564 1_555 1_555 H112 H62 C62 120.5(11) 3_564 1_555 1_555 data_Aniline_II_0_84GPa _database_code_depnum_ccdc_archive 'CCDC 893034' #TrackingRef 'aniiline.cif' _chemical_name_mineral aniline_2 _cell_length_a 8.16828(57) _cell_length_b 5.68848(63) _cell_length_c 20.9418(19) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 973.06(15) _symmetry_space_group_name_H-M Pna21 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z ' '-x+1/2, y+1/2, z+1/2 ' '-x, -y, z+1/2 ' 'x+1/2, -y+1/2, z ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv N11 N 0 0.4447(11) 0.2414(10) 0.92633(24) 1 4.69(43) C11 C 0 0.53340(66) 0.39589(67) 0.88871(13) 1 4.69(43) C21 C 0 0.58924(69) 0.32959(92) 0.82831(22) 1 4.69(43) C31 C 0 0.68961(50) 0.47513(54) 0.793543(93) 1 4.69(43) C41 C 0 0.73826(42) 0.69104(38) 0.81723 1 4.69(43) C51 C 0 0.68346(50) 0.75791(54) 0.877013(93) 1 4.69(43) C61 C 0 0.58305(69) 0.61417(92) 0.91231(22) 1 4.69(43) H111 D 0 0.3895(18) 0.1073(22) 0.90229(58) 1 7.03(65) H112 D 0 0.3726(18) 0.3182(22) 0.96011(59) 1 7.03(65) H21 D 0 0.5518(11) 0.1608(18) 0.80939(47) 1 5.62(52) H31 D 0 0.73023(81) 0.4172(17) 0.74691(47) 1 5.62(52) H41 D 0 0.81737(55) 0.80502(62) 0.78963(12) 1 5.62(52) H51 D 0 0.71916(81) 0.9258(17) 0.89701(47) 1 5.62(52) H61 D 0 0.5407(11) 0.6679(18) 0.95907(48) 1 5.62(52) N12 N 0 0.2892(11) 0.7851(11) 0.54328(26) 1 4.92(44) C12 C 0 0.20523(70) 0.62514(67) 0.58084(18) 1 4.92(44) C22 C 0 0.15381(71) 0.68436(93) 0.64237(25) 1 4.92(44) C32 C 0 0.05776(51) 0.53342(53) 0.67729(15) 1 4.92(44) C42 C 0 0.00921(42) 0.31892(36) 0.65265(12) 1 4.92(44) C52 C 0 0.05964(51) 0.25905(53) 0.59174(15) 1 4.92(44) C62 C 0 0.15570(71) 0.40825(92) 0.55628(25) 1 4.92(44) H121 D 0 0.3486(19) 0.9145(22) 0.56769(59) 1 7.39(66) H122 D 0 0.3700(18) 0.7132(22) 0.51173(60) 1 7.39(66) H22 D 0 0.1913(11) 0.8520(18) 0.66204(50) 1 5.91(53) H32 D 0 0.02050(81) 0.5859(17) 0.72481(50) 1 5.91(53) H42 D 0 -0.06649(55) 0.20066(62) 0.68038(17) 1 5.91(53) H52 D 0 0.02388(81) 0.0925(17) 0.57098(50) 1 5.91(53) H62 D 0 0.1946(11) 0.3599(18) 0.50864(50) 1 5.91(53) 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 N11 H112 1.0191(44) 1_555 1_555 N11 H111 1.0191(44) 1_555 1_555 N11 C11 1.3846(23) 1_555 1_555 N11 H122 2.3570(92) 1_555 3_665 N11 C61 2.4204(48) 1_555 1_555 N11 C21 2.4204(48) 1_555 1_555 N11 H61 2.6404(87) 1_555 1_555 N11 H21 2.6404(87) 1_555 1_555 N11 H51 2.712(10) 1_555 4_465 N11 H51 2.9369(86) 1_555 1_545 N11 H62 2.9960(83) 1_555 2_545 N11 N12 3.1166(79) 1_555 2_545 N11 H122 3.136(17) 1_555 2_545 C11 N11 1.3846(23) 1_555 1_555 C11 C21 1.3966(47) 1_555 1_555 C11 C61 1.3966(47) 1_555 1_555 C11 H112 2.0388(59) 1_555 1_555 C11 H111 2.0388(59) 1_555 1_555 C11 H61 2.1377(68) 1_555 1_555 C11 H21 2.1377(68) 1_555 1_555 C11 C31 2.4090(30) 1_555 1_555 C11 C51 2.4090(30) 1_555 1_555 C11 H122 2.7649(99) 1_555 3_665 C11 H51 2.7655(84) 1_555 4_465 C11 C41 2.8035(26) 1_555 1_555 C11 H111 2.923(13) 1_555 4_555 C11 H51 3.0797(52) 1_555 1_545 C21 H21 1.0827(42) 1_555 1_555 C21 C31 1.3739(20) 1_555 1_555 C21 C11 1.3966(47) 1_555 1_555 C21 H31 2.1167(56) 1_555 1_555 C21 C61 2.3911(88) 1_555 1_555 C21 C41 2.4006(26) 1_555 1_555 C21 N11 2.4204(48) 1_555 1_555 C21 H111 2.5809(84) 1_555 1_555 C21 C51 2.7512(50) 1_555 1_555 C21 H51 2.9110(56) 1_555 1_545 C21 H111 2.923(14) 1_555 4_555 C21 H41 3.1477(55) 1_555 4_465 C31 H31 1.0827(42) 1_555 1_555 C31 C21 1.3739(20) 1_555 1_555 C31 C41 1.3829(15) 1_555 1_555 C31 H21 2.1387(63) 1_555 1_555 C31 H41 2.1488(39) 1_555 1_555 C31 C51 2.3761(33) 1_555 1_555 C31 C11 2.4090(30) 1_555 1_555 C31 C61 2.7512(50) 1_555 1_555 C31 H111 2.841(10) 1_555 4_555 C31 H22 2.9242(93) 1_555 4_565 C31 H21 3.0756(53) 1_555 4_555 C31 H32 3.1262(92) 1_555 1_655 C31 H32 3.1962(78) 1_555 4_565 C41 H41 1.0827(42) 1_555 1_555 C41 C51 1.3829(15) 1_555 1_555 C41 C31 1.3829(15) 1_555 1_555 C41 H51 2.1445(56) 1_555 1_555 C41 H31 2.1445(56) 1_555 1_555 C41 C61 2.4006(26) 1_555 1_555 C41 C21 2.4006(26) 1_555 1_555 C41 H111 2.7533(72) 1_555 4_555 C41 C11 2.8035(26) 1_555 1_555 C41 H32 2.9189(68) 1_555 4_565 C41 H32 3.0689(68) 1_555 1_655 C41 H21 3.0805(55) 1_555 1_565 C51 H51 1.0827(42) 1_555 1_555 C51 C61 1.3739(20) 1_555 1_555 C51 C41 1.3829(15) 1_555 1_555 C51 H61 2.1387(63) 1_555 1_555 C51 H41 2.1488(39) 1_555 1_555 C51 C31 2.3761(33) 1_555 1_555 C51 C11 2.4090(30) 1_555 1_555 C51 H111 2.7258(73) 1_555 4_555 C51 C21 2.7512(50) 1_555 1_555 C51 H21 2.9011(55) 1_555 1_565 C51 H62 3.0065(69) 1_555 3_665 C51 H111 3.162(16) 1_555 1_565 C61 H61 1.0827(42) 1_555 1_555 C61 C51 1.3739(20) 1_555 1_555 C61 C11 1.3966(47) 1_555 1_555 C61 H51 2.1167(56) 1_555 1_555 C61 C21 2.3911(88) 1_555 1_555 C61 C41 2.4006(26) 1_555 1_555 C61 N11 2.4204(48) 1_555 1_555 C61 H112 2.6062(86) 1_555 1_555 C61 H62 2.7184(89) 1_555 3_665 C61 C31 2.7512(50) 1_555 1_555 C61 H111 2.8104(96) 1_555 4_555 C61 H122 2.820(11) 1_555 3_665 C61 H51 2.9982(43) 1_555 4_465 H111 N11 1.0191(44) 1_555 1_555 H111 H112 1.710(12) 1_555 1_555 H111 C11 2.0388(59) 1_555 1_555 H111 H21 2.374(12) 1_555 1_555 H111 C21 2.5809(84) 1_555 1_555 H111 H62 2.723(11) 1_555 2_545 H111 C51 2.7258(73) 1_555 4_455 H111 C41 2.7533(72) 1_555 4_455 H111 C61 2.8104(96) 1_555 4_455 H111 C31 2.841(10) 1_555 4_455 H111 H51 2.886(17) 1_555 1_545 H111 C11 2.923(13) 1_555 4_455 H111 C21 2.923(14) 1_555 4_455 H111 H51 3.000(17) 1_555 4_465 H111 H61 3.031(15) 1_555 1_545 H111 C51 3.162(16) 1_555 1_545 H111 H122 3.179(19) 1_555 2_545 H111 H122 3.186(12) 1_555 3_665 H112 N11 1.0191(44) 1_555 1_555 H112 H111 1.710(12) 1_555 1_555 H112 C11 2.0388(59) 1_555 1_555 H112 N12 2.1947(97) 1_555 2_545 H112 H51 2.332(16) 1_555 4_465 H112 H122 2.335(18) 1_555 2_545 H112 H122 2.371(18) 1_555 3_665 H112 H61 2.418(13) 1_555 1_555 H112 C61 2.6062(86) 1_555 1_555 H112 C12 2.829(11) 1_555 2_545 H112 H62 2.851(13) 1_555 2_545 H112 H52 2.922(14) 1_555 2_555 H112 H121 2.940(11) 1_555 2_545 H112 C62 3.090(12) 1_555 2_545 H21 C21 1.0827(42) 1_555 1_555 H21 C11 2.1377(68) 1_555 1_555 H21 C31 2.1387(63) 1_555 1_555 H21 H32 2.274(11) 1_555 4_555 H21 H111 2.374(12) 1_555 1_555 H21 H31 2.442(11) 1_555 1_555 H21 N11 2.6404(87) 1_555 1_555 H21 H51 2.6505(72) 1_555 1_545 H21 C51 2.9011(55) 1_555 1_545 H21 H31 2.9676(49) 1_555 4_455 H21 H42 2.9753(71) 1_555 4_555 H21 C32 2.9792(93) 1_555 4_555 H21 H41 2.9958(77) 1_555 1_545 H21 C31 3.0756(53) 1_555 4_455 H21 C41 3.0805(55) 1_555 1_545 H31 C31 1.0827(42) 1_555 1_555 H31 C21 2.1167(56) 1_555 1_555 H31 C41 2.1445(56) 1_555 1_555 H31 H22 2.232(11) 1_555 4_565 H31 H21 2.442(11) 1_555 1_555 H31 H41 2.4845(80) 1_555 1_555 H31 H42 2.4932(73) 1_555 1_655 H31 H32 2.599(15) 1_555 1_655 H31 H42 2.8750(71) 1_555 4_555 H31 H21 2.9676(49) 1_555 4_555 H31 C42 2.9935(68) 1_555 4_555 H31 C42 3.0663(68) 1_555 1_655 H31 C32 3.1177(93) 1_555 1_655 H41 C41 1.0827(42) 1_555 1_555 H41 C51 2.1488(39) 1_555 1_555 H41 C31 2.1488(39) 1_555 1_555 H41 H32 2.4797(73) 1_555 1_655 H41 H51 2.4845(80) 1_555 1_555 H41 H31 2.4845(80) 1_555 1_555 H41 H32 2.8474(72) 1_555 4_565 H41 H21 2.9958(77) 1_555 1_565 H41 H22 2.9995(73) 1_555 4_565 H41 C21 3.1477(55) 1_555 4_565 H51 C51 1.0827(42) 1_555 1_555 H51 C61 2.1167(56) 1_555 1_555 H51 C41 2.1445(56) 1_555 1_555 H51 H112 2.332(16) 1_555 4_565 H51 H61 2.442(11) 1_555 1_555 H51 H41 2.4845(80) 1_555 1_555 H51 H21 2.6505(72) 1_555 1_565 H51 N11 2.712(10) 1_555 4_565 H51 C11 2.7655(84) 1_555 4_565 H51 H111 2.886(17) 1_555 1_565 H51 C21 2.9110(56) 1_555 1_565 H51 H62 2.9328(81) 1_555 3_665 H51 N11 2.9369(86) 1_555 1_565 H51 H61 2.9786(54) 1_555 4_565 H51 C61 2.9982(43) 1_555 4_565 H51 H111 3.000(17) 1_555 4_565 H51 C11 3.0797(52) 1_555 1_565 H61 C61 1.0827(42) 1_555 1_555 H61 C11 2.1377(68) 1_555 1_555 H61 C51 2.1387(63) 1_555 1_555 H61 H62 2.4033(89) 1_555 3_665 H61 H112 2.418(13) 1_555 1_555 H61 H52 2.4402(93) 1_555 2_555 H61 H51 2.442(11) 1_555 1_555 H61 H62 2.443(11) 1_555 2_555 H61 H122 2.539(12) 1_555 3_665 H61 N11 2.6404(87) 1_555 1_555 H61 C62 2.9304(96) 1_555 2_555 H61 C52 2.9429(70) 1_555 2_555 H61 H51 2.9786(54) 1_555 4_465 H61 H111 3.031(15) 1_555 1_565 N12 H122 1.0191(44) 1_555 1_555 N12 H121 1.0191(44) 1_555 1_555 N12 C12 1.3846(23) 1_555 1_555 N12 H112 2.1947(97) 1_555 2_554 N12 C62 2.4204(48) 1_555 1_555 N12 C22 2.4204(48) 1_555 1_555 N12 H62 2.6404(87) 1_555 1_555 N12 H22 2.6404(87) 1_555 1_555 N12 H52 2.8449(90) 1_555 1_565 N12 H52 2.936(11) 1_555 4_555 N12 N11 3.1166(79) 1_555 2_554 C12 N12 1.3846(23) 1_555 1_555 C12 C22 1.3966(47) 1_555 1_555 C12 C62 1.3966(47) 1_555 1_555 C12 H122 2.0388(59) 1_555 1_555 C12 H121 2.0388(59) 1_555 1_555 C12 H22 2.1377(68) 1_555 1_555 C12 H62 2.1377(68) 1_555 1_555 C12 C32 2.4090(30) 1_555 1_555 C12 C52 2.4090(30) 1_555 1_555 C12 C42 2.8035(26) 1_555 1_555 C12 H112 2.829(11) 1_555 2_554 C12 H52 2.8896(89) 1_555 4_555 C12 H121 2.934(14) 1_555 4_465 C12 H52 3.0504(55) 1_555 1_565 C22 H22 1.0827(42) 1_555 1_555 C22 C32 1.3739(20) 1_555 1_555 C22 C12 1.3966(47) 1_555 1_555 C22 H32 2.1167(56) 1_555 1_555 C22 C62 2.3911(88) 1_555 1_555 C22 C42 2.4006(26) 1_555 1_555 C22 N12 2.4204(48) 1_555 1_555 C22 H121 2.5869(84) 1_555 1_555 C22 C52 2.7512(50) 1_555 1_555 C22 H52 2.9584(60) 1_555 1_565 C22 H121 2.996(14) 1_555 4_465 C32 H32 1.0827(42) 1_555 1_555 C32 C22 1.3739(20) 1_555 1_555 C32 C42 1.3829(15) 1_555 1_555 C32 H22 2.1387(63) 1_555 1_555 C32 H42 2.1488(39) 1_555 1_555 C32 C52 2.3761(33) 1_555 1_555 C32 C12 2.4090(30) 1_555 1_555 C32 C62 2.7512(50) 1_555 1_555 C32 H121 2.876(10) 1_555 4_465 C32 H21 2.9792(93) 1_555 4_455 C32 H22 3.0805(52) 1_555 4_465 C32 H31 3.1177(93) 1_555 1_455 C42 H42 1.0827(42) 1_555 1_555 C42 C52 1.3829(15) 1_555 1_555 C42 C32 1.3829(15) 1_555 1_555 C42 H32 2.1445(56) 1_555 1_555 C42 H52 2.1445(56) 1_555 1_555 C42 C62 2.4006(26) 1_555 1_555 C42 C22 2.4006(26) 1_555 1_555 C42 H121 2.6807(70) 1_555 4_465 C42 C12 2.8035(26) 1_555 1_555 C42 H31 2.9935(68) 1_555 4_455 C42 H22 3.0506(57) 1_555 1_545 C42 H31 3.0663(68) 1_555 1_455 C52 H52 1.0827(42) 1_555 1_555 C52 C62 1.3739(20) 1_555 1_555 C52 C42 1.3829(15) 1_555 1_555 C52 H62 2.1387(63) 1_555 1_555 C52 H42 2.1488(39) 1_555 1_555 C52 C32 2.3761(33) 1_555 1_555 C52 C12 2.4090(30) 1_555 1_555 C52 H121 2.5833(72) 1_555 4_465 C52 C22 2.7512(50) 1_555 1_555 C52 H61 2.9429(70) 1_555 2_544 C52 H22 2.9472(60) 1_555 1_545 C52 H121 3.110(16) 1_555 1_545 C62 H62 1.0827(42) 1_555 1_555 C62 C52 1.3739(20) 1_555 1_555 C62 C12 1.3966(47) 1_555 1_555 C62 H52 2.1167(56) 1_555 1_555 C62 C22 2.3911(88) 1_555 1_555 C62 C42 2.4006(26) 1_555 1_555 C62 N12 2.4204(48) 1_555 1_555 C62 H122 2.6350(87) 1_555 1_555 C62 H121 2.714(10) 1_555 4_465 C62 C32 2.7512(50) 1_555 1_555 C62 H61 2.9304(96) 1_555 2_544 C62 H52 3.0230(46) 1_555 4_555 C62 H112 3.090(12) 1_555 2_554 H121 N12 1.0191(44) 1_555 1_555 H121 H122 1.648(13) 1_555 1_555 H121 C12 2.0388(59) 1_555 1_555 H121 H22 2.384(12) 1_555 1_555 H121 C52 2.5833(72) 1_555 4_565 H121 C22 2.5869(84) 1_555 1_555 H121 C42 2.6807(70) 1_555 4_565 H121 C62 2.714(10) 1_555 4_565 H121 H52 2.840(17) 1_555 1_565 H121 C32 2.876(10) 1_555 4_565 H121 C12 2.934(14) 1_555 4_565 H121 H112 2.940(11) 1_555 2_554 H121 C22 2.996(14) 1_555 4_565 H121 H62 3.088(15) 1_555 1_565 H121 C52 3.110(16) 1_555 1_565 H121 H52 3.1496(87) 1_555 4_565 H122 N12 1.0191(44) 1_555 1_555 H122 H121 1.648(13) 1_555 1_555 H122 C12 2.0388(59) 1_555 1_555 H122 H112 2.335(18) 1_555 2_554 H122 N11 2.3570(92) 1_555 3_664 H122 H112 2.371(18) 1_555 3_664 H122 H62 2.469(13) 1_555 1_555 H122 H52 2.479(15) 1_555 4_555 H122 H61 2.539(12) 1_555 3_664 H122 C62 2.6350(87) 1_555 1_555 H122 C11 2.7649(99) 1_555 3_664 H122 C61 2.820(11) 1_555 3_664 H122 N11 3.136(17) 1_555 2_554 H122 H111 3.179(19) 1_555 2_554 H122 H111 3.186(12) 1_555 3_664 H22 C22 1.0827(42) 1_555 1_555 H22 C12 2.1377(68) 1_555 1_555 H22 C32 2.1387(63) 1_555 1_555 H22 H31 2.232(11) 1_555 4_465 H22 H121 2.384(12) 1_555 1_555 H22 H32 2.442(11) 1_555 1_555 H22 N12 2.6404(87) 1_555 1_555 H22 H52 2.7164(79) 1_555 1_565 H22 H42 2.9180(80) 1_555 1_565 H22 C31 2.9242(93) 1_555 4_465 H22 C52 2.9472(60) 1_555 1_565 H22 H41 2.9995(73) 1_555 4_465 H22 H32 3.0142(50) 1_555 4_565 H22 C42 3.0506(57) 1_555 1_565 H22 C32 3.0805(52) 1_555 4_565 H32 C32 1.0827(42) 1_555 1_555 H32 C22 2.1167(56) 1_555 1_555 H32 C42 2.1445(56) 1_555 1_555 H32 H21 2.274(11) 1_555 4_455 H32 H22 2.442(11) 1_555 1_555 H32 H41 2.4797(73) 1_555 1_455 H32 H42 2.4845(80) 1_555 1_555 H32 H31 2.599(15) 1_555 1_455 H32 H41 2.8474(72) 1_555 4_465 H32 C41 2.9189(68) 1_555 4_465 H32 H22 3.0142(50) 1_555 4_465 H32 C41 3.0689(68) 1_555 1_455 H32 C31 3.1262(92) 1_555 1_455 H32 C31 3.1962(78) 1_555 4_465 H42 C42 1.0827(42) 1_555 1_555 H42 C52 2.1488(39) 1_555 1_555 H42 C32 2.1488(39) 1_555 1_555 H42 H52 2.4845(80) 1_555 1_555 H42 H32 2.4845(80) 1_555 1_555 H42 H31 2.4932(73) 1_555 1_455 H42 H31 2.8750(71) 1_555 4_455 H42 H22 2.9180(80) 1_555 1_545 H42 H21 2.9753(71) 1_555 4_455 H52 C52 1.0827(42) 1_555 1_555 H52 C62 2.1167(56) 1_555 1_555 H52 C42 2.1445(56) 1_555 1_555 H52 H61 2.4402(93) 1_555 2_544 H52 H62 2.442(11) 1_555 1_555 H52 H122 2.479(15) 1_555 4_455 H52 H42 2.4845(80) 1_555 1_555 H52 H22 2.7164(79) 1_555 1_545 H52 H121 2.840(17) 1_555 1_545 H52 N12 2.8449(90) 1_555 1_545 H52 C12 2.8896(89) 1_555 4_455 H52 H112 2.922(14) 1_555 2_544 H52 N12 2.936(11) 1_555 4_455 H52 C22 2.9584(60) 1_555 1_545 H52 H62 3.0018(51) 1_555 4_455 H52 C62 3.0230(46) 1_555 4_455 H52 C12 3.0504(55) 1_555 1_545 H52 H121 3.1496(87) 1_555 4_465 H62 C62 1.0827(42) 1_555 1_555 H62 C12 2.1377(68) 1_555 1_555 H62 C52 2.1387(63) 1_555 1_555 H62 H61 2.4033(89) 1_555 3_664 H62 H52 2.442(11) 1_555 1_555 H62 H61 2.443(11) 1_555 2_544 H62 H122 2.469(13) 1_555 1_555 H62 N12 2.6404(87) 1_555 1_555 H62 C61 2.7184(89) 1_555 3_664 H62 H111 2.723(11) 1_555 2_554 H62 H112 2.851(13) 1_555 2_554 H62 H51 2.9328(81) 1_555 3_664 H62 N11 2.9960(83) 1_555 2_554 H62 H52 3.0018(51) 1_555 4_555 H62 C51 3.0065(69) 1_555 3_664 H62 H121 3.088(15) 1_555 1_545 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 H111 N11 H112 114.05(96) 1_555 1_555 1_555 C11 N11 H111 115.18(40) 1_555 1_555 1_555 C11 N11 H112 115.18(40) 1_555 1_555 1_555 H122 N11 C11 91.51(34) 3_665 1_555 1_555 H122 N11 H111 137.81(80) 3_665 1_555 1_555 H122 N11 H112 78.32(89) 3_665 1_555 1_555 C61 N11 H122 72.33(28) 1_555 1_555 3_665 C61 N11 C11 29.648(93) 1_555 1_555 1_555 C61 N11 H111 143.36(43) 1_555 1_555 1_555 C61 N11 H112 88.78(44) 1_555 1_555 1_555 C21 N11 C61 59.20(19) 1_555 1_555 1_555 C21 N11 H122 107.92(40) 1_555 1_555 3_665 C21 N11 C11 29.648(93) 1_555 1_555 1_555 C21 N11 H111 87.26(42) 1_555 1_555 1_555 C21 N11 H112 141.44(46) 1_555 1_555 1_555 H61 N11 C21 83.40(22) 1_555 1_555 1_555 H61 N11 C61 24.21(12) 1_555 1_555 1_555 H61 N11 H122 60.77(29) 1_555 1_555 3_665 H61 N11 C11 53.79(15) 1_555 1_555 1_555 H61 N11 H111 161.34(66) 1_555 1_555 1_555 H61 N11 H112 66.28(50) 1_555 1_555 1_555 H21 N11 H61 107.58(30) 1_555 1_555 1_555 H21 N11 C21 24.21(12) 1_555 1_555 1_555 H21 N11 C61 83.40(22) 1_555 1_555 1_555 H21 N11 H122 120.68(43) 1_555 1_555 3_665 H21 N11 C11 53.79(15) 1_555 1_555 1_555 H21 N11 H111 63.81(46) 1_555 1_555 1_555 H21 N11 H112 155.47(70) 1_555 1_555 1_555 H51 N11 H21 97.83(23) 4_465 1_555 1_555 H51 N11 H61 67.61(14) 4_465 1_555 1_555 H51 N11 C21 89.70(21) 4_465 1_555 1_555 H51 N11 C61 71.22(15) 4_465 1_555 1_555 H51 N11 H122 122.10(41) 4_465 1_555 3_665 H51 N11 C11 77.50(21) 4_465 1_555 1_555 H51 N11 H111 96.31(80) 4_465 1_555 1_555 H51 N11 H112 57.67(73) 4_465 1_555 1_555 H51 N11 H51 153.89(35) 1_545 1_555 4_465 H51 N11 H21 56.45(18) 1_545 1_555 1_555 H51 N11 H61 112.92(19) 1_545 1_555 1_555 H51 N11 C21 64.99(21) 1_545 1_555 1_555 H51 N11 C61 98.86(20) 1_545 1_555 1_555 H51 N11 H122 74.67(39) 1_545 1_555 3_665 H51 N11 C11 82.53(22) 1_545 1_555 1_555 H51 N11 H111 77.12(79) 1_545 1_555 1_555 H51 N11 H112 148.04(75) 1_545 1_555 1_555 H62 N11 H51 88.13(25) 2_545 1_555 1_545 H62 N11 H51 112.19(30) 2_545 1_555 4_465 H62 N11 H21 122.26(28) 2_545 1_555 1_555 H62 N11 H61 128.97(23) 2_545 1_555 1_555 H62 N11 C21 145.42(28) 2_545 1_555 1_555 H62 N11 C61 151.84(19) 2_545 1_555 1_555 H62 N11 H122 83.50(35) 2_545 1_555 3_665 H62 N11 C11 170.31(34) 2_545 1_555 1_555 H62 N11 H111 64.78(47) 2_545 1_555 1_555 H62 N11 H112 72.01(50) 2_545 1_555 1_555 N12 N11 H62 51.14(21) 2_545 1_555 2_545 N12 N11 H51 132.92(26) 2_545 1_555 1_545 N12 N11 H51 72.88(25) 2_545 1_555 4_465 N12 N11 H21 161.04(23) 2_545 1_555 1_555 N12 N11 H61 84.54(24) 2_545 1_555 1_555 N12 N11 C21 161.63(27) 2_545 1_555 1_555 N12 N11 C61 108.17(23) 2_545 1_555 1_555 N12 N11 H122 77.80(41) 2_545 1_555 3_665 N12 N11 C11 135.83(24) 2_545 1_555 1_555 N12 N11 H111 100.15(54) 2_545 1_555 1_555 N12 N11 H112 20.88(48) 2_545 1_555 1_555 H122 N11 N12 18.76(11) 2_545 1_555 2_545 H122 N11 H62 47.41(26) 2_545 1_555 2_545 H122 N11 H51 135.53(30) 2_545 1_555 1_545 H122 N11 H51 66.91(27) 2_545 1_555 4_465 H122 N11 H21 142.33(25) 2_545 1_555 1_555 H122 N11 H61 98.18(28) 2_545 1_555 1_555 H122 N11 C21 153.39(28) 2_545 1_555 1_555 H122 N11 C61 119.78(28) 2_545 1_555 1_555 H122 N11 H122 95.69(48) 2_545 1_555 3_665 H122 N11 C11 141.79(33) 2_545 1_555 1_555 H122 N11 H111 83.13(57) 2_545 1_555 1_555 H122 N11 H112 31.99(61) 2_545 1_555 1_555 C21 C11 N11 120.98(14) 1_555 1_555 1_555 C61 C11 C21 117.76(28) 1_555 1_555 1_555 C61 C11 N11 120.98(14) 1_555 1_555 1_555 H112 C11 C61 96.91(27) 1_555 1_555 1_555 H112 C11 C21 144.71(31) 1_555 1_555 1_555 H112 C11 N11 26.89(18) 1_555 1_555 1_555 H111 C11 H112 49.59(40) 1_555 1_555 1_555 H111 C11 C61 146.49(27) 1_555 1_555 1_555 H111 C11 C21 95.58(25) 1_555 1_555 1_555 H111 C11 N11 26.89(18) 1_555 1_555 1_555 H61 C11 H111 120.18(31) 1_555 1_555 1_555 H61 C11 H112 70.70(33) 1_555 1_555 1_555 H61 C11 C61 26.40(18) 1_555 1_555 1_555 H61 C11 C21 144.16(33) 1_555 1_555 1_555 H61 C11 N11 94.70(23) 1_555 1_555 1_555 H21 C11 H61 170.57(45) 1_555 1_555 1_555 H21 C11 H111 69.23(31) 1_555 1_555 1_555 H21 C11 H112 118.65(34) 1_555 1_555 1_555 H21 C11 C61 144.16(33) 1_555 1_555 1_555 H21 C11 C21 26.40(18) 1_555 1_555 1_555 H21 C11 N11 94.70(23) 1_555 1_555 1_555 C31 C11 H21 55.73(21) 1_555 1_555 1_555 C31 C11 H61 114.83(25) 1_555 1_555 1_555 C31 C11 H111 124.85(21) 1_555 1_555 1_555 C31 C11 H112 171.34(41) 1_555 1_555 1_555 C31 C11 C61 88.43(18) 1_555 1_555 1_555 C31 C11 C21 29.33(11) 1_555 1_555 1_555 C31 C11 N11 150.051(51) 1_555 1_555 1_555 C51 C11 C31 59.099(94) 1_555 1_555 1_555 C51 C11 H21 114.83(25) 1_555 1_555 1_555 C51 C11 H61 55.73(21) 1_555 1_555 1_555 C51 C11 H111 174.72(37) 1_555 1_555 1_555 C51 C11 H112 126.00(22) 1_555 1_555 1_555 C51 C11 C61 29.33(11) 1_555 1_555 1_555 C51 C11 C21 88.43(18) 1_555 1_555 1_555 C51 C11 N11 150.051(51) 1_555 1_555 1_555 H122 C11 C51 98.13(23) 3_665 1_555 1_555 H122 C11 C31 131.43(35) 3_665 1_555 1_555 H122 C11 H21 124.31(31) 3_665 1_555 1_555 H122 C11 H61 60.81(30) 3_665 1_555 1_555 H122 C11 H111 81.60(40) 3_665 1_555 1_555 H122 C11 H112 56.76(52) 3_665 1_555 1_555 H122 C11 C61 77.70(24) 3_665 1_555 1_555 H122 C11 C21 133.64(36) 3_665 1_555 1_555 H122 C11 N11 58.45(27) 3_665 1_555 1_555 H51 C11 H122 106.78(38) 4_465 1_555 3_665 H51 C11 C51 99.50(18) 4_465 1_555 1_555 H51 C11 C31 118.36(19) 4_465 1_555 1_555 H51 C11 H21 110.09(19) 4_465 1_555 1_555 H51 C11 H61 73.56(19) 4_465 1_555 1_555 H51 C11 H111 75.61(46) 4_465 1_555 1_555 H51 C11 H112 55.63(42) 4_465 1_555 1_555 H51 C11 C61 85.47(18) 4_465 1_555 1_555 H51 C11 C21 117.33(18) 4_465 1_555 1_555 H51 C11 N11 73.24(23) 4_465 1_555 1_555 C41 C11 H51 111.58(19) 1_555 1_555 4_465 C41 C11 H122 117.49(28) 1_555 1_555 3_665 C41 C11 C51 29.549(47) 1_555 1_555 1_555 C41 C11 C31 29.549(47) 1_555 1_555 1_555 C41 C11 H21 85.28(23) 1_555 1_555 1_555 C41 C11 H61 85.28(23) 1_555 1_555 1_555 C41 C11 H111 154.26(19) 1_555 1_555 1_555 C41 C11 H112 154.96(19) 1_555 1_555 1_555 C41 C11 C61 58.88(14) 1_555 1_555 1_555 C41 C11 C21 58.88(14) 1_555 1_555 1_555 C41 C11 N11 174.88(14) 1_555 1_555 1_555 H111 C11 C41 57.43(19) 4_555 1_555 1_555 H111 C11 H51 156.91(35) 4_555 1_555 4_465 H111 C11 H122 67.90(36) 4_555 1_555 3_665 H111 C11 C51 60.59(23) 4_555 1_555 1_555 H111 C11 C31 63.55(17) 4_555 1_555 1_555 H111 C11 H21 90.11(25) 4_555 1_555 1_555 H111 C11 H61 84.81(27) 4_555 1_555 1_555 H111 C11 H111 123.72(31) 4_555 1_555 1_555 H111 C11 H112 124.64(47) 4_555 1_555 1_555 H111 C11 C61 71.47(26) 4_555 1_555 1_555 H111 C11 C21 76.20(20) 4_555 1_555 1_555 H111 C11 N11 117.46(23) 4_555 1_555 1_555 H51 C11 H111 59.92(32) 1_545 1_555 4_555 H51 C11 C41 104.84(21) 1_545 1_555 1_555 H51 C11 H51 140.56(19) 1_545 1_555 4_465 H51 C11 H122 67.16(31) 1_545 1_555 3_665 H51 C11 C51 119.83(19) 1_545 1_555 1_555 H51 C11 C31 87.03(21) 1_545 1_555 1_555 H51 C11 H21 57.74(16) 1_545 1_555 1_555 H51 C11 H61 125.17(16) 1_545 1_555 1_555 H51 C11 H111 64.98(46) 1_545 1_555 1_555 H51 C11 H112 95.03(34) 1_545 1_555 1_555 H51 C11 C61 127.52(15) 1_545 1_555 1_555 H51 C11 C21 69.86(20) 1_545 1_555 1_555 H51 C11 N11 71.00(24) 1_545 1_555 1_555 C31 C21 H21 120.60(45) 1_555 1_555 1_555 C11 C21 C31 120.81(24) 1_555 1_555 1_555 C11 C21 H21 118.59(38) 1_555 1_555 1_555 H31 C21 C11 147.51(30) 1_555 1_555 1_555 H31 C21 C31 26.71(17) 1_555 1_555 1_555 H31 C21 H21 93.90(48) 1_555 1_555 1_555 C61 C21 H31 116.39(23) 1_555 1_555 1_555 C61 C21 C11 31.12(14) 1_555 1_555 1_555 C61 C21 C31 89.69(15) 1_555 1_555 1_555 C61 C21 H21 149.71(40) 1_555 1_555 1_555 C41 C21 C61 60.13(11) 1_555 1_555 1_555 C41 C21 H31 56.26(19) 1_555 1_555 1_555 C41 C21 C11 91.25(19) 1_555 1_555 1_555 C41 C21 C31 29.555(67) 1_555 1_555 1_555 C41 C21 H21 150.16(42) 1_555 1_555 1_555 N11 C21 C41 120.44(18) 1_555 1_555 1_555 N11 C21 C61 60.399(93) 1_555 1_555 1_555 N11 C21 H31 175.63(22) 1_555 1_555 1_555 N11 C21 C11 29.369(92) 1_555 1_555 1_555 N11 C21 C31 149.91(22) 1_555 1_555 1_555 N11 C21 H21 89.35(39) 1_555 1_555 1_555 H111 C21 N11 23.23(12) 1_555 1_555 1_555 H111 C21 C41 142.95(25) 1_555 1_555 1_555 H111 C21 C61 82.91(17) 1_555 1_555 1_555 H111 C21 H31 160.52(31) 1_555 1_555 1_555 H111 C21 C11 51.83(18) 1_555 1_555 1_555 H111 C21 C31 172.11(31) 1_555 1_555 1_555 H111 C21 H21 66.83(42) 1_555 1_555 1_555 C51 C21 H111 112.83(21) 1_555 1_555 1_555 C51 C21 N11 90.31(14) 1_555 1_555 1_555 C51 C21 C41 30.172(53) 1_555 1_555 1_555 C51 C21 C61 29.958(69) 1_555 1_555 1_555 C51 C21 H31 86.43(21) 1_555 1_555 1_555 C51 C21 C11 61.08(16) 1_555 1_555 1_555 C51 C21 C31 59.73(11) 1_555 1_555 1_555 C51 C21 H21 179.67(41) 1_555 1_555 1_555 H51 C21 C51 114.43(17) 1_545 1_555 1_555 H51 C21 H111 63.07(40) 1_545 1_555 1_555 H51 C21 N11 66.11(23) 1_545 1_555 1_555 H51 C21 C41 122.60(18) 1_545 1_555 1_555 H51 C21 C61 100.27(17) 1_545 1_555 1_555 H51 C21 H31 112.68(19) 1_545 1_555 1_555 H51 C21 C11 83.36(21) 1_545 1_555 1_555 H51 C21 C31 121.33(21) 1_545 1_555 1_555 H51 C21 H21 65.43(21) 1_545 1_555 1_555 H111 C21 H51 61.90(29) 4_555 1_555 1_545 H111 C21 C51 57.32(21) 4_555 1_555 1_555 H111 C21 H111 105.80(26) 4_555 1_555 1_555 H111 C21 N11 89.14(23) 4_555 1_555 1_555 H111 C21 C41 61.36(23) 4_555 1_555 1_555 H111 C21 C61 62.92(20) 4_555 1_555 1_555 H111 C21 H31 86.64(23) 4_555 1_555 1_555 H111 C21 C11 76.16(21) 4_555 1_555 1_555 H111 C21 C31 72.92(22) 4_555 1_555 1_555 H111 C21 H21 122.69(21) 4_555 1_555 1_555 H41 C21 H111 130.34(27) 4_465 1_555 4_555 H41 C21 H51 154.89(23) 4_465 1_555 1_545 H41 C21 C51 73.02(12) 4_465 1_555 1_555 H41 C21 H111 91.83(35) 4_465 1_555 1_555 H41 C21 N11 90.63(16) 4_465 1_555 1_555 H41 C21 C41 76.544(89) 4_465 1_555 1_555 H41 C21 C61 74.18(15) 4_465 1_555 1_555 H41 C21 H31 91.21(12) 4_465 1_555 1_555 H41 C21 C11 79.88(16) 4_465 1_555 1_555 H41 C21 C31 83.498(91) 4_465 1_555 1_555 H41 C21 H21 106.97(12) 4_465 1_555 1_555 C21 C31 H31 118.53(38) 1_555 1_555 1_555 C41 C31 C21 121.10(12) 1_555 1_555 1_555 C41 C31 H31 120.37(39) 1_555 1_555 1_555 H21 C31 C41 146.93(19) 1_555 1_555 1_555 H21 C31 C21 25.83(20) 1_555 1_555 1_555 H21 C31 H31 92.70(43) 1_555 1_555 1_555 H41 C31 H21 172.58(22) 1_555 1_555 1_555 H41 C31 C41 25.648(74) 1_555 1_555 1_555 H41 C31 C21 146.75(14) 1_555 1_555 1_555 H41 C31 H31 94.72(40) 1_555 1_555 1_555 C51 C31 H41 56.435(81) 1_555 1_555 1_555 C51 C31 H21 116.14(20) 1_555 1_555 1_555 C51 C31 C41 30.788(84) 1_555 1_555 1_555 C51 C31 C21 90.31(15) 1_555 1_555 1_555 C51 C31 H31 151.16(40) 1_555 1_555 1_555 C11 C31 C51 60.451(47) 1_555 1_555 1_555 C11 C31 H41 116.89(10) 1_555 1_555 1_555 C11 C31 H21 55.69(19) 1_555 1_555 1_555 C11 C31 C41 91.238(97) 1_555 1_555 1_555 C11 C31 C21 29.86(15) 1_555 1_555 1_555 C11 C31 H31 148.39(41) 1_555 1_555 1_555 C61 C31 C11 30.493(70) 1_555 1_555 1_555 C61 C31 C51 29.958(69) 1_555 1_555 1_555 C61 C31 H41 86.39(13) 1_555 1_555 1_555 C61 C31 H21 86.19(23) 1_555 1_555 1_555 C61 C31 C41 60.75(14) 1_555 1_555 1_555 C61 C31 C21 60.36(20) 1_555 1_555 1_555 C61 C31 H31 178.88(43) 1_555 1_555 1_555 H111 C31 C61 60.31(19) 4_555 1_555 1_555 H111 C31 C11 67.07(25) 4_555 1_555 1_555 H111 C31 C51 62.24(20) 4_555 1_555 1_555 H111 C31 H41 84.01(29) 4_555 1_555 1_555 H111 C31 H21 92.30(31) 4_555 1_555 1_555 H111 C31 C41 72.18(26) 4_555 1_555 1_555 H111 C31 C21 79.56(29) 4_555 1_555 1_555 H111 C31 H31 119.78(19) 4_555 1_555 1_555 H22 C31 H111 143.87(32) 4_565 1_555 4_555 H22 C31 C61 139.12(19) 4_565 1_555 1_555 H22 C31 C11 147.61(20) 4_565 1_555 1_555 H22 C31 C51 117.72(15) 4_565 1_555 1_555 H22 C31 H41 70.61(14) 4_565 1_555 1_555 H22 C31 H21 115.45(21) 4_565 1_555 1_555 H22 C31 C41 92.16(15) 4_565 1_555 1_555 H22 C31 C21 134.78(20) 4_565 1_555 1_555 H22 C31 H31 41.54(30) 4_565 1_555 1_555 H21 C31 H22 100.47(17) 4_555 1_555 4_565 H21 C31 H111 47.10(25) 4_555 1_555 4_555 H21 C31 C61 106.21(17) 4_555 1_555 1_555 H21 C31 C11 111.91(17) 4_555 1_555 1_555 H21 C31 C51 96.39(16) 4_555 1_555 1_555 H21 C31 H41 75.92(13) 4_555 1_555 1_555 H21 C31 H21 106.23(12) 4_555 1_555 1_555 H21 C31 C41 84.74(13) 4_555 1_555 1_555 H21 C31 C21 111.42(14) 4_555 1_555 1_555 H21 C31 H31 74.10(21) 4_555 1_555 1_555 H32 C31 H21 43.01(19) 1_655 1_555 4_555 H32 C31 H22 59.65(16) 1_655 1_555 4_565 H32 C31 H111 84.58(27) 1_655 1_555 4_555 H32 C31 C61 129.18(16) 1_655 1_555 1_555 H32 C31 C11 151.23(14) 1_655 1_555 1_555 H32 C31 C51 102.74(15) 1_655 1_555 1_555 H32 C31 H41 52.16(18) 1_655 1_555 1_555 H32 C31 H21 134.03(23) 1_655 1_555 1_555 H32 C31 C41 74.80(17) 1_655 1_555 1_555 H32 C31 C21 151.80(18) 1_655 1_555 1_555 H32 C31 H31 51.76(43) 1_655 1_555 1_555 H32 C31 H32 90.51(19) 4_565 1_555 1_655 H32 C31 H21 131.36(16) 4_565 1_555 4_555 H32 C31 H22 46.77(20) 4_565 1_555 4_565 H32 C31 H111 137.59(28) 4_565 1_555 4_555 H32 C31 C61 92.62(18) 4_565 1_555 1_555 H32 C31 C11 106.85(17) 4_565 1_555 1_555 H32 C31 C51 78.07(14) 4_565 1_555 1_555 H32 C31 H41 60.69(12) 4_565 1_555 1_555 H32 C31 H21 119.70(12) 4_565 1_555 1_555 H32 C31 C41 65.91(11) 4_565 1_555 1_555 H32 C31 C21 116.84(15) 4_565 1_555 1_555 H32 C31 H31 87.93(18) 4_565 1_555 1_555 C51 C41 H41 120.788(84) 1_555 1_555 1_555 C31 C41 C51 118.42(17) 1_555 1_555 1_555 C31 C41 H41 120.788(84) 1_555 1_555 1_555 H51 C41 C31 144.25(24) 1_555 1_555 1_555 H51 C41 C51 25.82(18) 1_555 1_555 1_555 H51 C41 H41 94.97(20) 1_555 1_555 1_555 H31 C41 H51 170.07(39) 1_555 1_555 1_555 H31 C41 C31 25.82(18) 1_555 1_555 1_555 H31 C41 C51 144.25(24) 1_555 1_555 1_555 H31 C41 H41 94.97(20) 1_555 1_555 1_555 C61 C41 H31 114.90(26) 1_555 1_555 1_555 C61 C41 H51 55.16(18) 1_555 1_555 1_555 C61 C41 C31 89.08(18) 1_555 1_555 1_555 C61 C41 C51 29.342(66) 1_555 1_555 1_555 C61 C41 H41 150.13(11) 1_555 1_555 1_555 C21 C41 C61 59.74(21) 1_555 1_555 1_555 C21 C41 H31 55.16(18) 1_555 1_555 1_555 C21 C41 H51 114.90(26) 1_555 1_555 1_555 C21 C41 C31 29.342(66) 1_555 1_555 1_555 C21 C41 C51 89.08(18) 1_555 1_555 1_555 C21 C41 H41 150.13(11) 1_555 1_555 1_555 H111 C41 C21 68.72(33) 4_555 1_555 1_555 H111 C41 C61 65.67(23) 4_555 1_555 1_555 H111 C41 H31 90.59(27) 4_555 1_555 1_555 H111 C41 H51 84.97(25) 4_555 1_555 1_555 H111 C41 C31 79.25(31) 4_555 1_555 1_555 H111 C41 C51 74.28(20) 4_555 1_555 1_555 H111 C41 H41 116.54(30) 4_555 1_555 1_555 C11 C41 H111 63.46(30) 1_555 1_555 4_555 C11 C41 C21 29.87(11) 1_555 1_555 1_555 C11 C41 C61 29.87(11) 1_555 1_555 1_555 C11 C41 H31 85.03(20) 1_555 1_555 1_555 C11 C41 H51 85.03(20) 1_555 1_555 1_555 C11 C41 C31 59.212(84) 1_555 1_555 1_555 C11 C41 C51 59.212(84) 1_555 1_555 1_555 C11 C41 H41 180.000000000000(17) 1_555 1_555 1_555 H32 C41 C11 104.52(14) 4_565 1_555 1_555 H32 C41 H111 166.04(38) 4_565 1_555 4_555 H32 C41 C21 97.32(13) 4_565 1_555 1_555 H32 C41 C61 107.90(17) 4_565 1_555 1_555 H32 C41 H31 80.90(13) 4_565 1_555 1_555 H32 C41 H51 101.63(21) 4_565 1_555 1_555 H32 C41 C31 88.46(15) 4_565 1_555 1_555 H32 C41 C51 106.46(19) 4_565 1_555 1_555 H32 C41 H41 75.48(14) 4_565 1_555 1_555 H32 C41 H32 97.15(19) 1_655 1_555 4_565 H32 C41 C11 131.94(18) 1_655 1_555 1_555 H32 C41 H111 87.18(24) 1_655 1_555 4_555 H32 C41 C21 105.96(23) 1_655 1_555 1_555 H32 C41 C61 152.16(15) 1_655 1_555 1_555 H32 C41 H31 56.52(31) 1_655 1_555 1_555 H32 C41 H51 131.86(15) 1_655 1_555 1_555 H32 C41 C31 79.43(21) 1_655 1_555 1_555 H32 C41 C51 150.19(15) 1_655 1_555 1_555 H32 C41 H41 48.06(18) 1_655 1_555 1_555 H21 C41 H32 120.46(21) 1_565 1_555 1_655 H21 C41 H32 44.45(22) 1_565 1_555 4_565 H21 C41 C11 104.65(21) 1_565 1_555 1_555 H21 C41 H111 142.30(25) 1_565 1_555 4_555 H21 C41 C21 119.83(19) 1_565 1_555 1_555 H21 C41 C61 86.62(21) 1_565 1_555 1_555 H21 C41 H31 125.33(17) 1_565 1_555 1_555 H21 C41 H51 57.68(16) 1_565 1_555 1_555 H21 C41 C31 127.54(15) 1_565 1_555 1_555 H21 C41 C51 69.49(19) 1_565 1_555 1_555 H21 C41 H41 75.35(21) 1_565 1_555 1_555 C61 C51 H51 118.53(38) 1_555 1_555 1_555 C41 C51 C61 121.10(12) 1_555 1_555 1_555 C41 C51 H51 120.37(39) 1_555 1_555 1_555 H61 C51 C41 146.93(19) 1_555 1_555 1_555 H61 C51 C61 25.83(20) 1_555 1_555 1_555 H61 C51 H51 92.70(43) 1_555 1_555 1_555 H41 C51 H61 172.58(22) 1_555 1_555 1_555 H41 C51 C41 25.648(74) 1_555 1_555 1_555 H41 C51 C61 146.75(14) 1_555 1_555 1_555 H41 C51 H51 94.72(40) 1_555 1_555 1_555 C31 C51 H41 56.435(81) 1_555 1_555 1_555 C31 C51 H61 116.14(20) 1_555 1_555 1_555 C31 C51 C41 30.788(84) 1_555 1_555 1_555 C31 C51 C61 90.31(15) 1_555 1_555 1_555 C31 C51 H51 151.16(40) 1_555 1_555 1_555 C11 C51 C31 60.451(47) 1_555 1_555 1_555 C11 C51 H41 116.89(10) 1_555 1_555 1_555 C11 C51 H61 55.69(19) 1_555 1_555 1_555 C11 C51 C41 91.238(97) 1_555 1_555 1_555 C11 C51 C61 29.86(15) 1_555 1_555 1_555 C11 C51 H51 148.39(41) 1_555 1_555 1_555 H111 C51 C11 69.07(33) 4_555 1_555 1_555 H111 C51 C31 67.28(26) 4_555 1_555 1_555 H111 C51 H41 86.91(22) 4_555 1_555 1_555 H111 C51 H61 89.89(24) 4_555 1_555 1_555 H111 C51 C41 76.49(20) 4_555 1_555 1_555 H111 C51 C61 79.08(29) 4_555 1_555 1_555 H111 C51 H51 115.51(32) 4_555 1_555 1_555 C21 C51 H111 64.51(33) 1_555 1_555 4_555 C21 C51 C11 30.493(70) 1_555 1_555 1_555 C21 C51 C31 29.958(69) 1_555 1_555 1_555 C21 C51 H41 86.39(13) 1_555 1_555 1_555 C21 C51 H61 86.19(23) 1_555 1_555 1_555 C21 C51 C41 60.75(14) 1_555 1_555 1_555 C21 C51 C61 60.36(20) 1_555 1_555 1_555 C21 C51 H51 178.88(43) 1_555 1_555 1_555 H21 C51 C21 114.52(17) 1_565 1_555 1_555 H21 C51 H111 157.82(34) 1_565 1_555 4_555 H21 C51 C11 122.44(18) 1_565 1_555 1_555 H21 C51 C31 100.58(18) 1_565 1_555 1_555 H21 C51 H41 71.00(23) 1_565 1_555 1_555 H21 C51 H61 112.28(19) 1_565 1_555 1_555 H21 C51 C41 84.00(20) 1_565 1_555 1_555 H21 C51 C61 120.76(22) 1_565 1_555 1_555 H21 C51 H51 65.92(21) 1_565 1_555 1_555 H62 C51 H21 138.29(17) 3_665 1_555 1_565 H62 C51 C21 103.60(21) 3_665 1_555 1_555 H62 C51 H111 56.46(24) 3_665 1_555 4_555 H62 C51 C11 83.38(19) 3_665 1_555 1_555 H62 C51 C31 121.10(19) 3_665 1_555 1_555 H62 C51 H41 129.79(19) 3_665 1_555 1_555 H62 C51 H61 52.45(18) 3_665 1_555 1_555 H62 C51 C41 131.41(19) 3_665 1_555 1_555 H62 C51 C61 64.65(21) 3_665 1_555 1_555 H62 C51 H51 75.68(32) 3_665 1_555 1_555 H111 C51 H62 103.78(23) 1_565 1_555 3_665 H111 C51 H21 45.85(24) 1_565 1_555 1_565 H111 C51 C21 113.98(15) 1_565 1_555 1_555 H111 C51 H111 156.29(34) 1_565 1_555 4_555 H111 C51 C11 97.70(17) 1_565 1_555 1_555 H111 C51 C31 124.40(17) 1_565 1_555 1_555 H111 C51 H41 116.79(20) 1_565 1_555 1_555 H111 C51 H61 66.54(22) 1_565 1_555 1_555 H111 C51 C41 124.77(19) 1_565 1_555 1_555 H111 C51 C61 80.25(20) 1_565 1_555 1_555 H111 C51 H51 65.50(24) 1_565 1_555 1_555 C51 C61 H61 120.60(45) 1_555 1_555 1_555 C11 C61 C51 120.81(24) 1_555 1_555 1_555 C11 C61 H61 118.59(38) 1_555 1_555 1_555 H51 C61 C11 147.51(30) 1_555 1_555 1_555 H51 C61 C51 26.71(17) 1_555 1_555 1_555 H51 C61 H61 93.90(48) 1_555 1_555 1_555 C21 C61 H51 116.39(23) 1_555 1_555 1_555 C21 C61 C11 31.12(14) 1_555 1_555 1_555 C21 C61 C51 89.69(15) 1_555 1_555 1_555 C21 C61 H61 149.71(40) 1_555 1_555 1_555 C41 C61 C21 60.13(11) 1_555 1_555 1_555 C41 C61 H51 56.26(19) 1_555 1_555 1_555 C41 C61 C11 91.25(19) 1_555 1_555 1_555 C41 C61 C51 29.555(67) 1_555 1_555 1_555 C41 C61 H61 150.16(42) 1_555 1_555 1_555 N11 C61 C41 120.44(18) 1_555 1_555 1_555 N11 C61 C21 60.399(93) 1_555 1_555 1_555 N11 C61 H51 175.63(22) 1_555 1_555 1_555 N11 C61 C11 29.369(92) 1_555 1_555 1_555 N11 C61 C51 149.91(22) 1_555 1_555 1_555 N11 C61 H61 89.35(39) 1_555 1_555 1_555 H112 C61 N11 23.01(12) 1_555 1_555 1_555 H112 C61 C41 141.69(27) 1_555 1_555 1_555 H112 C61 C21 81.91(18) 1_555 1_555 1_555 H112 C61 H51 161.01(31) 1_555 1_555 1_555 H112 C61 C11 50.95(19) 1_555 1_555 1_555 H112 C61 C51 170.04(34) 1_555 1_555 1_555 H112 C61 H61 67.94(43) 1_555 1_555 1_555 H62 C61 H112 100.99(38) 3_665 1_555 1_555 H62 C61 N11 105.62(21) 3_665 1_555 1_555 H62 C61 C41 104.64(19) 3_665 1_555 1_555 H62 C61 C21 124.65(22) 3_665 1_555 1_555 H62 C61 H51 73.50(23) 3_665 1_555 1_555 H62 C61 C11 120.31(20) 3_665 1_555 1_555 H62 C61 C51 88.18(19) 3_665 1_555 1_555 H62 C61 H61 61.75(26) 3_665 1_555 1_555 C31 C61 H62 118.37(21) 1_555 1_555 3_665 C31 C61 H112 111.73(23) 1_555 1_555 1_555 C31 C61 N11 90.31(14) 1_555 1_555 1_555 C31 C61 C41 30.172(53) 1_555 1_555 1_555 C31 C61 C21 29.958(69) 1_555 1_555 1_555 C31 C61 H51 86.43(21) 1_555 1_555 1_555 C31 C61 C11 61.08(16) 1_555 1_555 1_555 C31 C61 C51 59.73(11) 1_555 1_555 1_555 C31 C61 H61 179.67(41) 1_555 1_555 1_555 H111 C61 C31 61.43(21) 4_555 1_555 1_555 H111 C61 H62 58.97(27) 4_555 1_555 3_665 H111 C61 H112 109.06(36) 4_555 1_555 1_555 H111 C61 N11 91.83(30) 4_555 1_555 1_555 H111 C61 C41 63.22(19) 4_555 1_555 1_555 H111 C61 C21 67.84(29) 4_555 1_555 1_555 H111 C61 H51 84.05(31) 4_555 1_555 1_555 H111 C61 C11 80.42(34) 4_555 1_555 1_555 H111 C61 C51 72.24(25) 4_555 1_555 1_555 H111 C61 H61 118.59(22) 4_555 1_555 1_555 H122 C61 H111 68.76(41) 3_665 1_555 4_555 H122 C61 C31 115.76(35) 3_665 1_555 1_555 H122 C61 H62 52.90(27) 3_665 1_555 3_665 H122 C61 H112 51.64(42) 3_665 1_555 1_555 H122 C61 N11 52.80(23) 3_665 1_555 1_555 H122 C61 C41 131.37(37) 3_665 1_555 1_555 H122 C61 C21 95.35(28) 3_665 1_555 1_555 H122 C61 H51 126.39(27) 3_665 1_555 1_555 H122 C61 C11 73.36(25) 3_665 1_555 1_555 H122 C61 C51 135.16(31) 3_665 1_555 1_555 H122 C61 H61 64.03(42) 3_665 1_555 1_555 H51 C61 H122 99.42(31) 4_465 1_555 3_665 H51 C61 H111 147.26(48) 4_465 1_555 4_555 H51 C61 C31 101.26(23) 4_465 1_555 1_555 H51 C61 H62 138.22(26) 4_465 1_555 3_665 H51 C61 H112 48.56(36) 4_465 1_555 1_555 H51 C61 N11 58.93(23) 4_465 1_555 1_555 H51 C61 C41 116.67(20) 4_465 1_555 1_555 H51 C61 C21 83.75(24) 4_465 1_555 1_555 H51 C61 H51 124.61(22) 4_465 1_555 1_555 H51 C61 C11 66.86(24) 4_465 1_555 1_555 H51 C61 C51 125.41(18) 4_465 1_555 1_555 H51 C61 H61 78.55(30) 4_465 1_555 1_555 H112 H111 N11 32.98(48) 1_555 1_555 1_555 C11 H111 H112 65.21(20) 1_555 1_555 1_555 C11 H111 N11 37.92(25) 1_555 1_555 1_555 H21 H111 C11 57.35(24) 1_555 1_555 1_555 H21 H111 H112 122.38(19) 1_555 1_555 1_555 H21 H111 N11 93.53(48) 1_555 1_555 1_555 C21 H111 H21 24.79(13) 1_555 1_555 1_555 C21 H111 C11 32.59(15) 1_555 1_555 1_555 C21 H111 H112 97.62(16) 1_555 1_555 1_555 C21 H111 N11 69.51(38) 1_555 1_555 1_555 H62 H111 C21 154.67(59) 2_545 1_555 1_555 H62 H111 H21 151.37(70) 2_545 1_555 1_555 H62 H111 C11 132.52(36) 2_545 1_555 1_555 H62 H111 H112 76.29(30) 2_545 1_555 1_555 H62 H111 N11 95.43(50) 2_545 1_555 1_555 C51 H111 H62 66.98(23) 4_455 1_555 2_545 C51 H111 C21 130.32(31) 4_455 1_555 1_555 C51 H111 H21 106.46(30) 4_455 1_555 1_555 C51 H111 C11 160.48(42) 4_455 1_555 1_555 C51 H111 H112 128.48(49) 4_455 1_555 1_555 C51 H111 N11 160.01(63) 4_455 1_555 1_555 C41 H111 C51 29.234(81) 4_455 1_555 4_455 C41 H111 H62 95.58(27) 4_455 1_555 2_545 C41 H111 C21 101.37(27) 4_455 1_555 1_555 C41 H111 H21 78.42(25) 4_455 1_555 1_555 C41 H111 C11 131.66(36) 4_455 1_555 1_555 C41 H111 H112 148.68(77) 4_455 1_555 1_555 C41 H111 N11 168.39(74) 4_455 1_555 1_555 C61 H111 C41 51.11(15) 4_455 1_555 4_455 C61 H111 C51 28.685(95) 4_455 1_555 4_455 C61 H111 H62 58.83(26) 4_455 1_555 2_545 C61 H111 C21 145.84(42) 4_455 1_555 1_555 C61 H111 H21 128.02(31) 4_455 1_555 1_555 C61 H111 C11 152.23(76) 4_455 1_555 1_555 C61 H111 H112 100.93(54) 4_455 1_555 1_555 C61 H111 N11 133.87(78) 4_455 1_555 1_555 C31 H111 C61 58.26(21) 4_455 1_555 4_455 C31 H111 C41 28.567(93) 4_455 1_555 4_455 C31 H111 C51 50.48(16) 4_455 1_555 4_455 C31 H111 H62 115.17(31) 4_455 1_555 2_545 C31 H111 C21 87.88(27) 4_455 1_555 1_555 C31 H111 H21 71.64(23) 4_455 1_555 1_555 C31 H111 C11 110.63(41) 4_455 1_555 1_555 C31 H111 H112 129.57(83) 4_455 1_555 1_555 C31 H111 N11 140.70(87) 4_455 1_555 1_555 H51 H111 C31 116.51(36) 1_545 1_555 4_455 H51 H111 C61 132.33(45) 1_545 1_555 4_455 H51 H111 C41 99.98(40) 1_545 1_555 4_455 H51 H111 C51 107.21(44) 1_545 1_555 4_455 H51 H111 H62 94.70(50) 1_545 1_555 2_545 H51 H111 C21 64.06(32) 1_545 1_555 1_555 H51 H111 H21 59.58(34) 1_545 1_555 1_555 H51 H111 C11 75.22(39) 1_545 1_555 1_555 H51 H111 H112 110.71(60) 1_545 1_555 1_555 H51 H111 N11 82.75(76) 1_545 1_555 1_555 C11 H111 H51 157.30(36) 4_455 1_555 1_545 C11 H111 C31 49.38(21) 4_455 1_555 4_455 C11 H111 C61 28.11(15) 4_455 1_555 4_455 C11 H111 C41 59.11(21) 4_455 1_555 4_455 C11 H111 C51 50.34(19) 4_455 1_555 4_455 C11 H111 H62 79.93(31) 4_455 1_555 2_545 C11 H111 C21 125.01(49) 4_455 1_555 1_555 C11 H111 H21 118.47(41) 4_455 1_555 1_555 C11 H111 C11 124.42(65) 4_455 1_555 1_555 C11 H111 H112 89.59(66) 4_455 1_555 1_555 C11 H111 N11 119.56(93) 4_455 1_555 1_555 C21 H111 C11 27.64(15) 4_455 1_555 4_455 C21 H111 H51 143.75(34) 4_455 1_555 1_545 C21 H111 C31 27.53(12) 4_455 1_555 4_455 C21 H111 C61 49.25(26) 4_455 1_555 4_455 C21 H111 C41 49.93(18) 4_455 1_555 4_455 C21 H111 C51 58.16(22) 4_455 1_555 4_455 C21 H111 H62 106.57(39) 4_455 1_555 2_545 C21 H111 C21 98.74(38) 4_455 1_555 1_555 C21 H111 H21 91.05(34) 4_455 1_555 1_555 C21 H111 C11 108.11(53) 4_455 1_555 1_555 C21 H111 H112 102.79(76) 4_455 1_555 1_555 C21 H111 N11 122.78(96) 4_455 1_555 1_555 H51 H111 C21 58.85(34) 4_465 1_555 4_455 H51 H111 C11 62.64(38) 4_465 1_555 4_455 H51 H111 H51 138.42(29) 4_465 1_555 1_545 H51 H111 C31 81.38(41) 4_465 1_555 4_455 H51 H111 C61 89.23(49) 4_465 1_555 4_455 H51 H111 C41 108.28(48) 4_465 1_555 4_455 H51 H111 C51 112.41(52) 4_465 1_555 4_455 H51 H111 H62 111.75(50) 4_465 1_555 2_545 H51 H111 C21 80.64(31) 4_465 1_555 1_555 H51 H111 H21 96.62(39) 4_465 1_555 1_555 H51 H111 C11 63.23(32) 4_465 1_555 1_555 H51 H111 H112 50.78(54) 4_465 1_555 1_555 H51 H111 N11 63.96(67) 4_465 1_555 1_555 H61 H111 H51 158.97(35) 1_545 1_555 4_465 H61 H111 C21 130.62(28) 1_545 1_555 4_455 H61 H111 C11 116.01(30) 1_545 1_555 4_455 H61 H111 H51 48.68(32) 1_545 1_555 1_545 H61 H111 C31 114.36(30) 1_545 1_555 4_455 H61 H111 C61 87.94(30) 1_545 1_555 4_455 H61 H111 C41 85.89(32) 1_545 1_555 4_455 H61 H111 C51 72.50(29) 1_545 1_555 4_455 H61 H111 H62 49.89(29) 1_545 1_555 2_545 H61 H111 C21 112.45(53) 1_545 1_555 1_555 H61 H111 H21 101.52(50) 1_545 1_555 1_555 H61 H111 C11 118.93(59) 1_545 1_555 1_555 H61 H111 H112 109.49(52) 1_545 1_555 1_555 H61 H111 N11 104.07(81) 1_545 1_555 1_555 C51 H111 H61 40.34(23) 1_545 1_555 1_545 C51 H111 H51 154.49(32) 1_545 1_555 4_465 C51 H111 C21 128.72(25) 1_545 1_555 4_455 C51 H111 C11 137.35(28) 1_545 1_555 4_455 C51 H111 H51 19.96(14) 1_545 1_555 1_545 C51 H111 C31 101.44(28) 1_545 1_555 4_455 C51 H111 C61 114.02(34) 1_545 1_555 4_455 C51 H111 C41 81.08(30) 1_545 1_555 4_455 C51 H111 C51 87.55(33) 1_545 1_555 4_455 C51 H111 H62 90.21(45) 1_545 1_555 2_545 C51 H111 C21 74.18(33) 1_545 1_555 1_555 C51 H111 H21 61.27(32) 1_545 1_555 1_555 C51 H111 C11 92.58(45) 1_545 1_555 1_555 C51 H111 H112 128.39(68) 1_545 1_555 1_555 C51 H111 N11 102.53(85) 1_545 1_555 1_555 H122 H111 C51 138.25(50) 2_545 1_555 1_545 H122 H111 H61 98.34(41) 2_545 1_555 1_545 H122 H111 H51 63.24(36) 2_545 1_555 4_465 H122 H111 C21 78.43(36) 2_545 1_555 4_455 H122 H111 C11 53.69(26) 2_545 1_555 4_455 H122 H111 H51 135.84(47) 2_545 1_555 1_545 H122 H111 C31 103.06(42) 2_545 1_555 4_455 H122 H111 C61 55.75(30) 2_545 1_555 4_455 H122 H111 C41 106.50(35) 2_545 1_555 4_455 H122 H111 C51 82.69(34) 2_545 1_555 4_455 H122 H111 H62 48.70(35) 2_545 1_555 2_545 H122 H111 C21 139.59(47) 2_545 1_555 1_555 H122 H111 H21 159.85(65) 2_545 1_555 1_555 H122 H111 C11 109.42(39) 2_545 1_555 1_555 H122 H111 H112 45.80(36) 2_545 1_555 1_555 H122 H111 N11 78.31(54) 2_545 1_555 1_555 H122 H111 H122 80.32(33) 3_665 1_555 2_545 H122 H111 C51 81.59(41) 3_665 1_555 1_545 H122 H111 H61 74.39(34) 3_665 1_555 1_545 H122 H111 H51 91.65(33) 3_665 1_555 4_465 H122 H111 C21 149.22(56) 3_665 1_555 4_455 H122 H111 C11 133.28(49) 3_665 1_555 4_455 H122 H111 H51 64.34(37) 3_665 1_555 1_545 H122 H111 C31 169.63(38) 3_665 1_555 4_455 H122 H111 C61 129.73(39) 3_665 1_555 4_455 H122 H111 C41 159.97(60) 3_665 1_555 4_455 H122 H111 C51 139.87(41) 3_665 1_555 4_455 H122 H111 H62 74.51(34) 3_665 1_555 2_545 H122 H111 C21 83.40(34) 3_665 1_555 1_555 H122 H111 H21 101.78(43) 3_665 1_555 1_555 H122 H111 C11 59.14(30) 3_665 1_555 1_555 H122 H111 H112 46.83(56) 3_665 1_555 1_555 H122 H111 N11 29.78(58) 3_665 1_555 1_555 H111 H112 N11 32.98(48) 1_555 1_555 1_555 C11 H112 H111 65.21(20) 1_555 1_555 1_555 C11 H112 N11 37.92(25) 1_555 1_555 1_555 N12 H112 C11 171.39(54) 2_545 1_555 1_555 N12 H112 H111 123.39(41) 2_545 1_555 1_555 N12 H112 N11 149.60(68) 2_545 1_555 1_555 H51 H112 N12 100.34(53) 4_465 1_555 2_545 H51 H112 C11 78.18(41) 4_465 1_555 1_555 H51 H112 H111 94.61(72) 4_465 1_555 1_555 H51 H112 N11 100.66(80) 4_465 1_555 1_555 H122 H112 H51 88.05(54) 2_545 1_555 4_465 H122 H112 N12 25.77(23) 2_545 1_555 2_545 H122 H112 C11 160.35(82) 2_545 1_555 1_555 H122 H112 H111 102.53(56) 2_545 1_555 1_555 H122 H112 N11 134.63(82) 2_545 1_555 1_555 H122 H112 H122 121.49(76) 3_665 1_555 2_545 H122 H112 H51 141.44(40) 3_665 1_555 4_465 H122 H112 N12 99.55(69) 3_665 1_555 2_545 H122 H112 C11 77.25(51) 3_665 1_555 1_555 H122 H112 H111 101.44(66) 3_665 1_555 1_555 H122 H112 N11 76.79(81) 3_665 1_555 1_555 H61 H112 H122 64.04(38) 1_555 1_555 3_665 H61 H112 H122 134.17(49) 1_555 1_555 2_545 H61 H112 H51 77.65(30) 1_555 1_555 4_465 H61 H112 N12 114.83(45) 1_555 1_555 2_545 H61 H112 C11 56.56(24) 1_555 1_555 1_555 H61 H112 H111 121.67(21) 1_555 1_555 1_555 H61 H112 N11 91.02(51) 1_555 1_555 1_555 C61 H112 H61 24.52(13) 1_555 1_555 1_555 C61 H112 H122 68.83(39) 1_555 1_555 3_665 C61 H112 H122 154.54(58) 1_555 1_555 2_545 C61 H112 H51 74.53(29) 1_555 1_555 4_465 C61 H112 N12 139.26(47) 1_555 1_555 2_545 C61 H112 C11 32.14(15) 1_555 1_555 1_555 C61 H112 H111 97.34(16) 1_555 1_555 1_555 C61 H112 N11 68.20(39) 1_555 1_555 1_555 C12 H112 C61 137.93(58) 2_545 1_555 1_555 C12 H112 H61 117.08(50) 2_545 1_555 1_555 C12 H112 H122 76.27(56) 2_545 1_555 3_665 C12 H112 H122 45.27(30) 2_545 1_555 2_545 C12 H112 H51 128.91(45) 2_545 1_555 4_465 C12 H112 N12 28.60(17) 2_545 1_555 2_545 C12 H112 C11 152.19(71) 2_545 1_555 1_555 C12 H112 H111 112.26(30) 2_545 1_555 1_555 C12 H112 N11 125.74(73) 2_545 1_555 1_555 H62 H112 C12 44.21(21) 2_545 1_555 2_545 H62 H112 C61 148.72(52) 2_545 1_555 1_555 H62 H112 H61 149.89(67) 2_545 1_555 1_555 H62 H112 H122 86.53(47) 2_545 1_555 3_665 H62 H112 H122 55.78(42) 2_545 1_555 2_545 H62 H112 H51 132.03(58) 2_545 1_555 4_465 H62 H112 N12 61.49(32) 2_545 1_555 2_545 H62 H112 C11 125.71(37) 2_545 1_555 1_555 H62 H112 H111 68.08(26) 2_545 1_555 1_555 H62 H112 N11 88.11(49) 2_545 1_555 1_555 H52 H112 H62 105.11(42) 2_555 1_555 2_545 H52 H112 C12 64.04(28) 2_555 1_555 2_545 H52 H112 C61 76.67(31) 2_555 1_555 1_555 H52 H112 H61 53.37(27) 2_555 1_555 1_555 H52 H112 H122 54.65(47) 2_555 1_555 3_665 H52 H112 H122 90.82(40) 2_555 1_555 2_545 H52 H112 H51 105.79(47) 2_555 1_555 4_465 H52 H112 N12 65.78(33) 2_555 1_555 2_545 H52 H112 C11 106.29(45) 2_555 1_555 1_555 H52 H112 H111 156.03(81) 2_555 1_555 1_555 H52 H112 N11 127.81(93) 2_555 1_555 1_555 H121 H112 H52 57.96(35) 2_545 1_555 2_555 H121 H112 H62 77.22(40) 2_545 1_555 2_545 H121 H112 C12 41.34(24) 2_545 1_555 2_545 H121 H112 C61 125.42(44) 2_545 1_555 1_555 H121 H112 H61 101.70(42) 2_545 1_555 1_555 H121 H112 H122 102.11(65) 2_545 1_555 3_665 H121 H112 H122 34.02(36) 2_545 1_555 2_545 H121 H112 H51 89.28(45) 2_545 1_555 4_465 H121 H112 N12 15.74(21) 2_545 1_555 2_545 H121 H112 C11 156.60(50) 2_545 1_555 1_555 H121 H112 H111 136.31(50) 2_545 1_555 1_555 H121 H112 N11 165.33(71) 2_545 1_555 1_555 C62 H112 H121 66.11(34) 2_545 1_555 2_545 C62 H112 H52 84.65(35) 2_545 1_555 2_555 C62 H112 H62 20.49(12) 2_545 1_555 2_545 C62 H112 C12 26.83(14) 2_545 1_555 2_545 C62 H112 C61 141.93(60) 2_545 1_555 1_555 C62 H112 H61 132.03(59) 2_545 1_555 1_555 C62 H112 H122 73.29(46) 2_545 1_555 3_665 C62 H112 H122 56.06(38) 2_545 1_555 2_545 C62 H112 H51 143.18(49) 2_545 1_555 4_465 C62 H112 N12 51.16(27) 2_545 1_555 2_545 C62 H112 C11 133.62(48) 2_545 1_555 1_555 C62 H112 H111 86.46(30) 2_545 1_555 1_555 C62 H112 N11 99.93(58) 2_545 1_555 1_555 C11 H21 C21 35.01(24) 1_555 1_555 1_555 C31 H21 C11 68.57(17) 1_555 1_555 1_555 C31 H21 C21 33.57(26) 1_555 1_555 1_555 H32 H21 C31 117.01(42) 4_555 1_555 1_555 H32 H21 C11 169.52(38) 4_555 1_555 1_555 H32 H21 C21 149.76(58) 4_555 1_555 1_555 H111 H21 H32 119.77(33) 1_555 1_555 4_555 H111 H21 C31 121.89(30) 1_555 1_555 1_555 H111 H21 C11 53.42(24) 1_555 1_555 1_555 H111 H21 C21 88.37(42) 1_555 1_555 1_555 H31 H21 H111 148.10(28) 1_555 1_555 1_555 H31 H21 H32 91.05(35) 1_555 1_555 4_555 H31 H21 C31 26.28(14) 1_555 1_555 1_555 H31 H21 C11 94.86(20) 1_555 1_555 1_555 H31 H21 C21 59.85(36) 1_555 1_555 1_555 N11 H21 H31 126.22(20) 1_555 1_555 1_555 N11 H21 H111 22.66(13) 1_555 1_555 1_555 N11 H21 H32 142.40(35) 1_555 1_555 4_555 N11 H21 C31 99.97(21) 1_555 1_555 1_555 N11 H21 C11 31.51(13) 1_555 1_555 1_555 N11 H21 C21 66.44(33) 1_555 1_555 1_555 H51 H21 N11 67.43(28) 1_545 1_555 1_555 H51 H21 H31 111.36(28) 1_545 1_555 1_555 H51 H21 H111 69.87(46) 1_545 1_555 1_555 H51 H21 H32 106.60(28) 1_545 1_555 4_555 H51 H21 C31 104.93(26) 1_545 1_555 1_555 H51 H21 C11 79.27(26) 1_545 1_555 1_555 H51 H21 C21 92.76(27) 1_545 1_555 1_555 C51 H21 H51 21.90(11) 1_545 1_555 1_545 C51 H21 N11 78.88(24) 1_545 1_555 1_555 C51 H21 H31 120.80(23) 1_545 1_555 1_555 C51 H21 H111 72.88(42) 1_545 1_555 1_555 C51 H21 H32 86.23(24) 1_545 1_555 4_555 C51 H21 C31 122.75(18) 1_545 1_555 1_555 C51 H21 C11 98.10(25) 1_545 1_555 1_555 C51 H21 C21 114.65(23) 1_545 1_555 1_555 H31 H21 C51 115.16(28) 4_455 1_555 1_545 H31 H21 H51 133.33(37) 4_455 1_555 1_545 H31 H21 N11 98.16(27) 4_455 1_555 1_555 H31 H21 H31 112.43(25) 4_455 1_555 1_555 H31 H21 H111 81.26(35) 4_455 1_555 1_555 H31 H21 H32 57.65(31) 4_455 1_555 4_555 H31 H21 C31 121.51(24) 4_455 1_555 1_555 H31 H21 C11 111.97(26) 4_455 1_555 1_555 H31 H21 C21 122.98(24) 4_455 1_555 1_555 H42 H21 H31 49.61(15) 4_555 1_555 4_455 H42 H21 C51 140.61(31) 4_555 1_555 1_545 H42 H21 H51 158.39(42) 4_555 1_555 1_545 H42 H21 N11 133.53(24) 4_555 1_555 1_555 H42 H21 H31 63.21(21) 4_555 1_555 1_555 H42 H21 H111 126.65(38) 4_555 1_555 1_555 H42 H21 H32 54.54(26) 4_555 1_555 4_555 H42 H21 C31 78.97(22) 4_555 1_555 1_555 H42 H21 C11 121.14(24) 4_555 1_555 1_555 H42 H21 C21 100.91(34) 4_555 1_555 1_555 C32 H21 H42 42.31(15) 4_555 1_555 4_555 C32 H21 H31 63.24(16) 4_555 1_555 4_455 C32 H21 C51 98.87(20) 4_555 1_555 1_545 C32 H21 H51 116.57(29) 4_555 1_555 1_545 C32 H21 N11 158.60(30) 4_555 1_555 1_555 C32 H21 H31 73.40(27) 4_555 1_555 1_555 C32 H21 H111 136.28(30) 4_555 1_555 1_555 C32 H21 H32 18.16(15) 4_555 1_555 4_555 C32 H21 C31 99.05(31) 4_555 1_555 1_555 C32 H21 C11 162.69(26) 4_555 1_555 1_555 C32 H21 C21 131.61(51) 4_555 1_555 1_555 H41 H21 C32 67.00(20) 1_545 1_555 4_555 H41 H21 H42 106.77(30) 1_545 1_555 4_555 H41 H21 H31 118.61(24) 1_545 1_555 4_455 H41 H21 C51 42.70(13) 1_545 1_555 1_545 H41 H21 H51 51.77(21) 1_545 1_555 1_545 H41 H21 N11 119.02(22) 1_545 1_555 1_555 H41 H21 H31 84.10(27) 1_545 1_555 1_555 H41 H21 H111 115.52(43) 1_545 1_555 1_555 H41 H21 H32 63.69(29) 1_545 1_555 4_555 H41 H21 C31 99.33(26) 1_545 1_555 1_555 H41 H21 C11 125.50(15) 1_545 1_555 1_555 H41 H21 C21 116.41(27) 1_545 1_555 1_555 C31 H21 H41 120.78(25) 4_455 1_555 1_545 C31 H21 C32 79.77(16) 4_455 1_555 4_555 C31 H21 H42 69.90(13) 4_455 1_555 4_555 C31 H21 H31 20.54(10) 4_455 1_555 4_455 C31 H21 C51 102.16(23) 4_455 1_555 1_545 C31 H21 H51 116.36(33) 4_455 1_555 1_545 C31 H21 N11 79.94(24) 4_455 1_555 1_555 C31 H21 H31 131.80(19) 4_455 1_555 1_555 C31 H21 H111 61.26(30) 4_455 1_555 1_555 C31 H21 H32 69.68(22) 4_455 1_555 4_555 C31 H21 C31 134.42(18) 4_455 1_555 1_555 C31 H21 C11 100.00(28) 4_455 1_555 1_555 C31 H21 C21 122.31(31) 4_455 1_555 1_555 C41 H21 C31 105.26(20) 1_545 1_555 4_455 C41 H21 H41 20.47(10) 1_545 1_555 1_545 C41 H21 C32 73.72(18) 1_545 1_555 4_555 C41 H21 H42 116.02(30) 1_545 1_555 4_555 C41 H21 H31 109.35(23) 1_545 1_555 4_455 C41 H21 C51 26.517(59) 1_545 1_555 1_545 C41 H21 H51 43.14(16) 1_545 1_555 1_545 C41 H21 N11 105.36(24) 1_545 1_555 1_555 C41 H21 H31 104.57(26) 1_545 1_555 1_555 C41 H21 H111 96.96(41) 1_545 1_555 1_555 C41 H21 H32 64.00(25) 1_545 1_555 4_555 C41 H21 C31 118.24(24) 1_545 1_555 1_555 C41 H21 C11 122.40(21) 1_545 1_555 1_555 C41 H21 C21 127.58(15) 1_545 1_555 1_555 C21 H31 C31 34.77(23) 1_555 1_555 1_555 C41 H31 C21 68.58(15) 1_555 1_555 1_555 C41 H31 C31 33.81(24) 1_555 1_555 1_555 H22 H31 C41 97.12(31) 4_565 1_555 1_555 H22 H31 C21 134.59(29) 4_565 1_555 1_555 H22 H31 C31 119.70(38) 4_565 1_555 1_555 H21 H31 H22 133.84(31) 1_555 1_555 4_565 H21 H31 C41 94.83(14) 1_555 1_555 1_555 H21 H31 C21 26.25(15) 1_555 1_555 1_555 H21 H31 C31 61.02(31) 1_555 1_555 1_555 H41 H31 H21 120.56(10) 1_555 1_555 1_555 H41 H31 H22 78.77(28) 1_555 1_555 4_565 H41 H31 C41 25.73(10) 1_555 1_555 1_555 H41 H31 C21 94.30(14) 1_555 1_555 1_555 H41 H31 C31 59.54(31) 1_555 1_555 1_555 H42 H31 H41 116.69(31) 1_655 1_555 1_555 H42 H31 H21 113.69(34) 1_655 1_555 1_555 H42 H31 H22 86.60(33) 1_655 1_555 4_565 H42 H31 C41 136.24(32) 1_655 1_555 1_555 H42 H31 C21 134.10(34) 1_655 1_555 1_555 H42 H31 C31 149.14(19) 1_655 1_555 1_555 H32 H31 H42 58.36(25) 1_655 1_555 1_655 H32 H31 H41 58.34(31) 1_655 1_555 1_555 H32 H31 H21 149.35(20) 1_655 1_555 1_555 H32 H31 H22 76.78(38) 1_655 1_555 4_565 H32 H31 C41 80.00(33) 1_655 1_555 1_555 H32 H31 C21 136.60(28) 1_655 1_555 1_555 H32 H31 C31 109.14(48) 1_655 1_555 1_555 H42 H31 H32 140.25(34) 4_555 1_555 1_655 H42 H31 H42 100.10(23) 4_555 1_555 1_655 H42 H31 H41 128.54(19) 4_555 1_555 1_555 H42 H31 H21 67.48(23) 4_555 1_555 1_555 H42 H31 H22 68.36(22) 4_555 1_555 4_565 H42 H31 C41 121.87(24) 4_555 1_555 1_555 H42 H31 C21 82.91(27) 4_555 1_555 1_555 H42 H31 C31 104.46(34) 4_555 1_555 1_555 H21 H31 H42 157.64(35) 4_555 1_555 4_555 H21 H31 H32 47.66(19) 4_555 1_555 1_655 H21 H31 H42 65.36(21) 4_555 1_555 1_655 H21 H31 H41 73.78(20) 4_555 1_555 1_555 H21 H31 H21 101.70(18) 4_555 1_555 1_555 H21 H31 H22 124.42(33) 4_555 1_555 4_565 H21 H31 C41 77.23(22) 4_555 1_555 1_555 H21 H31 C21 95.23(19) 4_555 1_555 1_555 H21 H31 C31 85.36(24) 4_555 1_555 1_555 C42 H31 H21 139.23(28) 4_555 1_555 4_555 C42 H31 H42 21.14(11) 4_555 1_555 4_555 C42 H31 H32 126.75(30) 4_555 1_555 1_655 C42 H31 H42 79.13(14) 4_555 1_555 1_655 C42 H31 H41 143.96(18) 4_555 1_555 1_555 C42 H31 H21 74.05(26) 4_555 1_555 1_555 C42 H31 H22 69.69(18) 4_555 1_555 4_565 C42 H31 C41 142.87(19) 4_555 1_555 1_555 C42 H31 C21 95.58(31) 4_555 1_555 1_555 C42 H31 C31 123.12(40) 4_555 1_555 1_555 C42 H31 C42 86.66(14) 1_655 1_555 4_555 C42 H31 H21 66.35(19) 1_655 1_555 4_555 C42 H31 H42 105.78(23) 1_655 1_555 4_555 C42 H31 H32 43.52(17) 1_655 1_555 1_655 C42 H31 H42 19.12(13) 1_655 1_555 1_655 C42 H31 H41 100.42(27) 1_655 1_555 1_555 C42 H31 H21 132.81(28) 1_655 1_555 1_555 C42 H31 H22 72.59(29) 1_655 1_555 4_565 C42 H31 C41 123.49(32) 1_655 1_555 1_555 C42 H31 C21 151.62(25) 1_655 1_555 1_555 C42 H31 C31 149.76(35) 1_655 1_555 1_555 C32 H31 C42 25.828(73) 1_655 1_555 1_655 C32 H31 C42 107.72(18) 1_655 1_555 4_555 C32 H31 H21 58.56(18) 1_655 1_555 4_555 C32 H31 H42 123.11(24) 1_655 1_555 4_555 C32 H31 H32 19.22(13) 1_655 1_555 1_655 C32 H31 H42 43.28(18) 1_655 1_555 1_655 C32 H31 H41 74.59(23) 1_655 1_555 1_555 C32 H31 H21 152.79(21) 1_655 1_555 1_555 C32 H31 H22 68.00(29) 1_655 1_555 4_565 C32 H31 C41 98.10(28) 1_655 1_555 1_555 C32 H31 C21 153.30(18) 1_655 1_555 1_555 C32 H31 C31 128.34(44) 1_655 1_555 1_555 C51 H41 C41 33.565(81) 1_555 1_555 1_555 C31 H41 C51 67.13(16) 1_555 1_555 1_555 C31 H41 C41 33.565(81) 1_555 1_555 1_555 H32 H41 C31 84.65(25) 1_655 1_555 1_555 H32 H41 C51 138.08(25) 1_655 1_555 1_555 H32 H41 C41 112.99(25) 1_655 1_555 1_555 H51 H41 H32 148.26(18) 1_555 1_555 1_655 H51 H41 C31 92.87(16) 1_555 1_555 1_555 H51 H41 C51 25.74(11) 1_555 1_555 1_555 H51 H41 C41 59.30(11) 1_555 1_555 1_555 H31 H41 H51 118.61(22) 1_555 1_555 1_555 H31 H41 H32 63.15(30) 1_555 1_555 1_655 H31 H41 C31 25.74(11) 1_555 1_555 1_555 H31 H41 C51 92.87(16) 1_555 1_555 1_555 H31 H41 C41 59.30(11) 1_555 1_555 1_555 H32 H41 H31 77.17(17) 4_565 1_555 1_555 H32 H41 H51 95.52(19) 4_565 1_555 1_555 H32 H41 H32 114.74(22) 4_565 1_555 1_655 H32 H41 C31 78.17(18) 4_565 1_555 1_555 H32 H41 C51 89.98(21) 4_565 1_555 1_555 H32 H41 C41 82.92(20) 4_565 1_555 1_555 H21 H41 H32 45.72(23) 1_565 1_555 4_565 H21 H41 H31 116.24(18) 1_565 1_555 1_555 H21 H41 H51 56.93(18) 1_565 1_555 1_555 H21 H41 H32 154.13(25) 1_565 1_555 1_655 H21 H41 C31 103.48(23) 1_565 1_555 1_555 H21 H41 C51 66.30(20) 1_565 1_555 1_555 H21 H41 C41 84.18(22) 1_565 1_555 1_555 H22 H41 H21 94.33(21) 4_565 1_555 1_565 H22 H41 H32 49.29(21) 4_565 1_555 4_565 H22 H41 H31 46.89(21) 4_565 1_555 1_555 H22 H41 H51 141.05(21) 4_565 1_555 1_555 H22 H41 H32 65.96(16) 4_565 1_555 1_655 H22 H41 C31 66.87(19) 4_565 1_555 1_555 H22 H41 C51 123.14(24) 4_565 1_555 1_555 H22 H41 C41 95.30(21) 4_565 1_555 1_555 C21 H41 H22 131.92(24) 4_565 1_555 4_565 C21 H41 H21 91.68(15) 4_565 1_555 1_565 C21 H41 H32 125.42(22) 4_565 1_555 4_565 C21 H41 H31 151.77(17) 4_565 1_555 1_555 C21 H41 H51 79.18(17) 4_565 1_555 1_555 C21 H41 H32 90.04(21) 4_565 1_555 1_655 C21 H41 C31 155.43(15) 4_565 1_555 1_555 C21 H41 C51 102.85(14) 4_565 1_555 1_555 C21 H41 C41 132.78(15) 4_565 1_555 1_555 C61 H51 C51 34.77(23) 1_555 1_555 1_555 C41 H51 C61 68.58(15) 1_555 1_555 1_555 C41 H51 C51 33.81(24) 1_555 1_555 1_555 H112 H51 C41 142.30(39) 4_565 1_555 1_555 H112 H51 C61 136.02(45) 4_565 1_555 1_555 H112 H51 C51 156.18(32) 4_565 1_555 1_555 H61 H51 H112 113.22(41) 1_555 1_555 4_565 H61 H51 C41 94.83(14) 1_555 1_555 1_555 H61 H51 C61 26.25(15) 1_555 1_555 1_555 H61 H51 C51 61.02(31) 1_555 1_555 1_555 H41 H51 H61 120.56(10) 1_555 1_555 1_555 H41 H51 H112 120.80(37) 1_555 1_555 4_565 H41 H51 C41 25.73(10) 1_555 1_555 1_555 H41 H51 C61 94.30(14) 1_555 1_555 1_555 H41 H51 C51 59.54(31) 1_555 1_555 1_555 H21 H51 H41 71.30(27) 1_565 1_555 1_555 H21 H51 H61 111.32(28) 1_565 1_555 1_555 H21 H51 H112 110.76(41) 1_565 1_555 4_565 H21 H51 C41 79.18(24) 1_565 1_555 1_555 H21 H51 C61 104.85(24) 1_565 1_555 1_555 H21 H51 C51 92.19(26) 1_565 1_555 1_555 N11 H51 H21 98.92(32) 4_565 1_555 1_565 N11 H51 H41 100.28(31) 4_565 1_555 1_555 N11 H51 H61 134.77(32) 4_565 1_555 1_555 N11 H51 H112 21.67(15) 4_565 1_555 4_565 N11 H51 C41 124.16(36) 4_565 1_555 1_555 N11 H51 C61 155.11(29) 4_565 1_555 1_555 N11 H51 C51 152.39(41) 4_565 1_555 1_555 C11 H51 N11 29.26(11) 4_565 1_555 4_565 C11 H51 H21 104.49(36) 4_565 1_555 1_565 C11 H51 H41 75.21(24) 4_565 1_555 1_555 C11 H51 H61 143.87(19) 4_565 1_555 1_555 C11 H51 H112 46.19(21) 4_565 1_555 4_565 C11 H51 C41 96.42(28) 4_565 1_555 1_555 C11 H51 C61 143.54(16) 4_565 1_555 1_555 C11 H51 C51 123.31(39) 4_565 1_555 1_555 H111 H51 C11 137.48(24) 1_565 1_555 4_565 H111 H51 N11 112.05(20) 1_565 1_555 4_565 H111 H51 H21 50.56(28) 1_565 1_555 1_565 H111 H51 H41 115.78(21) 1_565 1_555 1_555 H111 H51 H61 68.76(26) 1_565 1_555 1_555 H111 H51 H112 104.84(31) 1_565 1_555 4_565 H111 H51 C41 108.70(18) 1_565 1_555 1_555 H111 H51 C61 78.69(24) 1_565 1_555 1_555 H111 H51 C51 94.54(25) 1_565 1_555 1_555 C21 H51 H111 52.87(21) 1_565 1_555 1_565 C21 H51 C11 91.02(26) 1_565 1_555 4_565 C21 H51 N11 78.97(22) 1_565 1_555 4_565 C21 H51 H21 21.81(11) 1_565 1_555 1_565 C21 H51 H41 83.59(22) 1_565 1_555 1_555 C21 H51 H61 121.29(23) 1_565 1_555 1_555 C21 H51 H112 89.03(35) 1_565 1_555 4_565 C21 H51 C41 97.63(21) 1_565 1_555 1_555 C21 H51 C61 122.97(18) 1_565 1_555 1_555 C21 H51 C51 113.99(22) 1_565 1_555 1_555 H62 H51 C21 156.75(30) 3_665 1_555 1_565 H62 H51 H111 113.07(36) 3_665 1_555 1_565 H62 H51 C11 91.75(21) 3_665 1_555 4_565 H62 H51 N11 92.48(24) 3_665 1_555 4_565 H62 H51 H21 162.80(43) 3_665 1_555 1_565 H62 H51 H41 119.39(21) 3_665 1_555 1_555 H62 H51 H61 52.15(23) 3_665 1_555 1_555 H62 H51 H112 76.43(35) 3_665 1_555 4_565 H62 H51 C41 104.98(23) 3_665 1_555 1_555 H62 H51 C61 62.71(26) 3_665 1_555 1_555 H62 H51 C51 83.36(33) 3_665 1_555 1_555 N11 H51 H62 110.82(31) 1_565 1_555 3_665 N11 H51 C21 48.90(14) 1_565 1_555 1_565 N11 H51 H111 20.13(11) 1_565 1_555 1_565 N11 H51 C11 119.82(20) 1_565 1_555 4_565 N11 H51 N11 92.55(15) 1_565 1_555 4_565 N11 H51 H21 56.12(22) 1_565 1_555 1_565 N11 H51 H41 127.20(19) 1_565 1_555 1_555 N11 H51 H61 78.49(25) 1_565 1_555 1_555 N11 H51 H112 84.83(28) 1_565 1_555 4_565 N11 H51 C41 126.80(15) 1_565 1_555 1_555 N11 H51 C61 94.56(27) 1_565 1_555 1_555 N11 H51 C51 114.49(28) 1_565 1_555 1_555 H61 H51 N11 133.73(23) 4_565 1_555 1_565 H61 H51 H62 48.80(25) 4_565 1_555 3_665 H61 H51 C21 132.71(36) 4_565 1_555 1_565 H61 H51 H111 150.46(30) 4_565 1_555 1_565 H61 H51 C11 43.50(15) 4_565 1_555 4_565 H61 H51 N11 55.05(19) 4_565 1_555 4_565 H61 H51 H21 147.91(45) 4_565 1_555 1_565 H61 H51 H41 93.48(23) 4_565 1_555 1_555 H61 H51 H61 100.76(26) 4_565 1_555 1_555 H61 H51 H112 52.46(31) 4_565 1_555 4_565 H61 H51 C41 99.46(23) 4_565 1_555 1_555 H61 H51 C61 104.32(25) 4_565 1_555 1_555 H61 H51 C51 104.39(23) 4_565 1_555 1_555 C61 H51 H61 20.870(92) 4_565 1_555 4_565 C61 H51 N11 141.32(22) 4_565 1_555 1_565 C61 H51 H62 68.58(21) 4_565 1_555 3_665 C61 H51 C21 118.29(34) 4_565 1_555 1_565 C61 H51 H111 161.44(24) 4_565 1_555 1_565 C61 H51 C11 27.67(11) 4_565 1_555 4_565 C61 H51 N11 49.85(16) 4_565 1_555 4_565 C61 H51 H21 128.58(42) 4_565 1_555 1_565 C61 H51 H41 75.85(21) 4_565 1_555 1_555 C61 H51 H61 119.30(21) 4_565 1_555 1_555 C61 H51 H112 56.91(27) 4_565 1_555 4_565 C61 H51 C41 87.93(21) 4_565 1_555 1_555 C61 H51 C61 116.18(17) 4_565 1_555 1_555 C61 H51 C51 103.98(24) 4_565 1_555 1_555 H111 H51 C61 66.63(27) 4_565 1_555 4_565 H111 H51 H61 74.54(29) 4_565 1_555 4_565 H111 H51 N11 78.76(20) 4_565 1_555 1_565 H111 H51 H62 110.47(28) 4_565 1_555 3_665 H111 H51 C21 59.25(22) 4_565 1_555 1_565 H111 H51 H111 96.57(25) 4_565 1_555 1_565 H111 H51 C11 41.16(22) 4_565 1_555 4_565 H111 H51 N11 19.73(16) 4_565 1_555 4_565 H111 H51 H21 79.52(30) 4_565 1_555 1_565 H111 H51 H41 97.37(33) 4_565 1_555 1_555 H111 H51 H61 142.07(36) 4_565 1_555 1_555 H111 H51 H112 34.61(31) 4_565 1_555 4_565 H111 H51 C41 123.10(39) 4_565 1_555 1_555 H111 H51 C61 168.31(42) 4_565 1_555 1_555 H111 H51 C51 156.90(58) 4_565 1_555 1_555 C11 H51 H111 57.45(19) 1_565 1_555 4_565 C11 H51 C61 124.07(28) 1_565 1_555 4_565 C11 H51 H61 127.92(27) 1_565 1_555 4_565 C11 H51 N11 26.473(68) 1_565 1_555 1_565 C11 H51 H62 130.13(30) 1_565 1_555 3_665 C11 H51 C21 26.77(11) 1_565 1_555 1_565 C11 H51 H111 39.80(16) 1_565 1_555 1_565 C11 H51 C11 97.77(22) 1_565 1_555 4_565 C11 H51 N11 75.01(15) 1_565 1_555 4_565 C11 H51 H21 43.00(18) 1_565 1_555 1_565 C11 H51 H41 110.37(23) 1_565 1_555 1_555 C11 H51 H61 104.92(27) 1_565 1_555 1_555 C11 H51 H112 75.78(30) 1_565 1_555 4_565 C11 H51 C41 122.18(20) 1_565 1_555 1_555 C11 H51 C61 118.48(25) 1_565 1_555 1_555 C11 H51 C51 127.68(14) 1_565 1_555 1_555 C11 H61 C61 35.01(24) 1_555 1_555 1_555 C51 H61 C11 68.57(17) 1_555 1_555 1_555 C51 H61 C61 33.57(26) 1_555 1_555 1_555 H62 H61 C51 82.67(25) 3_665 1_555 1_555 H62 H61 C11 105.97(26) 3_665 1_555 1_555 H62 H61 C61 94.87(33) 3_665 1_555 1_555 H112 H61 H62 116.92(37) 1_555 1_555 3_665 H112 H61 C51 120.92(31) 1_555 1_555 1_555 H112 H61 C11 52.74(24) 1_555 1_555 1_555 H112 H61 C61 87.54(42) 1_555 1_555 1_555 H52 H61 H112 73.96(37) 2_555 1_555 1_555 H52 H61 H62 76.59(26) 2_555 1_555 3_665 H52 H61 C51 158.68(34) 2_555 1_555 1_555 H52 H61 C11 121.91(43) 2_555 1_555 1_555 H52 H61 C61 152.63(51) 2_555 1_555 1_555 H51 H61 H52 138.22(35) 1_555 1_555 2_555 H51 H61 H112 146.93(29) 1_555 1_555 1_555 H51 H61 H62 74.49(21) 1_555 1_555 3_665 H51 H61 C51 26.28(14) 1_555 1_555 1_555 H51 H61 C11 94.86(20) 1_555 1_555 1_555 H51 H61 C61 59.85(36) 1_555 1_555 1_555 H62 H61 H51 115.30(46) 2_555 1_555 1_555 H62 H61 H52 60.02(37) 2_555 1_555 2_555 H62 H61 H112 85.24(41) 2_555 1_555 1_555 H62 H61 H62 123.63(44) 2_555 1_555 3_665 H62 H61 C51 131.57(43) 2_555 1_555 1_555 H62 H61 C11 126.49(40) 2_555 1_555 1_555 H62 H61 C61 139.65(29) 2_555 1_555 1_555 H122 H61 H62 115.04(59) 3_665 1_555 2_555 H122 H61 H51 124.92(40) 3_665 1_555 1_555 H122 H61 H52 59.66(40) 3_665 1_555 2_555 H122 H61 H112 57.09(47) 3_665 1_555 1_555 H122 H61 H62 59.85(33) 3_665 1_555 3_665 H122 H61 C51 113.37(43) 3_665 1_555 1_555 H122 H61 C11 71.90(35) 3_665 1_555 1_555 H122 H61 C61 93.43(45) 3_665 1_555 1_555 N11 H61 H122 54.09(29) 1_555 1_555 3_665 N11 H61 H62 106.71(43) 1_555 1_555 2_555 N11 H61 H51 126.22(20) 1_555 1_555 1_555 N11 H61 H52 91.35(33) 1_555 1_555 2_555 N11 H61 H112 22.70(13) 1_555 1_555 1_555 N11 H61 H62 108.58(19) 1_555 1_555 3_665 N11 H61 C51 99.97(21) 1_555 1_555 1_555 N11 H61 C11 31.51(13) 1_555 1_555 1_555 N11 H61 C61 66.44(33) 1_555 1_555 1_555 C62 H61 N11 116.52(34) 2_555 1_555 1_555 C62 H61 H122 104.70(44) 2_555 1_555 3_665 C62 H61 H62 20.81(16) 2_555 1_555 2_555 C62 H61 H51 114.60(36) 2_555 1_555 1_555 C62 H61 H52 45.29(22) 2_555 1_555 2_555 C62 H61 H112 93.82(31) 2_555 1_555 1_555 C62 H61 H62 102.90(31) 2_555 1_555 3_665 C62 H61 C51 138.16(38) 2_555 1_555 1_555 C62 H61 C11 143.25(38) 2_555 1_555 1_555 C62 H61 C61 159.23(25) 2_555 1_555 1_555 C52 H61 C62 27.054(88) 2_555 1_555 2_555 C52 H61 N11 108.92(32) 2_555 1_555 1_555 C52 H61 H122 79.65(38) 2_555 1_555 3_665 C52 H61 H62 45.63(24) 2_555 1_555 2_555 C52 H61 H51 124.26(35) 2_555 1_555 1_555 C52 H61 H52 20.61(15) 2_555 1_555 2_555 C52 H61 H112 88.75(33) 2_555 1_555 1_555 C52 H61 H62 81.63(26) 2_555 1_555 3_665 C52 H61 C51 150.26(39) 2_555 1_555 1_555 C52 H61 C11 140.40(42) 2_555 1_555 1_555 C52 H61 C61 173.08(40) 2_555 1_555 1_555 H51 H61 C52 101.41(27) 4_465 1_555 2_555 H51 H61 C62 84.48(24) 4_465 1_555 2_555 H51 H61 N11 57.35(28) 4_465 1_555 1_555 H51 H61 H122 106.86(43) 4_465 1_555 3_665 H51 H61 H62 64.62(23) 4_465 1_555 2_555 H51 H61 H51 113.68(21) 4_465 1_555 1_555 H51 H61 H52 101.35(36) 4_465 1_555 2_555 H51 H61 H112 49.89(41) 4_465 1_555 1_555 H51 H61 H62 165.89(36) 4_465 1_555 3_665 H51 H61 C51 99.96(21) 4_465 1_555 1_555 H51 H61 C11 62.94(29) 4_465 1_555 1_555 H51 H61 C61 80.58(31) 4_465 1_555 1_555 H111 H61 H51 67.49(22) 1_565 1_555 4_465 H111 H61 C52 96.41(25) 1_565 1_555 2_555 H111 H61 C62 70.41(23) 1_565 1_555 2_555 H111 H61 N11 122.34(24) 1_565 1_555 1_555 H111 H61 H122 172.51(53) 1_565 1_555 3_665 H111 H61 H62 58.48(31) 1_565 1_555 2_555 H111 H61 H51 62.56(30) 1_565 1_555 1_555 H111 H61 H52 115.70(36) 1_565 1_555 2_555 H111 H61 H112 116.79(42) 1_565 1_555 1_555 H111 H61 H62 126.19(29) 1_565 1_555 3_665 H111 H61 C51 73.12(30) 1_565 1_555 1_555 H111 H61 C11 108.37(20) 1_565 1_555 1_555 H111 H61 C61 90.47(32) 1_565 1_555 1_555 H121 N12 H122 107.87(99) 1_555 1_555 1_555 C12 N12 H121 115.18(40) 1_555 1_555 1_555 C12 N12 H122 115.18(40) 1_555 1_555 1_555 H112 N12 C12 102.04(40) 2_554 1_555 1_555 H112 N12 H121 128.53(64) 2_554 1_555 1_555 H112 N12 H122 84.82(89) 2_554 1_555 1_555 C62 N12 H112 83.91(34) 1_555 1_555 2_554 C62 N12 C12 29.648(93) 1_555 1_555 1_555 C62 N12 H121 142.92(44) 1_555 1_555 1_555 C62 N12 H122 90.53(45) 1_555 1_555 1_555 C22 N12 C62 59.20(19) 1_555 1_555 1_555 C22 N12 H112 115.18(46) 1_555 1_555 2_554 C22 N12 C12 29.648(93) 1_555 1_555 1_555 C22 N12 H121 87.62(43) 1_555 1_555 1_555 C22 N12 H122 139.17(48) 1_555 1_555 1_555 H62 N12 C22 83.40(22) 1_555 1_555 1_555 H62 N12 C62 24.21(12) 1_555 1_555 1_555 H62 N12 H112 71.60(30) 1_555 1_555 2_554 H62 N12 C12 53.79(15) 1_555 1_555 1_555 H62 N12 H121 159.84(66) 1_555 1_555 1_555 H62 N12 H122 69.14(53) 1_555 1_555 1_555 H22 N12 H62 107.58(30) 1_555 1_555 1_555 H22 N12 C22 24.21(12) 1_555 1_555 1_555 H22 N12 C62 83.40(22) 1_555 1_555 1_555 H22 N12 H112 123.54(45) 1_555 1_555 2_554 H22 N12 C12 53.79(15) 1_555 1_555 1_555 H22 N12 H121 64.39(47) 1_555 1_555 1_555 H22 N12 H122 149.85(71) 1_555 1_555 1_555 H52 N12 H22 59.23(19) 1_565 1_555 1_555 H52 N12 H62 113.33(20) 1_565 1_555 1_555 H52 N12 C22 67.82(22) 1_565 1_555 1_555 H52 N12 C62 100.26(21) 1_565 1_555 1_555 H52 N12 H112 69.52(40) 1_565 1_555 2_554 H52 N12 C12 84.86(23) 1_565 1_555 1_555 H52 N12 H121 79.42(79) 1_565 1_555 1_555 H52 N12 H122 150.67(69) 1_565 1_555 1_555 H52 N12 H52 155.05(34) 4_555 1_555 1_565 H52 N12 H22 96.73(22) 4_555 1_555 1_555 H52 N12 H62 64.88(13) 4_555 1_555 1_555 H52 N12 C22 87.47(20) 4_555 1_555 1_555 H52 N12 C62 67.93(13) 4_555 1_555 1_555 H52 N12 H112 127.79(40) 4_555 1_555 2_554 H52 N12 C12 74.38(20) 4_555 1_555 1_555 H52 N12 H121 96.80(78) 4_555 1_555 1_555 H52 N12 H122 54.01(66) 4_555 1_555 1_555 N11 N12 H52 119.82(25) 2_554 1_555 4_555 N11 N12 H52 75.04(21) 2_554 1_555 1_565 N11 N12 H22 124.46(21) 2_554 1_555 1_555 N11 N12 H62 62.07(16) 2_554 1_555 1_555 N11 N12 C22 112.00(20) 2_554 1_555 1_555 N11 N12 C62 75.02(16) 2_554 1_555 1_555 N11 N12 H112 9.52(20) 2_554 1_555 2_554 N11 N12 C12 95.17(18) 2_554 1_555 1_555 N11 N12 H121 138.05(66) 2_554 1_555 1_555 N11 N12 H122 81.69(81) 2_554 1_555 1_555 C22 C12 N12 120.98(14) 1_555 1_555 1_555 C62 C12 C22 117.76(28) 1_555 1_555 1_555 C62 C12 N12 120.98(14) 1_555 1_555 1_555 H122 C12 C62 98.44(28) 1_555 1_555 1_555 H122 C12 C22 142.59(34) 1_555 1_555 1_555 H122 C12 N12 26.89(18) 1_555 1_555 1_555 H121 C12 H122 47.67(41) 1_555 1_555 1_555 H121 C12 C62 146.08(28) 1_555 1_555 1_555 H121 C12 C22 95.90(25) 1_555 1_555 1_555 H121 C12 N12 26.89(18) 1_555 1_555 1_555 H22 C12 H121 69.57(31) 1_555 1_555 1_555 H22 C12 H122 116.85(36) 1_555 1_555 1_555 H22 C12 C62 144.16(33) 1_555 1_555 1_555 H22 C12 C22 26.40(18) 1_555 1_555 1_555 H22 C12 N12 94.70(23) 1_555 1_555 1_555 H62 C12 H22 170.57(45) 1_555 1_555 1_555 H62 C12 H121 119.83(32) 1_555 1_555 1_555 H62 C12 H122 72.42(35) 1_555 1_555 1_555 H62 C12 C62 26.40(18) 1_555 1_555 1_555 H62 C12 C22 144.16(33) 1_555 1_555 1_555 H62 C12 N12 94.70(23) 1_555 1_555 1_555 C32 C12 H62 114.83(25) 1_555 1_555 1_555 C32 C12 H22 55.73(21) 1_555 1_555 1_555 C32 C12 H121 125.13(21) 1_555 1_555 1_555 C32 C12 H122 168.10(41) 1_555 1_555 1_555 C32 C12 C62 88.43(18) 1_555 1_555 1_555 C32 C12 C22 29.33(11) 1_555 1_555 1_555 C32 C12 N12 150.051(51) 1_555 1_555 1_555 C52 C12 C32 59.099(94) 1_555 1_555 1_555 C52 C12 H62 55.73(21) 1_555 1_555 1_555 C52 C12 H22 114.83(25) 1_555 1_555 1_555 C52 C12 H121 173.87(38) 1_555 1_555 1_555 C52 C12 H122 127.27(23) 1_555 1_555 1_555 C52 C12 C62 29.33(11) 1_555 1_555 1_555 C52 C12 C22 88.43(18) 1_555 1_555 1_555 C52 C12 N12 150.051(51) 1_555 1_555 1_555 C42 C12 C52 29.549(47) 1_555 1_555 1_555 C42 C12 C32 29.549(47) 1_555 1_555 1_555 C42 C12 H62 85.28(23) 1_555 1_555 1_555 C42 C12 H22 85.28(23) 1_555 1_555 1_555 C42 C12 H121 154.45(19) 1_555 1_555 1_555 C42 C12 H122 155.56(19) 1_555 1_555 1_555 C42 C12 C62 58.88(14) 1_555 1_555 1_555 C42 C12 C22 58.88(14) 1_555 1_555 1_555 C42 C12 N12 174.88(14) 1_555 1_555 1_555 H112 C12 C42 126.32(31) 2_554 1_555 1_555 H112 C12 C52 108.02(25) 2_554 1_555 1_555 H112 C12 C32 136.15(36) 2_554 1_555 1_555 H112 C12 H62 68.45(27) 2_554 1_555 1_555 H112 C12 H22 117.69(29) 2_554 1_555 1_555 H112 C12 H121 72.25(31) 2_554 1_555 1_555 H112 C12 H122 54.45(51) 2_554 1_555 1_555 H112 C12 C62 87.06(23) 2_554 1_555 1_555 H112 C12 C22 131.57(32) 2_554 1_555 1_555 H112 C12 N12 49.36(29) 2_554 1_555 1_555 H52 C12 H112 107.75(35) 4_555 1_555 2_554 H52 C12 C42 106.65(19) 4_555 1_555 1_555 H52 C12 C52 94.65(17) 4_555 1_555 1_555 H52 C12 C32 114.68(19) 4_555 1_555 1_555 H52 C12 H62 71.55(17) 4_555 1_555 1_555 H52 C12 H22 111.32(17) 4_555 1_555 1_555 H52 C12 H121 79.55(45) 4_555 1_555 1_555 H52 C12 H122 57.31(39) 4_555 1_555 1_555 H52 C12 C62 81.72(16) 4_555 1_555 1_555 H52 C12 C22 116.11(17) 4_555 1_555 1_555 H52 C12 N12 78.14(23) 4_555 1_555 1_555 H121 C12 H52 148.70(33) 4_465 1_555 4_555 H121 C12 H112 73.91(37) 4_465 1_555 2_554 H121 C12 C42 55.65(18) 4_465 1_555 1_555 H121 C12 C52 56.81(22) 4_465 1_555 1_555 H121 C12 C32 64.26(18) 4_465 1_555 1_555 H121 C12 H62 80.75(26) 4_465 1_555 1_555 H121 C12 H22 93.90(24) 4_465 1_555 1_555 H121 C12 H121 128.29(32) 4_465 1_555 1_555 H121 C12 H122 127.41(46) 4_465 1_555 1_555 H121 C12 C62 67.05(25) 4_465 1_555 1_555 H121 C12 C22 78.85(20) 4_465 1_555 1_555 H121 C12 N12 119.28(22) 4_465 1_555 1_555 H52 C12 H121 65.07(31) 1_565 1_555 4_465 H52 C12 H52 143.71(19) 1_565 1_555 4_555 H52 C12 H112 59.47(28) 1_565 1_555 2_554 H52 C12 C42 107.49(22) 1_565 1_555 1_555 H52 C12 C52 121.34(20) 1_565 1_555 1_555 H52 C12 C32 90.16(21) 1_565 1_555 1_555 H52 C12 H62 123.20(17) 1_565 1_555 1_555 H52 C12 H22 60.13(17) 1_565 1_555 1_555 H52 C12 H121 64.30(46) 1_565 1_555 1_555 H52 C12 H122 93.35(33) 1_565 1_555 1_555 H52 C12 C62 127.18(16) 1_565 1_555 1_555 H52 C12 C22 72.92(20) 1_565 1_555 1_555 H52 C12 N12 68.26(25) 1_565 1_555 1_555 C32 C22 H22 120.60(45) 1_555 1_555 1_555 C12 C22 C32 120.81(24) 1_555 1_555 1_555 C12 C22 H22 118.59(38) 1_555 1_555 1_555 H32 C22 C12 147.51(30) 1_555 1_555 1_555 H32 C22 C32 26.71(17) 1_555 1_555 1_555 H32 C22 H22 93.90(48) 1_555 1_555 1_555 C62 C22 H32 116.39(23) 1_555 1_555 1_555 C62 C22 C12 31.12(14) 1_555 1_555 1_555 C62 C22 C32 89.69(15) 1_555 1_555 1_555 C62 C22 H22 149.71(40) 1_555 1_555 1_555 C42 C22 C62 60.13(11) 1_555 1_555 1_555 C42 C22 H32 56.26(19) 1_555 1_555 1_555 C42 C22 C12 91.25(19) 1_555 1_555 1_555 C42 C22 C32 29.555(67) 1_555 1_555 1_555 C42 C22 H22 150.16(42) 1_555 1_555 1_555 N12 C22 C42 120.44(18) 1_555 1_555 1_555 N12 C22 C62 60.399(93) 1_555 1_555 1_555 N12 C22 H32 175.63(22) 1_555 1_555 1_555 N12 C22 C12 29.369(92) 1_555 1_555 1_555 N12 C22 C32 149.91(22) 1_555 1_555 1_555 N12 C22 H22 89.35(39) 1_555 1_555 1_555 H121 C22 N12 23.18(12) 1_555 1_555 1_555 H121 C22 C42 142.66(25) 1_555 1_555 1_555 H121 C22 C62 82.68(17) 1_555 1_555 1_555 H121 C22 H32 160.65(31) 1_555 1_555 1_555 H121 C22 C12 51.62(18) 1_555 1_555 1_555 H121 C22 C32 171.62(31) 1_555 1_555 1_555 H121 C22 H22 67.09(42) 1_555 1_555 1_555 C52 C22 H121 112.58(21) 1_555 1_555 1_555 C52 C22 N12 90.31(14) 1_555 1_555 1_555 C52 C22 C42 30.172(53) 1_555 1_555 1_555 C52 C22 C62 29.958(69) 1_555 1_555 1_555 C52 C22 H32 86.43(21) 1_555 1_555 1_555 C52 C22 C12 61.08(16) 1_555 1_555 1_555 C52 C22 C32 59.73(11) 1_555 1_555 1_555 C52 C22 H22 179.67(41) 1_555 1_555 1_555 H52 C22 C52 113.27(18) 1_565 1_555 1_555 H52 C22 H121 61.19(40) 1_565 1_555 1_555 H52 C22 N12 62.93(23) 1_565 1_555 1_555 H52 C22 C42 123.25(20) 1_565 1_555 1_555 H52 C22 C62 97.86(17) 1_565 1_555 1_555 H52 C22 H32 115.81(20) 1_565 1_555 1_555 H52 C22 C12 80.26(20) 1_565 1_555 1_555 H52 C22 C32 123.68(22) 1_565 1_555 1_555 H52 C22 H22 66.58(23) 1_565 1_555 1_555 H121 C22 H52 65.47(28) 4_465 1_555 1_565 H121 C22 C52 53.22(19) 4_465 1_555 1_555 H121 C22 H121 106.93(26) 4_465 1_555 1_555 H121 C22 N12 88.69(23) 4_465 1_555 1_555 H121 C22 C42 58.33(21) 4_465 1_555 1_555 H121 C22 C62 59.24(19) 4_465 1_555 1_555 H121 C22 H32 87.03(24) 4_465 1_555 1_555 H121 C22 C12 73.93(22) 4_465 1_555 1_555 H121 C22 C32 71.67(22) 4_465 1_555 1_555 H121 C22 H22 126.79(19) 4_465 1_555 1_555 C22 C32 H32 118.53(38) 1_555 1_555 1_555 C42 C32 C22 121.10(12) 1_555 1_555 1_555 C42 C32 H32 120.37(39) 1_555 1_555 1_555 H22 C32 C42 146.93(19) 1_555 1_555 1_555 H22 C32 C22 25.83(20) 1_555 1_555 1_555 H22 C32 H32 92.70(43) 1_555 1_555 1_555 H42 C32 H22 172.58(22) 1_555 1_555 1_555 H42 C32 C42 25.648(74) 1_555 1_555 1_555 H42 C32 C22 146.75(14) 1_555 1_555 1_555 H42 C32 H32 94.72(40) 1_555 1_555 1_555 C52 C32 H42 56.435(81) 1_555 1_555 1_555 C52 C32 H22 116.14(20) 1_555 1_555 1_555 C52 C32 C42 30.788(84) 1_555 1_555 1_555 C52 C32 C22 90.31(15) 1_555 1_555 1_555 C52 C32 H32 151.16(40) 1_555 1_555 1_555 C12 C32 C52 60.451(47) 1_555 1_555 1_555 C12 C32 H42 116.89(10) 1_555 1_555 1_555 C12 C32 H22 55.69(19) 1_555 1_555 1_555 C12 C32 C42 91.238(97) 1_555 1_555 1_555 C12 C32 C22 29.86(15) 1_555 1_555 1_555 C12 C32 H32 148.39(41) 1_555 1_555 1_555 C62 C32 C12 30.493(70) 1_555 1_555 1_555 C62 C32 C52 29.958(69) 1_555 1_555 1_555 C62 C32 H42 86.39(13) 1_555 1_555 1_555 C62 C32 H22 86.19(23) 1_555 1_555 1_555 C62 C32 C42 60.75(14) 1_555 1_555 1_555 C62 C32 C22 60.36(20) 1_555 1_555 1_555 C62 C32 H32 178.88(43) 1_555 1_555 1_555 H121 C32 C62 57.61(20) 4_465 1_555 1_555 H121 C32 C12 66.77(26) 4_465 1_555 1_555 H121 C32 C52 57.99(19) 4_465 1_555 1_555 H121 C32 H42 80.47(28) 4_465 1_555 1_555 H121 C32 H22 95.53(30) 4_465 1_555 1_555 H121 C32 C42 67.85(25) 4_465 1_555 1_555 H121 C32 C22 81.37(29) 4_465 1_555 1_555 H121 C32 H32 122.56(20) 4_465 1_555 1_555 H21 C32 H121 140.30(32) 4_455 1_555 4_465 H21 C32 C62 139.82(19) 4_455 1_555 1_555 H21 C32 C12 150.12(20) 4_455 1_555 1_555 H21 C32 C52 117.16(14) 4_455 1_555 1_555 H21 C32 H42 68.75(13) 4_455 1_555 1_555 H21 C32 H22 117.47(21) 4_455 1_555 1_555 H21 C32 C42 90.83(15) 4_455 1_555 1_555 H21 C32 C22 137.34(19) 4_455 1_555 1_555 H21 C32 H32 40.90(32) 4_455 1_555 1_555 H22 C32 H21 99.14(16) 4_465 1_555 4_455 H22 C32 H121 47.03(25) 4_465 1_555 4_465 H22 C32 C62 104.00(18) 4_465 1_555 1_555 H22 C32 C12 110.68(17) 4_465 1_555 1_555 H22 C32 C52 93.85(16) 4_465 1_555 1_555 H22 C32 H42 74.37(13) 4_465 1_555 1_555 H22 C32 H22 107.50(12) 4_465 1_555 1_555 H22 C32 C42 82.49(14) 4_465 1_555 1_555 H22 C32 C22 111.56(14) 4_465 1_555 1_555 H22 C32 H32 76.33(22) 4_465 1_555 1_555 H31 C32 H22 42.22(18) 1_455 1_555 4_465 H31 C32 H21 58.20(16) 1_455 1_555 4_455 H31 C32 H121 83.42(27) 1_455 1_555 4_465 H31 C32 C62 128.71(16) 1_455 1_555 1_555 H31 C32 C12 150.12(14) 1_455 1_555 1_555 H31 C32 C52 102.64(15) 1_455 1_555 1_555 H31 C32 H42 52.69(18) 1_455 1_555 1_555 H31 C32 H22 133.39(22) 1_455 1_555 1_555 H31 C32 C42 75.01(17) 1_455 1_555 1_555 H31 C32 C22 150.63(18) 1_455 1_555 1_555 H31 C32 H32 52.22(42) 1_455 1_555 1_555 C52 C42 H42 120.788(84) 1_555 1_555 1_555 C32 C42 C52 118.42(17) 1_555 1_555 1_555 C32 C42 H42 120.788(84) 1_555 1_555 1_555 H32 C42 C32 25.82(18) 1_555 1_555 1_555 H32 C42 C52 144.25(24) 1_555 1_555 1_555 H32 C42 H42 94.97(20) 1_555 1_555 1_555 H52 C42 H32 170.07(39) 1_555 1_555 1_555 H52 C42 C32 144.25(24) 1_555 1_555 1_555 H52 C42 C52 25.82(18) 1_555 1_555 1_555 H52 C42 H42 94.97(20) 1_555 1_555 1_555 C62 C42 H52 55.16(18) 1_555 1_555 1_555 C62 C42 H32 114.90(26) 1_555 1_555 1_555 C62 C42 C32 89.08(18) 1_555 1_555 1_555 C62 C42 C52 29.342(66) 1_555 1_555 1_555 C62 C42 H42 150.13(11) 1_555 1_555 1_555 C22 C42 C62 59.74(21) 1_555 1_555 1_555 C22 C42 H52 114.90(26) 1_555 1_555 1_555 C22 C42 H32 55.16(18) 1_555 1_555 1_555 C22 C42 C32 29.342(66) 1_555 1_555 1_555 C22 C42 C52 89.08(18) 1_555 1_555 1_555 C22 C42 H42 150.13(11) 1_555 1_555 1_555 H121 C42 C22 72.02(34) 4_465 1_555 1_555 H121 C42 C62 64.29(25) 4_465 1_555 1_555 H121 C42 H52 80.66(25) 4_465 1_555 1_555 H121 C42 H32 95.05(27) 4_465 1_555 1_555 H121 C42 C32 83.61(31) 4_465 1_555 1_555 H121 C42 C52 70.91(21) 4_465 1_555 1_555 H121 C42 H42 115.35(32) 4_465 1_555 1_555 C12 C42 H121 64.65(32) 1_555 1_555 4_465 C12 C42 C22 29.87(11) 1_555 1_555 1_555 C12 C42 C62 29.87(11) 1_555 1_555 1_555 C12 C42 H52 85.03(20) 1_555 1_555 1_555 C12 C42 H32 85.03(20) 1_555 1_555 1_555 C12 C42 C32 59.212(84) 1_555 1_555 1_555 C12 C42 C52 59.212(84) 1_555 1_555 1_555 C12 C42 H42 180.000000000000(18) 1_555 1_555 1_555 H31 C42 C12 106.75(14) 4_455 1_555 1_555 H31 C42 H121 170.63(39) 4_455 1_555 4_465 H31 C42 C22 98.68(13) 4_455 1_555 1_555 H31 C42 C62 110.41(17) 4_455 1_555 1_555 H31 C42 H52 102.87(22) 4_455 1_555 1_555 H31 C42 H32 80.05(13) 4_455 1_555 1_555 H31 C42 C32 88.68(14) 4_455 1_555 1_555 H31 C42 C52 108.54(19) 4_455 1_555 1_555 H31 C42 H42 73.25(14) 4_455 1_555 1_555 H22 C42 H31 43.34(21) 1_545 1_555 4_455 H22 C42 C12 107.29(22) 1_545 1_555 1_555 H22 C42 H121 140.71(25) 1_545 1_555 4_465 H22 C42 C22 121.33(20) 1_545 1_555 1_555 H22 C42 C62 89.75(21) 1_545 1_555 1_555 H22 C42 H52 60.08(17) 1_545 1_555 1_555 H22 C42 H32 123.38(19) 1_545 1_555 1_555 H22 C42 C32 127.19(16) 1_545 1_555 1_555 H22 C42 C52 72.53(19) 1_545 1_555 1_555 H22 C42 H42 72.71(22) 1_545 1_555 1_555 H31 C42 H22 118.66(21) 1_455 1_555 1_545 H31 C42 H31 96.06(19) 1_455 1_555 4_455 H31 C42 C12 131.03(18) 1_455 1_555 1_555 H31 C42 H121 87.74(25) 1_455 1_555 4_465 H31 C42 C22 105.39(22) 1_455 1_555 1_555 H31 C42 C62 150.81(15) 1_455 1_555 1_555 H31 C42 H52 131.65(16) 1_455 1_555 1_555 H31 C42 H32 56.57(30) 1_455 1_555 1_555 H31 C42 C32 79.16(21) 1_455 1_555 1_555 H31 C42 C52 149.32(15) 1_455 1_555 1_555 H31 C42 H42 48.97(18) 1_455 1_555 1_555 C62 C52 H52 118.53(38) 1_555 1_555 1_555 C42 C52 C62 121.10(12) 1_555 1_555 1_555 C42 C52 H52 120.37(39) 1_555 1_555 1_555 H62 C52 C42 146.93(19) 1_555 1_555 1_555 H62 C52 C62 25.83(20) 1_555 1_555 1_555 H62 C52 H52 92.70(43) 1_555 1_555 1_555 H42 C52 H62 172.58(22) 1_555 1_555 1_555 H42 C52 C42 25.648(74) 1_555 1_555 1_555 H42 C52 C62 146.75(14) 1_555 1_555 1_555 H42 C52 H52 94.72(40) 1_555 1_555 1_555 C32 C52 H42 56.435(81) 1_555 1_555 1_555 C32 C52 H62 116.14(20) 1_555 1_555 1_555 C32 C52 C42 30.788(84) 1_555 1_555 1_555 C32 C52 C62 90.31(15) 1_555 1_555 1_555 C32 C52 H52 151.16(40) 1_555 1_555 1_555 C12 C52 C32 60.451(47) 1_555 1_555 1_555 C12 C52 H42 116.89(10) 1_555 1_555 1_555 C12 C52 H62 55.69(19) 1_555 1_555 1_555 C12 C52 C42 91.238(97) 1_555 1_555 1_555 C12 C52 C62 29.86(15) 1_555 1_555 1_555 C12 C52 H52 148.39(41) 1_555 1_555 1_555 H121 C52 C12 71.90(35) 4_465 1_555 1_555 H121 C52 C32 70.76(27) 4_465 1_555 1_555 H121 C52 H42 87.69(24) 4_465 1_555 1_555 H121 C52 H62 89.56(26) 4_465 1_555 1_555 H121 C52 C42 78.70(22) 4_465 1_555 1_555 H121 C52 C62 80.30(31) 4_465 1_555 1_555 H121 C52 H52 111.77(34) 4_465 1_555 1_555 C22 C52 H121 68.25(34) 1_555 1_555 4_465 C22 C52 C12 30.493(70) 1_555 1_555 1_555 C22 C52 C32 29.958(69) 1_555 1_555 1_555 C22 C52 H42 86.39(13) 1_555 1_555 1_555 C22 C52 H62 86.19(23) 1_555 1_555 1_555 C22 C52 C42 60.75(14) 1_555 1_555 1_555 C22 C52 C62 60.36(20) 1_555 1_555 1_555 C22 C52 H52 178.88(43) 1_555 1_555 1_555 H61 C52 C22 126.63(19) 2_544 1_555 1_555 H61 C52 H121 75.92(30) 2_544 1_555 4_465 H61 C52 C12 101.55(19) 2_544 1_555 1_555 H61 C52 C32 145.66(24) 2_544 1_555 1_555 H61 C52 H42 130.90(19) 2_544 1_555 1_555 H61 C52 H62 54.73(24) 2_544 1_555 1_555 H61 C52 C42 146.22(21) 2_544 1_555 1_555 H61 C52 C62 75.97(23) 2_544 1_555 1_555 H61 C52 H52 52.51(39) 2_544 1_555 1_555 H22 C52 H61 115.78(31) 1_545 1_555 2_544 H22 C52 C22 113.36(18) 1_545 1_555 1_555 H22 C52 H121 154.92(38) 1_545 1_555 4_465 H22 C52 C12 123.13(19) 1_545 1_555 1_555 H22 C52 C32 98.15(18) 1_545 1_555 1_555 H22 C52 H42 67.79(23) 1_545 1_555 1_555 H22 C52 H62 115.42(19) 1_545 1_555 1_555 H22 C52 C42 80.88(20) 1_545 1_555 1_555 H22 C52 C62 123.17(23) 1_545 1_555 1_555 H22 C52 H52 67.14(22) 1_545 1_555 1_555 H121 C52 H22 46.26(24) 1_545 1_555 1_545 H121 C52 H61 86.99(25) 1_545 1_555 2_544 H121 C52 C22 113.86(16) 1_545 1_555 1_555 H121 C52 H121 158.14(35) 1_545 1_555 4_465 H121 C52 C12 98.91(17) 1_545 1_555 1_555 H121 C52 C32 122.76(17) 1_545 1_555 1_555 H121 C52 H42 113.98(20) 1_545 1_555 1_555 H121 C52 H62 69.26(22) 1_545 1_555 1_555 H121 C52 C42 122.06(19) 1_545 1_555 1_555 H121 C52 C62 82.43(21) 1_545 1_555 1_555 H121 C52 H52 65.68(23) 1_545 1_555 1_555 C52 C62 H62 120.60(45) 1_555 1_555 1_555 C12 C62 C52 120.81(24) 1_555 1_555 1_555 C12 C62 H62 118.59(38) 1_555 1_555 1_555 H52 C62 C12 147.51(30) 1_555 1_555 1_555 H52 C62 C52 26.71(17) 1_555 1_555 1_555 H52 C62 H62 93.90(48) 1_555 1_555 1_555 C22 C62 H52 116.39(23) 1_555 1_555 1_555 C22 C62 C12 31.12(14) 1_555 1_555 1_555 C22 C62 C52 89.69(15) 1_555 1_555 1_555 C22 C62 H62 149.71(40) 1_555 1_555 1_555 C42 C62 C22 60.13(11) 1_555 1_555 1_555 C42 C62 H52 56.26(19) 1_555 1_555 1_555 C42 C62 C12 91.25(19) 1_555 1_555 1_555 C42 C62 C52 29.555(67) 1_555 1_555 1_555 C42 C62 H62 150.16(42) 1_555 1_555 1_555 N12 C62 C42 120.44(18) 1_555 1_555 1_555 N12 C62 C22 60.399(93) 1_555 1_555 1_555 N12 C62 H52 175.63(22) 1_555 1_555 1_555 N12 C62 C12 29.369(92) 1_555 1_555 1_555 N12 C62 C52 149.91(22) 1_555 1_555 1_555 N12 C62 H62 89.35(39) 1_555 1_555 1_555 H122 C62 N12 22.75(12) 1_555 1_555 1_555 H122 C62 C42 140.19(29) 1_555 1_555 1_555 H122 C62 C22 80.73(20) 1_555 1_555 1_555 H122 C62 H52 161.45(29) 1_555 1_555 1_555 H122 C62 C12 49.94(20) 1_555 1_555 1_555 H122 C62 C52 167.81(34) 1_555 1_555 1_555 H122 C62 H62 69.25(44) 1_555 1_555 1_555 H121 C62 H122 113.60(36) 4_465 1_555 1_555 H121 C62 N12 95.58(31) 4_465 1_555 1_555 H121 C62 C42 62.87(20) 4_465 1_555 1_555 H121 C62 C22 71.55(29) 4_465 1_555 1_555 H121 C62 H52 80.35(31) 4_465 1_555 1_555 H121 C62 C12 84.66(34) 4_465 1_555 1_555 H121 C62 C52 69.77(26) 4_465 1_555 1_555 H121 C62 H62 116.54(23) 4_465 1_555 1_555 C32 C62 H121 63.51(22) 1_555 1_555 4_465 C32 C62 H122 110.42(24) 1_555 1_555 1_555 C32 C62 N12 90.31(14) 1_555 1_555 1_555 C32 C62 C42 30.172(53) 1_555 1_555 1_555 C32 C62 C22 29.958(69) 1_555 1_555 1_555 C32 C62 H52 86.43(21) 1_555 1_555 1_555 C32 C62 C12 61.08(16) 1_555 1_555 1_555 C32 C62 C52 59.73(11) 1_555 1_555 1_555 C32 C62 H62 179.67(41) 1_555 1_555 1_555 H61 C62 C32 126.97(18) 2_544 1_555 1_555 H61 C62 H121 74.25(31) 2_544 1_555 4_465 H61 C62 H122 115.14(34) 2_544 1_555 1_555 H61 C62 N12 125.57(21) 2_544 1_555 1_555 H61 C62 C42 102.26(18) 2_544 1_555 1_555 H61 C62 C22 145.76(24) 2_544 1_555 1_555 H61 C62 H52 55.01(26) 2_544 1_555 1_555 H61 C62 C12 145.74(26) 2_544 1_555 1_555 H61 C62 C52 76.98(20) 2_544 1_555 1_555 H61 C62 H62 53.28(34) 2_544 1_555 1_555 H52 C62 H61 127.93(33) 4_555 1_555 2_544 H52 C62 C32 101.30(23) 4_555 1_555 1_555 H52 C62 H121 155.64(47) 4_555 1_555 4_465 H52 C62 H122 51.40(34) 4_555 1_555 1_555 H52 C62 N12 64.17(23) 4_555 1_555 1_555 H52 C62 C42 114.21(20) 4_555 1_555 1_555 H52 C62 C22 86.02(23) 4_555 1_555 1_555 H52 C62 H52 119.35(23) 4_555 1_555 1_555 H52 C62 C12 71.07(24) 4_555 1_555 1_555 H52 C62 C52 120.82(19) 4_555 1_555 1_555 H52 C62 H62 78.54(28) 4_555 1_555 1_555 H112 C62 H52 98.15(30) 2_554 1_555 4_555 H112 C62 H61 81.85(21) 2_554 1_555 2_544 H112 C62 C32 112.54(29) 2_554 1_555 1_555 H112 C62 H121 73.01(39) 2_554 1_555 4_465 H112 C62 H122 47.32(39) 2_554 1_555 1_555 H112 C62 N12 44.93(20) 2_554 1_555 1_555 H112 C62 C42 132.10(33) 2_554 1_555 1_555 H112 C62 C22 89.73(23) 2_554 1_555 1_555 H112 C62 H52 134.19(26) 2_554 1_555 1_555 H112 C62 C12 66.11(21) 2_554 1_555 1_555 H112 C62 C52 140.88(31) 2_554 1_555 1_555 H112 C62 H62 67.22(39) 2_554 1_555 1_555 H122 H121 N12 36.06(49) 1_555 1_555 1_555 C12 H121 H122 66.17(21) 1_555 1_555 1_555 C12 H121 N12 37.92(25) 1_555 1_555 1_555 H22 H121 C12 57.17(24) 1_555 1_555 1_555 H22 H121 H122 122.89(19) 1_555 1_555 1_555 H22 H121 N12 92.94(49) 1_555 1_555 1_555 C52 H121 H22 107.78(30) 4_565 1_555 1_555 C52 H121 C12 159.61(48) 4_565 1_555 1_555 C52 H121 H122 124.59(56) 4_565 1_555 1_555 C52 H121 N12 159.18(69) 4_565 1_555 1_555 C22 H121 C52 131.02(31) 1_555 1_555 4_565 C22 H121 H22 24.73(13) 1_555 1_555 1_555 C22 H121 C12 32.48(15) 1_555 1_555 1_555 C22 H121 H122 98.25(16) 1_555 1_555 1_555 C22 H121 N12 69.20(38) 1_555 1_555 1_555 C42 H121 C22 100.72(27) 4_565 1_555 1_555 C42 H121 C52 30.390(85) 4_565 1_555 4_565 C42 H121 H22 78.35(25) 4_565 1_555 1_555 C42 H121 C12 130.41(37) 4_565 1_555 1_555 C42 H121 H122 144.44(81) 4_565 1_555 1_555 C42 H121 N12 167.04(74) 4_565 1_555 1_555 C62 H121 C42 52.84(16) 4_565 1_555 4_565 C62 H121 C22 144.08(46) 4_565 1_555 1_555 C62 H121 C52 29.93(11) 4_565 1_555 4_565 C62 H121 H22 128.81(32) 4_565 1_555 1_555 C62 H121 C12 147.45(76) 4_565 1_555 1_555 C62 H121 H122 95.62(58) 4_565 1_555 1_555 C62 H121 N12 131.63(82) 4_565 1_555 1_555 H52 H121 C62 137.12(47) 1_565 1_555 4_565 H52 H121 C42 103.83(43) 1_565 1_555 4_565 H52 H121 C22 65.87(33) 1_565 1_555 1_555 H52 H121 C52 111.22(48) 1_565 1_555 4_565 H52 H121 H22 61.93(35) 1_565 1_555 1_555 H52 H121 C12 75.40(39) 1_565 1_555 1_555 H52 H121 H122 111.33(59) 1_565 1_555 1_555 H52 H121 N12 79.92(74) 1_565 1_555 1_555 C32 H121 H52 119.90(38) 4_565 1_555 1_565 C32 H121 C62 58.88(23) 4_565 1_555 4_565 C32 H121 C42 28.54(10) 4_565 1_555 4_565 C32 H121 C22 86.28(26) 4_565 1_555 1_555 C32 H121 C52 51.25(17) 4_565 1_555 4_565 C32 H121 H22 70.99(23) 4_565 1_555 1_555 C32 H121 C12 108.46(40) 4_565 1_555 1_555 C32 H121 H122 125.20(82) 4_565 1_555 1_555 C32 H121 N12 139.24(83) 4_565 1_555 1_555 C12 H121 C32 48.97(21) 4_565 1_555 4_565 C12 H121 H52 162.21(36) 4_565 1_555 1_565 C12 H121 C62 28.29(16) 4_565 1_555 4_565 C12 H121 C42 59.70(23) 4_565 1_555 4_565 C12 H121 C22 121.00(48) 4_565 1_555 1_555 C12 H121 C52 51.29(21) 4_565 1_555 4_565 C12 H121 H22 116.49(41) 4_565 1_555 1_555 C12 H121 C12 119.72(63) 4_565 1_555 1_555 C12 H121 H122 84.75(67) 4_565 1_555 1_555 C12 H121 N12 117.66(93) 4_565 1_555 1_555 H112 H121 C12 131.90(47) 2_554 1_555 4_565 H112 H121 C32 174.76(52) 2_554 1_555 4_565 H112 H121 H52 60.71(40) 2_554 1_555 1_565 H112 H121 C62 124.75(48) 2_554 1_555 4_565 H112 H121 C42 156.18(65) 2_554 1_555 4_565 H112 H121 C22 89.48(40) 2_554 1_555 1_555 H112 H121 C52 133.91(56) 2_554 1_555 4_565 H112 H121 H22 106.01(49) 2_554 1_555 1_555 H112 H121 C12 66.41(30) 2_554 1_555 1_555 H112 H121 H122 52.44(55) 2_554 1_555 1_555 H112 H121 N12 35.74(46) 2_554 1_555 1_555 C22 H121 H112 151.24(55) 4_565 1_555 2_554 C22 H121 C12 27.22(15) 4_565 1_555 4_565 C22 H121 C32 26.96(12) 4_565 1_555 4_565 C22 H121 H52 146.24(35) 4_565 1_555 1_565 C22 H121 C62 49.21(27) 4_565 1_555 4_565 C22 H121 C42 49.65(19) 4_565 1_555 4_565 C22 H121 C22 95.82(36) 4_565 1_555 1_555 C22 H121 C52 58.53(24) 4_565 1_555 4_565 C22 H121 H22 89.31(33) 4_565 1_555 1_555 C22 H121 C12 104.84(51) 4_565 1_555 1_555 C22 H121 H122 98.80(75) 4_565 1_555 1_555 C22 H121 N12 121.50(93) 4_565 1_555 1_555 H62 H121 C22 134.59(27) 1_565 1_555 4_565 H62 H121 H112 66.14(41) 1_565 1_555 2_554 H62 H121 C12 120.33(30) 1_565 1_555 4_565 H62 H121 C32 118.49(30) 1_565 1_555 4_565 H62 H121 H52 48.43(32) 1_565 1_555 1_565 H62 H121 C62 92.08(31) 1_565 1_555 4_565 H62 H121 C42 90.05(33) 1_565 1_555 4_565 H62 H121 C22 114.00(53) 1_565 1_555 1_555 H62 H121 C52 76.11(31) 1_565 1_555 4_565 H62 H121 H22 103.57(50) 1_565 1_555 1_555 H62 H121 C12 118.85(58) 1_565 1_555 1_555 H62 H121 H122 109.18(49) 1_565 1_555 1_555 H62 H121 N12 101.41(78) 1_565 1_555 1_555 C52 H121 H62 40.37(23) 1_565 1_555 1_565 C52 H121 C22 131.71(26) 1_565 1_555 4_565 C52 H121 H112 76.99(44) 1_565 1_555 2_554 C52 H121 C12 141.88(28) 1_565 1_555 4_565 C52 H121 C32 104.87(29) 1_565 1_555 4_565 C52 H121 H52 20.32(14) 1_565 1_555 1_565 C52 H121 C62 118.79(36) 1_565 1_555 4_565 C52 H121 C42 84.68(32) 1_565 1_555 4_565 C52 H121 C22 75.76(34) 1_565 1_555 1_555 C52 H121 C52 91.24(36) 1_565 1_555 4_565 C52 H121 H22 63.28(33) 1_565 1_555 1_555 C52 H121 C12 92.91(46) 1_565 1_555 1_555 C52 H121 H122 129.32(66) 1_565 1_555 1_555 C52 H121 N12 100.09(84) 1_565 1_555 1_555 H52 H121 C52 77.30(32) 4_565 1_555 1_565 H52 H121 H62 57.52(25) 4_565 1_555 1_565 H52 H121 C22 77.15(22) 4_565 1_555 4_565 H52 H121 H112 117.52(53) 4_565 1_555 2_554 H52 H121 C12 67.37(21) 4_565 1_555 4_565 H52 H121 C32 67.72(17) 4_565 1_555 4_565 H52 H121 H52 96.11(41) 4_565 1_555 1_565 H52 H121 C62 41.49(15) 4_565 1_555 4_565 H52 H121 C42 42.21(15) 4_565 1_555 4_565 H52 H121 C22 135.80(41) 4_565 1_555 1_555 H52 H121 C52 18.62(10) 4_565 1_555 4_565 H52 H121 H22 111.09(38) 4_565 1_555 1_555 H52 H121 C12 167.69(56) 4_565 1_555 1_555 H52 H121 H122 125.89(35) 4_565 1_555 1_555 H52 H121 N12 150.52(61) 4_565 1_555 1_555 H121 H122 N12 36.06(49) 1_555 1_555 1_555 C12 H122 H121 66.17(21) 1_555 1_555 1_555 C12 H122 N12 37.92(25) 1_555 1_555 1_555 H112 H122 C12 80.29(52) 2_554 1_555 1_555 H112 H122 H121 93.54(63) 2_554 1_555 1_555 H112 H122 N12 69.41(76) 2_554 1_555 1_555 N11 H122 H112 99.53(67) 3_664 1_555 2_554 N11 H122 C12 171.64(48) 3_664 1_555 1_555 N11 H122 H121 122.11(40) 3_664 1_555 1_555 N11 H122 N12 149.71(65) 3_664 1_555 1_555 H112 H122 N11 24.89(19) 3_664 1_555 3_664 H112 H122 H112 124.11(77) 3_664 1_555 2_554 H112 H122 C12 152.94(67) 3_664 1_555 1_555 H112 H122 H121 118.06(65) 3_664 1_555 1_555 H112 H122 N12 154.11(87) 3_664 1_555 1_555 H62 H122 H112 116.19(33) 1_555 1_555 3_664 H62 H122 N11 116.22(43) 1_555 1_555 3_664 H62 H122 H112 72.76(48) 1_555 1_555 2_554 H62 H122 C12 55.64(24) 1_555 1_555 1_555 H62 H122 H121 121.53(22) 1_555 1_555 1_555 H62 H122 N12 88.17(53) 1_555 1_555 1_555 H52 H122 H62 74.71(27) 4_555 1_555 1_555 H52 H122 H112 74.08(44) 4_555 1_555 3_664 H52 H122 N11 97.53(48) 4_555 1_555 3_664 H52 H122 H112 147.31(62) 4_555 1_555 2_554 H52 H122 C12 78.88(39) 4_555 1_555 1_555 H52 H122 H121 100.67(71) 4_555 1_555 1_555 H52 H122 N12 106.56(75) 4_555 1_555 1_555 H61 H122 H52 58.18(35) 3_664 1_555 4_555 H61 H122 H62 57.34(32) 3_664 1_555 1_555 H61 H122 H112 58.87(34) 3_664 1_555 3_664 H61 H122 N11 65.14(31) 3_664 1_555 3_664 H61 H122 H112 105.14(61) 3_664 1_555 2_554 H61 H122 C12 106.75(39) 3_664 1_555 1_555 H61 H122 H121 158.83(81) 3_664 1_555 1_555 H61 H122 N12 144.09(62) 3_664 1_555 1_555 C62 H122 H61 77.44(34) 1_555 1_555 3_664 C62 H122 H52 72.41(26) 1_555 1_555 4_555 C62 H122 H62 24.21(13) 1_555 1_555 1_555 C62 H122 H112 134.51(33) 1_555 1_555 3_664 C62 H122 N11 140.11(44) 1_555 1_555 3_664 C62 H122 H112 76.62(49) 1_555 1_555 2_554 C62 H122 C12 31.62(15) 1_555 1_555 1_555 C62 H122 H121 97.78(17) 1_555 1_555 1_555 C62 H122 N12 66.71(39) 1_555 1_555 1_555 C11 H122 C62 111.83(41) 3_664 1_555 1_555 C11 H122 H61 47.30(22) 3_664 1_555 3_664 C11 H122 H52 99.45(42) 3_664 1_555 4_555 C11 H122 H62 87.62(37) 3_664 1_555 1_555 C11 H122 H112 45.99(27) 3_664 1_555 3_664 C11 H122 N11 30.04(14) 3_664 1_555 3_664 C11 H122 H112 82.43(58) 3_664 1_555 2_554 C11 H122 C12 142.63(54) 3_664 1_555 1_555 C11 H122 H121 148.09(26) 3_664 1_555 1_555 C11 H122 N12 151.5(11) 3_664 1_555 1_555 C61 H122 C11 28.94(14) 3_664 1_555 3_664 C61 H122 C62 85.24(34) 3_664 1_555 1_555 C61 H122 H61 22.54(13) 3_664 1_555 3_664 C61 H122 H52 80.64(37) 3_664 1_555 4_555 C61 H122 H62 61.44(30) 3_664 1_555 1_555 C61 H122 H112 59.53(30) 3_664 1_555 3_664 C61 H122 N11 54.88(24) 3_664 1_555 3_664 C61 H122 H112 86.71(55) 3_664 1_555 2_554 C61 H122 C12 116.86(41) 3_664 1_555 1_555 C61 H122 H121 176.95(24) 3_664 1_555 1_555 C61 H122 N12 146.28(90) 3_664 1_555 1_555 N11 H122 C61 73.99(37) 2_554 1_555 3_664 N11 H122 C11 73.39(38) 2_554 1_555 3_664 N11 H122 C62 72.01(33) 2_554 1_555 1_555 N11 H122 H61 91.81(45) 2_554 1_555 3_664 N11 H122 H52 137.49(44) 2_554 1_555 4_555 N11 H122 H62 63.32(33) 2_554 1_555 1_555 N11 H122 H112 118.09(54) 2_554 1_555 3_664 N11 H122 N11 95.05(48) 2_554 1_555 3_664 N11 H122 H112 13.37(23) 2_554 1_555 2_554 N11 H122 C12 82.89(41) 2_554 1_555 1_555 N11 H122 H121 106.46(61) 2_554 1_555 1_555 N11 H122 N12 79.55(76) 2_554 1_555 1_555 H111 H122 N11 18.56(13) 2_554 1_555 2_554 H111 H122 C61 55.48(28) 2_554 1_555 3_664 H111 H122 C11 58.41(35) 2_554 1_555 3_664 H111 H122 C62 71.80(41) 2_554 1_555 1_555 H111 H122 H61 73.55(37) 2_554 1_555 3_664 H111 H122 H52 124.48(47) 2_554 1_555 4_555 H111 H122 H62 55.95(38) 2_554 1_555 1_555 H111 H122 H112 104.38(50) 2_554 1_555 3_664 H111 H122 N11 84.37(47) 2_554 1_555 3_664 H111 H122 H112 31.67(33) 2_554 1_555 2_554 H111 H122 C12 91.44(49) 2_554 1_555 1_555 H111 H122 H121 125.02(66) 2_554 1_555 1_555 H111 H122 N12 96.42(83) 2_554 1_555 1_555 H111 H122 H111 87.32(45) 3_664 1_555 2_554 H111 H122 N11 94.52(45) 3_664 1_555 2_554 H111 H122 C61 66.21(30) 3_664 1_555 3_664 H111 H122 C11 39.27(23) 3_664 1_555 3_664 H111 H122 C62 151.06(43) 3_664 1_555 1_555 H111 H122 H61 77.53(37) 3_664 1_555 3_664 H111 H122 H52 105.79(48) 3_664 1_555 4_555 H111 H122 H62 126.85(43) 3_664 1_555 1_555 H111 H122 H112 31.73(31) 3_664 1_555 3_664 H111 H122 N11 12.40(23) 3_664 1_555 3_664 H111 H122 H112 96.22(65) 3_664 1_555 2_554 H111 H122 C12 175.01(54) 3_664 1_555 1_555 H111 H122 H121 110.74(31) 3_664 1_555 1_555 H111 H122 N12 137.45(56) 3_664 1_555 1_555 C12 H22 C22 35.01(24) 1_555 1_555 1_555 C32 H22 C12 68.57(17) 1_555 1_555 1_555 C32 H22 C22 33.57(26) 1_555 1_555 1_555 H31 H22 C32 116.88(42) 4_465 1_555 1_555 H31 H22 C12 168.72(38) 4_465 1_555 1_555 H31 H22 C22 149.44(58) 4_465 1_555 1_555 H121 H22 H31 119.68(33) 1_555 1_555 4_465 H121 H22 C32 121.67(30) 1_555 1_555 1_555 H121 H22 C12 53.26(24) 1_555 1_555 1_555 H121 H22 C22 88.18(42) 1_555 1_555 1_555 H32 H22 H121 147.84(28) 1_555 1_555 1_555 H32 H22 H31 91.00(35) 1_555 1_555 4_465 H32 H22 C32 26.28(14) 1_555 1_555 1_555 H32 H22 C12 94.86(20) 1_555 1_555 1_555 H32 H22 C22 59.85(36) 1_555 1_555 1_555 N12 H22 H32 126.22(20) 1_555 1_555 1_555 N12 H22 H121 22.67(13) 1_555 1_555 1_555 N12 H22 H31 142.32(36) 1_555 1_555 4_465 N12 H22 C32 99.97(21) 1_555 1_555 1_555 N12 H22 C12 31.51(13) 1_555 1_555 1_555 N12 H22 C22 66.44(33) 1_555 1_555 1_555 H52 H22 N12 64.14(27) 1_565 1_555 1_555 H52 H22 H32 113.74(28) 1_565 1_555 1_555 H52 H22 H121 67.32(45) 1_565 1_555 1_555 H52 H22 H31 109.54(30) 1_565 1_555 4_465 H52 H22 C32 105.96(26) 1_565 1_555 1_555 H52 H22 C12 76.84(25) 1_565 1_555 1_555 H52 H22 C22 91.96(28) 1_565 1_555 1_555 H42 H22 H52 52.18(21) 1_565 1_555 1_565 H42 H22 N12 116.15(23) 1_565 1_555 1_555 H42 H22 H32 86.47(28) 1_565 1_555 1_555 H42 H22 H121 113.38(43) 1_565 1_555 1_555 H42 H22 H31 66.32(30) 1_565 1_555 4_465 H42 H22 C32 100.86(26) 1_565 1_555 1_555 H42 H22 C12 123.61(17) 1_565 1_555 1_555 H42 H22 C22 116.42(26) 1_565 1_555 1_555 C31 H22 H42 69.15(20) 4_465 1_555 1_565 C31 H22 H52 119.30(30) 4_465 1_555 1_565 C31 H22 N12 159.55(30) 4_465 1_555 1_555 C31 H22 H32 72.48(27) 4_465 1_555 1_555 C31 H22 H121 137.12(29) 4_465 1_555 1_555 C31 H22 H31 18.76(15) 4_465 1_555 4_465 C31 H22 C32 98.17(31) 4_465 1_555 1_555 C31 H22 C12 162.26(27) 4_465 1_555 1_555 C31 H22 C22 130.79(51) 4_465 1_555 1_555 C52 H22 C31 101.80(21) 1_565 1_555 4_465 C52 H22 H42 42.98(13) 1_565 1_555 1_565 C52 H22 H52 21.55(11) 1_565 1_555 1_565 C52 H22 N12 75.72(24) 1_565 1_555 1_555 C52 H22 H32 123.20(23) 1_565 1_555 1_555 C52 H22 H121 70.46(42) 1_565 1_555 1_555 C52 H22 H31 89.29(25) 1_565 1_555 4_465 C52 H22 C32 123.66(19) 1_565 1_555 1_555 C52 H22 C12 95.53(25) 1_565 1_555 1_555 C52 H22 C22 113.50(25) 1_565 1_555 1_555 H41 H22 C52 143.53(31) 4_465 1_555 1_565 H41 H22 C31 42.51(15) 4_465 1_555 4_465 H41 H22 H42 109.45(31) 4_465 1_555 1_565 H41 H22 H52 161.48(41) 4_465 1_555 1_565 H41 H22 N12 133.79(25) 4_465 1_555 1_555 H41 H22 H32 62.11(21) 4_465 1_555 1_555 H41 H22 H121 126.69(38) 4_465 1_555 1_555 H41 H22 H31 54.34(26) 4_465 1_555 4_465 H41 H22 C32 77.87(22) 4_465 1_555 1_555 H41 H22 C12 120.70(24) 4_465 1_555 1_555 H41 H22 C22 100.01(34) 4_465 1_555 1_555 H32 H22 H41 48.70(16) 4_565 1_555 4_465 H32 H22 C52 116.82(28) 4_565 1_555 1_565 H32 H22 C31 63.51(16) 4_565 1_555 4_465 H32 H22 H42 120.44(24) 4_565 1_555 1_565 H32 H22 H52 134.12(36) 4_565 1_555 1_565 H32 H22 N12 99.05(26) 4_565 1_555 1_555 H32 H22 H32 110.34(26) 4_565 1_555 1_555 H32 H22 H121 82.11(34) 4_565 1_555 1_555 H32 H22 H31 57.08(32) 4_565 1_555 4_465 H32 H22 C32 119.29(25) 4_565 1_555 1_555 H32 H22 C12 111.72(26) 4_565 1_555 1_555 H32 H22 C22 121.42(24) 4_565 1_555 1_555 C42 H22 H32 111.16(23) 1_565 1_555 4_565 C42 H22 H41 118.95(30) 1_565 1_555 4_465 C42 H22 C52 26.590(61) 1_565 1_555 1_565 C42 H22 C31 76.44(19) 1_565 1_555 4_465 C42 H22 H42 20.75(11) 1_565 1_555 1_565 C42 H22 H52 43.18(15) 1_565 1_555 1_565 C42 H22 N12 102.27(24) 1_565 1_555 1_555 C42 H22 H32 107.22(27) 1_565 1_555 1_555 C42 H22 H121 94.56(41) 1_565 1_555 1_555 C42 H22 H31 66.97(26) 1_565 1_555 4_465 C42 H22 C32 119.92(24) 1_565 1_555 1_555 C42 H22 C12 120.02(22) 1_565 1_555 1_555 C42 H22 C22 127.20(16) 1_565 1_555 1_555 C32 H22 C42 107.22(20) 4_565 1_555 1_565 C32 H22 H32 20.427(99) 4_565 1_555 4_565 C32 H22 H41 68.71(14) 4_565 1_555 4_465 C32 H22 C52 103.88(24) 4_565 1_555 1_565 C32 H22 C31 80.54(16) 4_565 1_555 4_465 C32 H22 H42 122.93(25) 4_565 1_555 1_565 C32 H22 H52 117.08(33) 4_565 1_555 1_565 C32 H22 N12 80.42(24) 4_565 1_555 1_555 C32 H22 H32 129.08(20) 4_565 1_555 1_555 C32 H22 H121 61.98(30) 4_565 1_555 1_555 C32 H22 H31 69.78(22) 4_565 1_555 4_465 C32 H22 C32 131.25(20) 4_565 1_555 1_555 C32 H22 C12 99.11(28) 4_565 1_555 1_555 C32 H22 C22 120.02(30) 4_565 1_555 1_555 C22 H32 C32 34.77(23) 1_555 1_555 1_555 C42 H32 C22 68.58(15) 1_555 1_555 1_555 C42 H32 C32 33.81(24) 1_555 1_555 1_555 H21 H32 C42 96.70(31) 4_455 1_555 1_555 H21 H32 C22 137.80(29) 4_455 1_555 1_555 H21 H32 C32 120.94(40) 4_455 1_555 1_555 H22 H32 H21 137.52(30) 1_555 1_555 4_455 H22 H32 C42 94.83(14) 1_555 1_555 1_555 H22 H32 C22 26.25(15) 1_555 1_555 1_555 H22 H32 C32 61.02(31) 1_555 1_555 1_555 H41 H32 H22 111.42(34) 1_455 1_555 1_555 H41 H32 H21 87.66(33) 1_455 1_555 4_455 H41 H32 C42 135.48(31) 1_455 1_555 1_555 H41 H32 C22 131.12(34) 1_455 1_555 1_555 H41 H32 C32 146.08(21) 1_455 1_555 1_555 H42 H32 H41 117.20(31) 1_555 1_555 1_455 H42 H32 H22 120.56(10) 1_555 1_555 1_555 H42 H32 H21 77.26(27) 1_555 1_555 4_455 H42 H32 C42 25.73(10) 1_555 1_555 1_555 H42 H32 C22 94.30(14) 1_555 1_555 1_555 H42 H32 C32 59.54(31) 1_555 1_555 1_555 H31 H32 H42 58.69(31) 1_455 1_555 1_555 H31 H32 H41 58.52(25) 1_455 1_555 1_455 H31 H32 H22 147.73(21) 1_455 1_555 1_555 H31 H32 H21 74.69(36) 1_455 1_555 4_455 H31 H32 C42 79.91(33) 1_455 1_555 1_555 H31 H32 C22 135.41(27) 1_455 1_555 1_555 H31 H32 C32 108.56(47) 1_455 1_555 1_555 H41 H32 H31 140.57(34) 4_465 1_555 1_455 H41 H32 H42 127.90(20) 4_465 1_555 1_555 H41 H32 H41 101.50(24) 4_465 1_555 1_455 H41 H32 H22 68.60(23) 4_465 1_555 1_555 H41 H32 H21 70.59(21) 4_465 1_555 4_455 H41 H32 C42 121.79(24) 4_465 1_555 1_555 H41 H32 C22 83.86(27) 4_465 1_555 1_555 H41 H32 C32 105.00(34) 4_465 1_555 1_555 C41 H32 H41 21.60(11) 4_465 1_555 4_465 C41 H32 H31 126.75(30) 4_465 1_555 1_455 C41 H32 H42 143.71(19) 4_465 1_555 1_555 C41 H32 H41 80.00(14) 4_465 1_555 1_455 C41 H32 H22 74.90(27) 4_465 1_555 1_555 C41 H32 H21 71.55(17) 4_465 1_555 4_455 C41 H32 C42 143.26(20) 4_465 1_555 1_555 C41 H32 C22 96.45(31) 4_465 1_555 1_555 C41 H32 C32 123.92(40) 4_465 1_555 1_555 H22 H32 C41 141.43(28) 4_465 1_555 4_465 H22 H32 H41 160.42(35) 4_465 1_555 4_465 H22 H32 H31 46.14(19) 4_465 1_555 1_455 H22 H32 H42 71.64(20) 4_465 1_555 1_555 H22 H32 H41 65.34(21) 4_465 1_555 1_455 H22 H32 H22 101.66(17) 4_465 1_555 1_555 H22 H32 H21 120.81(32) 4_465 1_555 4_455 H22 H32 C42 74.77(22) 4_465 1_555 1_555 H22 H32 C22 94.14(18) 4_465 1_555 1_555 H22 H32 C32 83.24(24) 4_465 1_555 1_555 C41 H32 H22 65.29(19) 1_455 1_555 4_465 C41 H32 C41 87.42(14) 1_455 1_555 4_465 C41 H32 H41 107.26(23) 1_455 1_555 4_465 C41 H32 H31 43.48(17) 1_455 1_555 1_455 C41 H32 H42 101.14(27) 1_455 1_555 1_555 C41 H32 H41 18.95(13) 1_455 1_555 1_455 C41 H32 H22 130.37(28) 1_455 1_555 1_555 C41 H32 H21 73.35(28) 1_455 1_555 4_455 C41 H32 C42 123.38(31) 1_455 1_555 1_555 C41 H32 C22 148.13(25) 1_455 1_555 1_555 C41 H32 C32 147.63(31) 1_455 1_555 1_555 C31 H32 C41 25.776(72) 1_455 1_555 1_455 C31 H32 H22 56.84(18) 1_455 1_555 4_465 C31 H32 C41 108.01(18) 1_455 1_555 4_465 C31 H32 H41 124.11(24) 1_455 1_555 4_465 C31 H32 H31 19.10(13) 1_455 1_555 1_455 C31 H32 H42 75.37(23) 1_455 1_555 1_555 C31 H32 H41 43.19(18) 1_455 1_555 1_455 C31 H32 H22 150.05(21) 1_455 1_555 1_555 C31 H32 H21 67.30(28) 1_455 1_555 4_455 C31 H32 C42 98.31(28) 1_455 1_555 1_555 C31 H32 C22 150.88(18) 1_455 1_555 1_555 C31 H32 C32 127.64(42) 1_455 1_555 1_555 C31 H32 C31 108.89(19) 4_465 1_555 1_455 C31 H32 C41 83.59(15) 4_465 1_555 1_455 C31 H32 H22 119.36(25) 4_465 1_555 4_465 C31 H32 C41 25.628(75) 4_465 1_555 4_465 C31 H32 H41 41.15(15) 4_465 1_555 4_465 C31 H32 H31 127.05(30) 4_465 1_555 1_455 C31 H32 H42 168.92(17) 4_465 1_555 1_555 C31 H32 H41 69.51(14) 4_465 1_555 1_455 C31 H32 H22 60.75(28) 4_465 1_555 1_555 C31 H32 H21 94.76(21) 4_465 1_555 4_455 C31 H32 C42 152.78(32) 4_465 1_555 1_555 C31 H32 C22 86.46(33) 4_465 1_555 1_555 C31 H32 C32 120.52(50) 4_465 1_555 1_555 C52 H42 C42 33.565(81) 1_555 1_555 1_555 C32 H42 C52 67.13(16) 1_555 1_555 1_555 C32 H42 C42 33.565(81) 1_555 1_555 1_555 H52 H42 C32 92.87(16) 1_555 1_555 1_555 H52 H42 C52 25.74(11) 1_555 1_555 1_555 H52 H42 C42 59.30(11) 1_555 1_555 1_555 H32 H42 H52 118.61(22) 1_555 1_555 1_555 H32 H42 C32 25.74(11) 1_555 1_555 1_555 H32 H42 C52 92.87(16) 1_555 1_555 1_555 H32 H42 C42 59.30(11) 1_555 1_555 1_555 H31 H42 H32 62.96(30) 1_455 1_555 1_555 H31 H42 H52 146.67(18) 1_455 1_555 1_555 H31 H42 C32 84.04(25) 1_455 1_555 1_555 H31 H42 C52 136.52(25) 1_455 1_555 1_555 H31 H42 C42 111.91(25) 1_455 1_555 1_555 H31 H42 H31 113.95(22) 4_455 1_555 1_455 H31 H42 H32 77.48(17) 4_455 1_555 1_555 H31 H42 H52 97.97(19) 4_455 1_555 1_555 H31 H42 C32 79.74(18) 4_455 1_555 1_555 H31 H42 C52 92.89(22) 4_455 1_555 1_555 H31 H42 C42 85.61(20) 4_455 1_555 1_555 H22 H42 H31 45.33(23) 1_545 1_555 4_455 H22 H42 H31 152.87(25) 1_545 1_555 1_455 H22 H42 H32 116.27(19) 1_545 1_555 1_555 H22 H42 H52 59.73(19) 1_545 1_555 1_555 H22 H42 C32 104.72(24) 1_545 1_555 1_555 H22 H42 C52 69.23(21) 1_545 1_555 1_555 H22 H42 C42 86.54(23) 1_545 1_555 1_555 H21 H42 H22 93.74(22) 4_455 1_555 1_545 H21 H42 H31 49.31(21) 4_455 1_555 4_455 H21 H42 H31 65.04(16) 4_455 1_555 1_455 H21 H42 H32 48.21(22) 4_455 1_555 1_555 H21 H42 H52 143.75(21) 4_455 1_555 1_555 H21 H42 C32 68.95(19) 4_455 1_555 1_555 H21 H42 C52 126.00(24) 4_455 1_555 1_555 H21 H42 C42 97.88(21) 4_455 1_555 1_555 C62 H52 C52 34.77(23) 1_555 1_555 1_555 C42 H52 C62 68.58(15) 1_555 1_555 1_555 C42 H52 C52 33.81(24) 1_555 1_555 1_555 H61 H52 C42 130.41(34) 2_544 1_555 1_555 H61 H52 C62 79.70(37) 2_544 1_555 1_555 H61 H52 C52 106.87(47) 2_544 1_555 1_555 H62 H52 H61 60.04(33) 1_555 1_555 2_544 H62 H52 C42 94.83(14) 1_555 1_555 1_555 H62 H52 C62 26.25(15) 1_555 1_555 1_555 H62 H52 C52 61.02(31) 1_555 1_555 1_555 H122 H52 H62 117.33(40) 4_455 1_555 1_555 H122 H52 H61 62.16(33) 4_455 1_555 2_544 H122 H52 C42 142.40(41) 4_455 1_555 1_555 H122 H52 C62 141.31(45) 4_455 1_555 1_555 H122 H52 C52 162.16(31) 4_455 1_555 1_555 H42 H52 H122 118.99(37) 1_555 1_555 4_455 H42 H52 H62 120.56(10) 1_555 1_555 1_555 H42 H52 H61 141.06(29) 1_555 1_555 2_544 H42 H52 C42 25.73(10) 1_555 1_555 1_555 H42 H52 C62 94.30(14) 1_555 1_555 1_555 H42 H52 C52 59.54(31) 1_555 1_555 1_555 H22 H52 H42 68.09(26) 1_545 1_555 1_555 H22 H52 H122 104.67(40) 1_545 1_555 4_455 H22 H52 H62 113.68(28) 1_545 1_555 1_555 H22 H52 H61 150.66(46) 1_545 1_555 2_544 H22 H52 C42 76.74(23) 1_545 1_555 1_555 H22 H52 C62 105.87(24) 1_545 1_555 1_555 H22 H52 C52 91.32(27) 1_545 1_555 1_555 H121 H52 H22 50.75(27) 1_545 1_555 1_545 H121 H52 H42 112.84(22) 1_545 1_555 1_555 H121 H52 H122 102.20(29) 1_545 1_555 4_455 H121 H52 H62 71.08(26) 1_545 1_555 1_555 H121 H52 H61 103.97(37) 1_545 1_555 2_544 H121 H52 C42 106.60(18) 1_545 1_555 1_555 H121 H52 C62 79.86(24) 1_545 1_555 1_555 H121 H52 C52 94.00(24) 1_545 1_555 1_555 N12 H52 H121 20.65(12) 1_545 1_555 1_545 N12 H52 H22 56.63(23) 1_545 1_555 1_545 N12 H52 H42 124.52(20) 1_545 1_555 1_555 N12 H52 H122 81.55(26) 1_545 1_555 4_455 N12 H52 H62 80.72(26) 1_545 1_555 1_555 N12 H52 H61 94.42(32) 1_545 1_555 2_544 N12 H52 C42 125.06(16) 1_545 1_555 1_555 N12 H52 C62 95.99(27) 1_545 1_555 1_555 N12 H52 C52 114.47(27) 1_545 1_555 1_555 C12 H52 N12 115.94(20) 4_455 1_555 1_545 C12 H52 H121 133.65(24) 4_455 1_555 1_545 C12 H52 H22 100.80(33) 4_455 1_555 1_545 C12 H52 H42 76.85(24) 4_455 1_555 1_555 C12 H52 H122 43.81(20) 4_455 1_555 4_455 C12 H52 H62 145.04(20) 4_455 1_555 1_555 C12 H52 H61 87.09(22) 4_455 1_555 2_544 C12 H52 C42 98.63(28) 4_455 1_555 1_555 C12 H52 C62 146.32(15) 4_455 1_555 1_555 C12 H52 C52 126.11(40) 4_455 1_555 1_555 H112 H52 C12 95.09(32) 2_544 1_555 4_455 H112 H52 N12 44.71(22) 2_544 1_555 1_545 H112 H52 H121 61.32(29) 2_544 1_555 1_545 H112 H52 H22 98.23(29) 2_544 1_555 1_545 H112 H52 H42 161.96(34) 2_544 1_555 1_555 H112 H52 H122 51.28(32) 2_544 1_555 4_455 H112 H52 H62 75.09(40) 2_544 1_555 1_555 H112 H52 H61 52.66(30) 2_544 1_555 2_544 H112 H52 C42 166.05(39) 2_544 1_555 1_555 H112 H52 C62 100.98(45) 2_544 1_555 1_555 H112 H52 C52 135.10(60) 2_544 1_555 1_555 N12 H52 H112 68.98(31) 4_455 1_555 2_544 N12 H52 C12 27.48(10) 4_455 1_555 4_455 N12 H52 N12 90.42(14) 4_455 1_555 1_545 N12 H52 H121 110.12(20) 4_455 1_555 1_545 N12 H52 H22 95.67(30) 4_455 1_555 1_545 N12 H52 H42 99.75(29) 4_455 1_555 1_555 N12 H52 H122 19.43(15) 4_455 1_555 4_455 N12 H52 H62 136.29(31) 4_455 1_555 1_555 N12 H52 H61 78.33(24) 4_455 1_555 2_544 N12 H52 C42 124.08(35) 4_455 1_555 1_555 N12 H52 C62 157.52(28) 4_455 1_555 1_555 N12 H52 C52 153.58(44) 4_455 1_555 1_555 C22 H52 N12 76.11(20) 1_545 1_555 4_455 C22 H52 H112 83.03(24) 1_545 1_555 2_544 C22 H52 C12 87.18(24) 1_545 1_555 4_455 C22 H52 N12 49.25(15) 1_545 1_555 1_545 C22 H52 H121 52.94(22) 1_545 1_555 1_545 C22 H52 H22 21.45(11) 1_545 1_555 1_545 C22 H52 H42 80.50(22) 1_545 1_555 1_555 C22 H52 H122 83.36(35) 1_545 1_555 4_455 C22 H52 H62 123.65(23) 1_545 1_555 1_555 C22 H52 H61 134.50(36) 1_545 1_555 2_544 C22 H52 C42 95.07(21) 1_545 1_555 1_555 C22 H52 C62 123.84(18) 1_545 1_555 1_555 C22 H52 C52 112.76(24) 1_545 1_555 1_555 H62 H52 C22 127.73(36) 4_455 1_555 1_545 H62 H52 N12 52.79(21) 4_455 1_555 4_455 H62 H52 H112 87.81(26) 4_455 1_555 2_544 H62 H52 C12 42.50(16) 4_455 1_555 4_455 H62 H52 N12 130.49(24) 4_455 1_555 1_545 H62 H52 H121 149.13(27) 4_455 1_555 1_545 H62 H52 H22 143.29(44) 4_455 1_555 1_545 H62 H52 H42 96.46(23) 4_455 1_555 1_555 H62 H52 H122 52.49(32) 4_455 1_555 4_455 H62 H52 H62 102.89(27) 4_455 1_555 1_555 H62 H52 H61 51.15(20) 4_455 1_555 2_544 H62 H52 C42 104.05(24) 4_455 1_555 1_555 H62 H52 C62 108.43(26) 4_455 1_555 1_555 H62 H52 C52 109.73(24) 4_455 1_555 1_555 C62 H52 H62 20.701(94) 4_455 1_555 4_455 C62 H52 C22 114.03(33) 4_455 1_555 1_545 C62 H52 N12 47.90(17) 4_455 1_555 4_455 C62 H52 H112 101.90(28) 4_455 1_555 2_544 C62 H52 C12 27.20(12) 4_455 1_555 4_455 C62 H52 N12 137.42(23) 4_455 1_555 1_545 C62 H52 H121 157.84(25) 4_455 1_555 1_545 C62 H52 H22 124.85(41) 4_455 1_555 1_545 C62 H52 H42 78.38(22) 4_455 1_555 1_555 C62 H52 H122 56.19(26) 4_455 1_555 4_455 C62 H52 H62 120.97(21) 4_455 1_555 1_555 C62 H52 H61 71.78(21) 4_455 1_555 2_544 C62 H52 C42 91.52(22) 4_455 1_555 1_555 C62 H52 C62 119.50(18) 4_455 1_555 1_555 C62 H52 C52 108.09(25) 4_455 1_555 1_555 C12 H52 C62 119.26(28) 1_545 1_555 4_455 C12 H52 H62 122.89(28) 1_545 1_555 4_455 C12 H52 C22 26.82(11) 1_545 1_555 1_545 C12 H52 N12 72.11(14) 1_545 1_555 4_455 C12 H52 H112 56.49(21) 1_545 1_555 2_544 C12 H52 C12 93.39(21) 1_545 1_555 4_455 C12 H52 N12 26.878(71) 1_545 1_555 1_545 C12 H52 H121 40.30(17) 1_545 1_555 1_545 C12 H52 H22 43.03(18) 1_545 1_555 1_545 C12 H52 H42 107.32(23) 1_545 1_555 1_555 C12 H52 H122 70.65(30) 1_545 1_555 4_455 C12 H52 H62 107.56(27) 1_545 1_555 1_555 C12 H52 H61 108.86(31) 1_545 1_555 2_544 C12 H52 C42 119.77(21) 1_545 1_555 1_555 C12 H52 C62 120.16(25) 1_545 1_555 1_555 C12 H52 C52 127.19(15) 1_545 1_555 1_555 H121 H52 C12 176.64(30) 4_465 1_555 1_545 H121 H52 C62 63.06(31) 4_465 1_555 4_455 H121 H52 H62 60.20(32) 4_465 1_555 4_455 H121 H52 C22 150.80(32) 4_465 1_555 1_545 H121 H52 N12 110.51(36) 4_465 1_555 4_455 H121 H52 H112 126.13(26) 4_465 1_555 2_544 H121 H52 C12 88.50(33) 4_465 1_555 4_455 H121 H52 N12 152.78(42) 4_465 1_555 1_545 H121 H52 H121 137.85(36) 4_465 1_555 1_545 H121 H52 H22 133.84(34) 4_465 1_555 1_545 H121 H52 H42 70.40(19) 4_465 1_555 1_555 H121 H52 H122 112.54(40) 4_465 1_555 4_455 H121 H52 H62 72.13(26) 4_465 1_555 1_555 H121 H52 H61 73.99(32) 4_465 1_555 2_544 H121 H52 C42 57.12(20) 4_465 1_555 1_555 H121 H52 C62 58.15(29) 4_465 1_555 1_555 H121 H52 C52 49.62(27) 4_465 1_555 1_555 C12 H62 C62 35.01(24) 1_555 1_555 1_555 C52 H62 C12 68.57(17) 1_555 1_555 1_555 C52 H62 C62 33.57(26) 1_555 1_555 1_555 H61 H62 C52 142.89(31) 3_664 1_555 1_555 H61 H62 C12 108.40(26) 3_664 1_555 1_555 H61 H62 C62 132.76(34) 3_664 1_555 1_555 H52 H62 H61 134.71(27) 1_555 1_555 3_664 H52 H62 C52 26.28(14) 1_555 1_555 1_555 H52 H62 C12 94.86(20) 1_555 1_555 1_555 H52 H62 C62 59.85(36) 1_555 1_555 1_555 H61 H62 H52 59.94(33) 2_544 1_555 1_555 H61 H62 H61 119.66(42) 2_544 1_555 3_664 H61 H62 C52 79.64(31) 2_544 1_555 1_555 H61 H62 C12 130.40(30) 2_544 1_555 1_555 H61 H62 C62 105.91(41) 2_544 1_555 1_555 H122 H62 H61 146.29(51) 1_555 1_555 2_544 H122 H62 H52 145.53(30) 1_555 1_555 1_555 H122 H62 H61 62.81(26) 1_555 1_555 3_664 H122 H62 C52 119.75(31) 1_555 1_555 1_555 H122 H62 C12 51.94(24) 1_555 1_555 1_555 H122 H62 C62 86.54(42) 1_555 1_555 1_555 N12 H62 H122 22.69(13) 1_555 1_555 1_555 N12 H62 H61 139.17(37) 1_555 1_555 2_544 N12 H62 H52 126.22(20) 1_555 1_555 1_555 N12 H62 H61 85.17(24) 1_555 1_555 3_664 N12 H62 C52 99.97(21) 1_555 1_555 1_555 N12 H62 C12 31.51(13) 1_555 1_555 1_555 N12 H62 C62 66.44(33) 1_555 1_555 1_555 C61 H62 N12 87.63(30) 3_664 1_555 1_555 C61 H62 H122 65.65(28) 3_664 1_555 1_555 C61 H62 H61 103.57(33) 3_664 1_555 2_544 C61 H62 H52 144.29(32) 3_664 1_555 1_555 C61 H62 H61 23.38(16) 3_664 1_555 3_664 C61 H62 C52 164.34(30) 3_664 1_555 1_555 C61 H62 C12 117.36(38) 3_664 1_555 1_555 C61 H62 C62 150.04(50) 3_664 1_555 1_555 H111 H62 C61 62.20(31) 2_554 1_555 3_664 H111 H62 N12 79.93(36) 2_554 1_555 1_555 H111 H62 H122 75.36(50) 2_554 1_555 1_555 H111 H62 H61 71.63(39) 2_554 1_555 2_544 H111 H62 H52 127.96(43) 2_554 1_555 1_555 H111 H62 H61 84.71(40) 2_554 1_555 3_664 H111 H62 C52 132.39(36) 2_554 1_555 1_555 H111 H62 C12 102.95(35) 2_554 1_555 1_555 H111 H62 C62 123.27(33) 2_554 1_555 1_555 H112 H62 H111 35.64(27) 2_554 1_555 2_554 H112 H62 C61 79.32(39) 2_554 1_555 3_664 H112 H62 N12 46.92(24) 2_554 1_555 1_555 H112 H62 H122 51.46(41) 2_554 1_555 1_555 H112 H62 H61 96.07(34) 2_554 1_555 2_544 H112 H62 H52 130.55(38) 2_554 1_555 1_555 H112 H62 H61 94.57(40) 2_554 1_555 3_664 H112 H62 C52 115.85(39) 2_554 1_555 1_555 H112 H62 C12 67.34(30) 2_554 1_555 1_555 H112 H62 C62 92.29(42) 2_554 1_555 1_555 H51 H62 H112 105.59(36) 3_664 1_555 2_554 H51 H62 H111 72.25(26) 3_664 1_555 2_554 H51 H62 C61 43.79(18) 3_664 1_555 3_664 H51 H62 N12 131.01(36) 3_664 1_555 1_555 H51 H62 H122 109.43(36) 3_664 1_555 1_555 H51 H62 H61 66.58(29) 3_664 1_555 2_544 H51 H62 H52 102.59(33) 3_664 1_555 1_555 H51 H62 H61 53.36(30) 3_664 1_555 3_664 H51 H62 C52 128.59(37) 3_664 1_555 1_555 H51 H62 C12 160.93(41) 3_664 1_555 1_555 H51 H62 C62 161.03(54) 3_664 1_555 1_555 N11 H62 H51 91.95(25) 2_554 1_555 3_664 N11 H62 H112 19.88(11) 2_554 1_555 2_554 N11 H62 H111 19.79(11) 2_554 1_555 2_554 N11 H62 C61 77.74(24) 2_554 1_555 3_664 N11 H62 N12 66.79(23) 2_554 1_555 1_555 N11 H62 H122 69.27(40) 2_554 1_555 1_555 N11 H62 H61 77.31(27) 2_554 1_555 2_544 N11 H62 H52 122.80(25) 2_554 1_555 1_555 N11 H62 H61 98.11(31) 2_554 1_555 3_664 N11 H62 C52 117.82(23) 2_554 1_555 1_555 N11 H62 C12 84.91(25) 2_554 1_555 1_555 N11 H62 C62 103.58(29) 2_554 1_555 1_555 H52 H62 N11 121.69(38) 4_555 1_555 2_554 H52 H62 H51 100.45(37) 4_555 1_555 3_664 H52 H62 H112 104.19(40) 4_555 1_555 2_554 H52 H62 H111 122.37(47) 4_555 1_555 2_554 H52 H62 C61 73.70(22) 4_555 1_555 3_664 H52 H62 N12 62.33(29) 4_555 1_555 1_555 H52 H62 H122 52.80(39) 4_555 1_555 1_555 H52 H62 H61 158.48(58) 4_555 1_555 2_544 H52 H62 H52 109.59(21) 4_555 1_555 1_555 H52 H62 H61 52.26(22) 4_555 1_555 3_664 H52 H62 C52 97.59(21) 4_555 1_555 1_555 H52 H62 C12 65.95(29) 4_555 1_555 1_555 H52 H62 C62 80.76(29) 4_555 1_555 1_555 C51 H62 H52 97.01(26) 3_664 1_555 4_555 C51 H62 N11 76.11(19) 3_664 1_555 2_554 C51 H62 H51 20.96(12) 3_664 1_555 3_664 C51 H62 H112 86.61(34) 3_664 1_555 2_554 C51 H62 H111 56.56(20) 3_664 1_555 2_554 C51 H62 C61 27.176(85) 3_664 1_555 3_664 C51 H62 N12 111.05(31) 3_664 1_555 1_555 C51 H62 H122 90.76(32) 3_664 1_555 1_555 C51 H62 H61 76.78(28) 3_664 1_555 2_544 C51 H62 H52 122.71(32) 3_664 1_555 1_555 C51 H62 H61 44.87(24) 3_664 1_555 3_664 C51 H62 C52 148.98(38) 3_664 1_555 1_555 C51 H62 C12 142.41(40) 3_664 1_555 1_555 C51 H62 C62 177.20(53) 3_664 1_555 1_555 H121 H62 C51 92.82(23) 1_545 1_555 3_664 H121 H62 H52 62.27(21) 1_545 1_555 4_555 H121 H62 N11 168.43(27) 1_545 1_555 2_554 H121 H62 H51 76.50(23) 1_545 1_555 3_664 H121 H62 H112 166.30(45) 1_545 1_555 2_554 H121 H62 H111 148.73(28) 1_545 1_555 2_554 H121 H62 C61 93.98(26) 1_545 1_555 3_664 H121 H62 N12 121.49(23) 1_545 1_555 1_555 H121 H62 H122 114.91(40) 1_545 1_555 1_555 H121 H62 H61 97.12(51) 1_545 1_555 2_544 H121 H62 H52 60.48(30) 1_545 1_555 1_555 H121 H62 H61 75.66(27) 1_545 1_555 3_664 H121 H62 C52 70.36(30) 1_545 1_555 1_555 H121 H62 C12 106.22(20) 1_545 1_555 1_555 H121 H62 C62 87.64(32) 1_545 1_555 1_555 data_Aniline_I_7_3GPa _database_code_depnum_ccdc_archive 'CCDC 893035' #TrackingRef 'aniiline.cif' _chemical_name_mineral ?aniline_2? _cell_length_a 7.51947(76) _cell_length_b 5.27369(87) _cell_length_c 19.5777(20) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 776.36(17) _symmetry_space_group_name_H-M Pna21 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z ' '-x+1/2, y+1/2, z+1/2 ' '-x, -y, z+1/2 ' 'x+1/2, -y+1/2, z ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv N11 N 0 0.4133(35) 0.2133(39) 0.92720(88) 1 1.00(24) C11 C 0 0.5067(24) 0.3849(29) 0.88732(57) 1 1.00(24) C21 C 0 0.5776(23) 0.3124(32) 0.82533(62) 1 1.00(24) C31 C 0 0.6922(16) 0.4685(24) 0.78968(29) 1 1.00(24) C41 C 0 0.7398(12) 0.7049(19) 0.8153 1 1.00(24) C51 C 0 0.6681(16) 0.7775(24) 0.87781(29) 1 1.00(24) C61 C 0 0.5537(23) 0.6193(32) 0.91288(62) 1 1.00(24) H111 D 0 0.3663(41) 0.0563(49) 0.9022(12) 1 1.50(35) H112 D 0 0.3206(41) 0.2904(49) 0.9595(12) 1 1.50(35) H21 D 0 0.5424(32) 0.1325(46) 0.8052(10) 1 1.20(28) H31 D 0 0.7412(21) 0.3995(42) 0.74239(94) 1 1.20(28) H41 D 0 0.8278(15) 0.8256(21) 0.78814(23) 1 1.20(28) H51 D 0 0.6979(21) 0.9547(42) 0.90074(94) 1 1.20(28) H61 D 0 0.4999(32) 0.6770(46) 0.9605(10) 1 1.20(28) N12 N 0 0.3117(35) 0.8032(40) 0.5420(11) 1 1.50(32) C12 C 0 0.2260(24) 0.6256(31) 0.58249(83) 1 1.50(32) C22 C 0 0.1631(22) 0.6906(33) 0.64633(87) 1 1.50(32) C32 C 0 0.0555(15) 0.5283(26) 0.68318(65) 1 1.50(32) C42 C 0 0.0070(11) 0.2932(21) 0.65692(57) 1 1.50(32) C52 C 0 0.0707(15) 0.2283(25) 0.59253(65) 1 1.50(32) C62 C 0 0.1782(22) 0.3926(33) 0.55629(87) 1 1.50(32) H121 D 0 0.3658(42) 0.9546(50) 0.5674(14) 1 2.25(47) H122 D 0 0.4049(42) 0.7323(50) 0.5089(14) 1 2.25(47) H22 D 0 0.1991(32) 0.8693(48) 0.6670(12) 1 1.80(38) H32 D 0 0.0124(21) 0.5916(43) 0.7319(11) 1 1.80(38) H42 D 0 -0.0756(13) 0.1678(23) 0.68500(62) 1 1.80(38) H52 D 0 0.0397(21) 0.0526(43) 0.5690(11) 1 1.80(38) H62 D 0 0.2258(32) 0.3407(48) 0.5072(12) 1 1.80(38) 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 N11 H112 1.0249(35) 1_555 1_555 N11 H111 1.0249(35) 1_555 1_555 N11 C11 1.3862(34) 1_555 1_555 N11 H122 2.123(25) 1_555 3_665 N11 C61 2.4035(84) 1_555 1_555 N11 C21 2.4035(84) 1_555 1_555 N11 H51 2.440(38) 1_555 4_465 N11 H51 2.590(31) 1_555 1_545 N11 H61 2.613(11) 1_555 1_555 N11 H21 2.613(11) 1_555 1_555 N11 H62 2.722(24) 1_555 2_545 N11 N12 2.852(30) 1_555 2_545 N11 H122 2.880(34) 1_555 2_545 N11 H61 2.975(12) 1_555 1_545 N11 N12 3.055(29) 1_555 3_665 N11 C62 3.118(19) 1_555 2_545 N11 H112 3.128(11) 1_555 4_555 N11 C51 3.145(25) 1_555 1_545 N11 C11 3.1979(89) 1_555 4_455 C11 C21 1.3796(94) 1_555 1_555 C11 C61 1.3796(94) 1_555 1_555 C11 N11 1.3862(34) 1_555 1_555 C11 H112 2.0500(55) 1_555 1_555 C11 H111 2.0500(55) 1_555 1_555 C11 H21 2.1045(96) 1_555 1_555 C11 H61 2.1045(96) 1_555 1_555 C11 C31 2.4070(49) 1_555 1_555 C11 C51 2.4070(49) 1_555 1_555 C11 H51 2.485(28) 1_555 4_465 C11 H122 2.548(28) 1_555 3_665 C11 H51 2.699(18) 1_555 1_545 C11 H111 2.737(21) 1_555 4_555 C11 H41 2.812(19) 1_555 4_465 C11 C41 2.8125(35) 1_555 1_555 C11 H112 2.903(22) 1_555 4_555 C11 C51 3.112(25) 1_555 4_465 C11 N11 3.1979(89) 1_555 4_555 C21 H21 1.0608(33) 1_555 1_555 C21 C11 1.3796(94) 1_555 1_555 C21 C31 1.3811(33) 1_555 1_555 C21 H31 2.0884(54) 1_555 1_555 C21 C61 2.364(19) 1_555 1_555 C21 N11 2.4035(84) 1_555 1_555 C21 C41 2.4111(54) 1_555 1_555 C21 H51 2.560(16) 1_555 1_545 C21 H111 2.5715(93) 1_555 1_555 C21 H111 2.731(23) 1_555 4_555 C21 C51 2.745(10) 1_555 1_555 C21 H41 2.776(20) 1_555 4_465 C21 H32 2.850(24) 1_555 4_555 C21 H42 2.981(17) 1_555 4_555 C21 C51 3.078(11) 1_555 1_545 C31 H31 1.0608(33) 1_555 1_555 C31 C21 1.3811(33) 1_555 1_555 C31 C41 1.3911(34) 1_555 1_555 C31 H21 2.1215(81) 1_555 1_555 C31 H41 2.1422(44) 1_555 1_555 C31 C51 2.3803(70) 1_555 1_555 C31 C11 2.4070(49) 1_555 1_555 C31 H22 2.550(24) 1_555 4_565 C31 H111 2.566(20) 1_555 4_555 C31 H21 2.704(11) 1_555 4_555 C31 H32 2.739(23) 1_555 1_655 C31 C61 2.745(10) 1_555 1_555 C31 H32 2.914(19) 1_555 4_565 C31 H41 2.947(13) 1_555 4_465 C31 H42 2.962(14) 1_555 4_555 C31 H42 3.125(17) 1_555 1_655 C41 H41 1.0608(33) 1_555 1_555 C41 C51 1.3911(34) 1_555 1_555 C41 C31 1.3911(34) 1_555 1_555 C41 H51 2.1523(61) 1_555 1_555 C41 H31 2.1523(61) 1_555 1_555 C41 H111 2.387(24) 1_555 4_555 C41 C61 2.4111(54) 1_555 1_555 C41 C21 2.4111(54) 1_555 1_555 C41 H32 2.597(16) 1_555 4_565 C41 H32 2.688(17) 1_555 1_655 C41 H21 2.707(19) 1_555 1_565 C41 C11 2.8125(35) 1_555 1_555 C41 H21 2.895(18) 1_555 4_555 C41 H22 2.946(21) 1_555 4_565 C41 H41 3.1479(52) 1_555 4_465 C41 C61 3.174(13) 1_555 4_565 C51 H51 1.0608(33) 1_555 1_555 C51 C61 1.3811(33) 1_555 1_555 C51 C41 1.3911(34) 1_555 1_555 C51 H61 2.1215(81) 1_555 1_555 C51 H41 2.1422(44) 1_555 1_555 C51 H111 2.355(22) 1_555 4_555 C51 C31 2.3803(70) 1_555 1_555 C51 C11 2.4070(49) 1_555 1_555 C51 H21 2.534(16) 1_555 1_565 C51 H62 2.729(17) 1_555 3_665 C51 C21 2.745(10) 1_555 1_555 C51 H111 2.746(33) 1_555 1_565 C51 H61 2.984(11) 1_555 4_565 C51 H112 3.011(35) 1_555 4_565 C51 C61 3.0289(96) 1_555 4_565 C51 C21 3.078(11) 1_555 1_565 C51 C11 3.112(25) 1_555 4_565 C51 N11 3.145(25) 1_555 1_565 C51 H41 3.150(11) 1_555 4_465 C51 H32 3.164(15) 1_555 4_565 C61 H61 1.0608(33) 1_555 1_555 C61 C11 1.3796(94) 1_555 1_555 C61 C51 1.3811(33) 1_555 1_555 C61 H51 2.0884(54) 1_555 1_555 C61 C21 2.364(19) 1_555 1_555 C61 N11 2.4035(84) 1_555 1_555 C61 C41 2.4111(54) 1_555 1_555 C61 H62 2.491(21) 1_555 3_665 C61 H111 2.535(16) 1_555 4_555 C61 H112 2.6291(95) 1_555 1_555 C61 H122 2.659(34) 1_555 3_665 C61 H111 2.709(23) 1_555 1_565 C61 H51 2.714(10) 1_555 4_465 C61 C31 2.745(10) 1_555 1_555 C61 H41 2.989(15) 1_555 4_465 C61 C51 3.0289(96) 1_555 4_465 C61 H62 3.032(26) 1_555 2_555 C61 H112 3.087(32) 1_555 4_555 C61 H52 3.156(16) 1_555 2_555 C61 C41 3.174(13) 1_555 4_465 H111 N11 1.0249(35) 1_555 1_555 H111 H112 1.703(10) 1_555 1_555 H111 C11 2.0500(55) 1_555 1_555 H111 H21 2.350(13) 1_555 1_555 H111 C51 2.355(22) 1_555 4_455 H111 C41 2.387(24) 1_555 4_455 H111 H62 2.450(25) 1_555 2_545 H111 H61 2.513(21) 1_555 1_545 H111 C61 2.535(16) 1_555 4_455 H111 H51 2.551(37) 1_555 1_545 H111 C31 2.566(20) 1_555 4_455 H111 C21 2.5715(93) 1_555 1_555 H111 C61 2.709(23) 1_555 1_545 H111 C21 2.731(23) 1_555 4_455 H111 C11 2.737(21) 1_555 4_455 H111 C51 2.746(33) 1_555 1_545 H111 H51 2.873(45) 1_555 4_465 H111 H122 2.927(25) 1_555 3_665 H111 H51 2.978(26) 1_555 4_455 H111 H41 3.021(28) 1_555 4_455 H111 H122 3.064(40) 1_555 2_545 H111 C62 3.156(24) 1_555 2_545 H112 N11 1.0249(35) 1_555 1_555 H112 H111 1.703(10) 1_555 1_555 H112 N12 1.898(28) 1_555 2_545 H112 H122 1.976(33) 1_555 2_545 H112 H51 1.996(35) 1_555 4_465 H112 C11 2.0500(55) 1_555 1_555 H112 H122 2.282(33) 1_555 3_665 H112 H61 2.444(14) 1_555 1_555 H112 H62 2.573(34) 1_555 2_545 H112 C12 2.584(23) 1_555 2_545 H112 C61 2.6291(95) 1_555 1_555 H112 H121 2.678(34) 1_555 2_545 H112 H52 2.759(30) 1_555 2_555 H112 C62 2.827(28) 1_555 2_545 H112 C11 2.903(22) 1_555 4_455 H112 C51 3.011(35) 1_555 4_465 H112 H62 3.069(41) 1_555 2_555 H112 C61 3.087(32) 1_555 4_455 H112 N11 3.128(11) 1_555 4_455 H21 C21 1.0608(33) 1_555 1_555 H21 H32 1.873(26) 1_555 4_555 H21 C11 2.1045(96) 1_555 1_555 H21 C31 2.1215(81) 1_555 1_555 H21 H111 2.350(13) 1_555 1_555 H21 H31 2.394(13) 1_555 1_555 H21 H51 2.397(21) 1_555 1_545 H21 C51 2.534(16) 1_555 1_545 H21 C32 2.537(24) 1_555 4_555 H21 H31 2.582(12) 1_555 4_455 H21 N11 2.613(11) 1_555 1_555 H21 C31 2.704(11) 1_555 4_455 H21 C41 2.707(19) 1_555 1_545 H21 H41 2.709(29) 1_555 1_545 H21 H42 2.727(20) 1_555 4_555 H21 C41 2.895(18) 1_555 4_455 H21 H41 2.924(21) 1_555 4_455 H21 C42 2.941(20) 1_555 4_555 H31 C31 1.0608(33) 1_555 1_555 H31 H22 1.941(25) 1_555 4_565 H31 C21 2.0884(54) 1_555 1_555 H31 C41 2.1523(61) 1_555 1_555 H31 H42 2.157(18) 1_555 1_655 H31 H32 2.286(29) 1_555 1_655 H31 H21 2.394(13) 1_555 1_555 H31 H41 2.5053(88) 1_555 1_555 H31 H21 2.582(12) 1_555 4_555 H31 C42 2.633(16) 1_555 4_555 H31 H42 2.658(18) 1_555 4_555 H31 C42 2.666(17) 1_555 1_655 H31 C32 2.719(23) 1_555 1_655 H31 C32 2.895(19) 1_555 4_555 H31 C22 2.925(24) 1_555 4_565 H31 H32 3.116(20) 1_555 4_555 H31 H32 3.195(20) 1_555 4_565 H41 C41 1.0608(33) 1_555 1_555 H41 C51 2.1422(44) 1_555 1_555 H41 C31 2.1422(44) 1_555 1_555 H41 H32 2.160(18) 1_555 1_655 H41 H51 2.5053(88) 1_555 1_555 H41 H31 2.5053(88) 1_555 1_555 H41 H32 2.651(19) 1_555 4_565 H41 H21 2.709(29) 1_555 1_565 H41 H22 2.761(20) 1_555 4_565 H41 C21 2.776(20) 1_555 4_565 H41 H42 2.804(15) 1_555 1_665 H41 C11 2.812(19) 1_555 4_565 H41 H21 2.924(21) 1_555 4_555 H41 C31 2.947(13) 1_555 4_565 H41 C61 2.989(15) 1_555 4_565 H41 C32 3.001(14) 1_555 4_565 H41 H111 3.021(28) 1_555 4_555 H41 C22 3.041(17) 1_555 4_565 H41 C32 3.100(16) 1_555 1_655 H41 C41 3.1479(52) 1_555 4_565 H41 C51 3.150(11) 1_555 4_565 H51 C51 1.0608(33) 1_555 1_555 H51 H112 1.996(35) 1_555 4_565 H51 C61 2.0884(54) 1_555 1_555 H51 C41 2.1523(61) 1_555 1_555 H51 H61 2.394(13) 1_555 1_555 H51 H21 2.397(21) 1_555 1_565 H51 N11 2.440(38) 1_555 4_565 H51 C11 2.485(28) 1_555 4_565 H51 H41 2.5053(88) 1_555 1_555 H51 H111 2.551(37) 1_555 1_565 H51 C21 2.560(16) 1_555 1_565 H51 N11 2.590(31) 1_555 1_565 H51 H61 2.647(13) 1_555 4_565 H51 H62 2.665(22) 1_555 3_665 H51 C11 2.699(18) 1_555 1_565 H51 C61 2.714(10) 1_555 4_565 H51 H122 2.794(29) 1_555 3_675 H51 H111 2.873(45) 1_555 4_565 H51 H111 2.978(26) 1_555 4_555 H51 N12 3.046(19) 1_555 3_675 H61 C61 1.0608(33) 1_555 1_555 H61 C11 2.1045(96) 1_555 1_555 H61 H62 2.112(27) 1_555 2_555 H61 C51 2.1215(81) 1_555 1_555 H61 H52 2.243(19) 1_555 2_555 H61 H62 2.258(23) 1_555 3_665 H61 H51 2.394(13) 1_555 1_555 H61 H112 2.444(14) 1_555 1_555 H61 H122 2.464(40) 1_555 3_665 H61 H111 2.513(21) 1_555 1_565 H61 C62 2.569(25) 1_555 2_555 H61 N11 2.613(11) 1_555 1_555 H61 H51 2.647(13) 1_555 4_465 H61 C52 2.653(17) 1_555 2_555 H61 N11 2.975(12) 1_555 1_565 H61 C51 2.984(11) 1_555 4_465 H61 H121 3.028(26) 1_555 3_675 H61 C62 3.084(22) 1_555 3_665 N12 H122 1.0249(35) 1_555 1_555 N12 H121 1.0249(35) 1_555 1_555 N12 C12 1.3862(34) 1_555 1_555 N12 H112 1.898(28) 1_555 2_554 N12 C62 2.4035(84) 1_555 1_555 N12 C22 2.4035(84) 1_555 1_555 N12 H52 2.489(32) 1_555 1_565 N12 H52 2.596(39) 1_555 4_555 N12 H62 2.613(11) 1_555 1_555 N12 H22 2.613(11) 1_555 1_555 N12 N11 2.852(30) 1_555 2_554 N12 H62 2.986(13) 1_555 1_565 N12 H51 3.046(19) 1_555 3_674 N12 C52 3.048(25) 1_555 1_565 N12 N11 3.055(29) 1_555 3_664 N12 H122 3.132(11) 1_555 4_465 C12 C22 1.3796(94) 1_555 1_555 C12 C62 1.3796(94) 1_555 1_555 C12 N12 1.3862(34) 1_555 1_555 C12 H122 2.0500(55) 1_555 1_555 C12 H121 2.0500(55) 1_555 1_555 C12 H62 2.1045(96) 1_555 1_555 C12 H22 2.1045(96) 1_555 1_555 C12 C32 2.4070(49) 1_555 1_555 C12 C52 2.4070(49) 1_555 1_555 C12 H52 2.553(29) 1_555 4_555 C12 H112 2.584(23) 1_555 2_554 C12 H52 2.665(18) 1_555 1_565 C12 H121 2.758(23) 1_555 4_465 C12 C42 2.8125(35) 1_555 1_555 C12 H122 2.910(21) 1_555 4_465 C12 H42 2.940(20) 1_555 4_555 C12 C52 3.200(26) 1_555 4_555 C22 H22 1.0608(33) 1_555 1_555 C22 C12 1.3796(94) 1_555 1_555 C22 C32 1.3811(33) 1_555 1_555 C22 H32 2.0884(54) 1_555 1_555 C22 C62 2.364(19) 1_555 1_555 C22 N12 2.4035(84) 1_555 1_555 C22 C42 2.4111(54) 1_555 1_555 C22 H121 2.5792(93) 1_555 1_555 C22 H52 2.607(17) 1_555 1_565 C22 C52 2.745(10) 1_555 1_555 C22 H121 2.824(24) 1_555 4_465 C22 H42 2.829(21) 1_555 4_555 C22 H31 2.925(24) 1_555 4_465 C22 H41 3.041(17) 1_555 4_465 C22 C52 3.104(11) 1_555 1_565 C22 H42 3.182(23) 1_555 1_565 C32 H32 1.0608(33) 1_555 1_555 C32 C22 1.3811(33) 1_555 1_555 C32 C42 1.3911(34) 1_555 1_555 C32 H22 2.1215(81) 1_555 1_555 C32 H42 2.1422(44) 1_555 1_555 C32 C52 2.3803(70) 1_555 1_555 C32 C12 2.4070(49) 1_555 1_555 C32 H21 2.537(24) 1_555 4_455 C32 H121 2.681(21) 1_555 4_465 C32 H31 2.719(23) 1_555 1_455 C32 C62 2.745(10) 1_555 1_555 C32 H22 2.752(12) 1_555 4_465 C32 H31 2.895(19) 1_555 4_455 C32 H42 2.960(14) 1_555 4_555 C32 H41 3.001(14) 1_555 4_465 C32 H41 3.100(16) 1_555 1_455 C42 H42 1.0608(33) 1_555 1_555 C42 C52 1.3911(34) 1_555 1_555 C42 C32 1.3911(34) 1_555 1_555 C42 H32 2.1523(61) 1_555 1_555 C42 H52 2.1523(61) 1_555 1_555 C42 C62 2.4111(54) 1_555 1_555 C42 C22 2.4111(54) 1_555 1_555 C42 H121 2.444(25) 1_555 4_465 C42 H31 2.633(16) 1_555 4_455 C42 H31 2.666(17) 1_555 1_455 C42 H22 2.668(19) 1_555 1_545 C42 C12 2.8125(35) 1_555 1_555 C42 H22 2.927(19) 1_555 4_465 C42 H21 2.941(20) 1_555 4_455 C42 H42 3.1930(56) 1_555 4_555 C52 H52 1.0608(33) 1_555 1_555 C52 C62 1.3811(33) 1_555 1_555 C52 C42 1.3911(34) 1_555 1_555 C52 H62 2.1215(81) 1_555 1_555 C52 H42 2.1422(44) 1_555 1_555 C52 H121 2.326(23) 1_555 4_465 C52 C32 2.3803(70) 1_555 1_555 C52 C12 2.4070(49) 1_555 1_555 C52 H22 2.577(17) 1_555 1_545 C52 H61 2.653(17) 1_555 2_544 C52 H121 2.693(34) 1_555 1_545 C52 C22 2.745(10) 1_555 1_555 C52 N12 3.048(25) 1_555 1_545 C52 C62 3.102(11) 1_555 4_455 C52 C22 3.104(11) 1_555 1_545 C52 H62 3.106(12) 1_555 4_455 C52 H122 3.184(37) 1_555 4_455 C52 C12 3.200(26) 1_555 4_455 C62 H62 1.0608(33) 1_555 1_555 C62 C12 1.3796(94) 1_555 1_555 C62 C52 1.3811(33) 1_555 1_555 C62 H52 2.0884(54) 1_555 1_555 C62 C22 2.364(19) 1_555 1_555 C62 N12 2.4035(84) 1_555 1_555 C62 C42 2.4111(54) 1_555 1_555 C62 H121 2.493(17) 1_555 4_465 C62 H61 2.569(25) 1_555 2_544 C62 H122 2.6418(96) 1_555 1_555 C62 H121 2.715(23) 1_555 1_545 C62 H52 2.745(11) 1_555 4_555 C62 C32 2.745(10) 1_555 1_555 C62 H112 2.827(28) 1_555 2_554 C62 H122 2.999(31) 1_555 4_465 C62 H61 3.084(22) 1_555 3_664 C62 C52 3.102(11) 1_555 4_555 C62 N11 3.118(19) 1_555 2_554 C62 H42 3.143(17) 1_555 4_555 C62 H111 3.156(24) 1_555 2_554 H121 N12 1.0249(35) 1_555 1_555 H121 H122 1.665(10) 1_555 1_555 H121 C12 2.0500(55) 1_555 1_555 H121 C52 2.326(23) 1_555 4_565 H121 H22 2.362(13) 1_555 1_555 H121 C42 2.444(25) 1_555 4_565 H121 C62 2.493(17) 1_555 4_565 H121 H52 2.506(38) 1_555 1_565 H121 H62 2.576(22) 1_555 1_565 H121 C22 2.5792(93) 1_555 1_555 H121 H112 2.678(34) 1_555 2_554 H121 C32 2.681(21) 1_555 4_565 H121 C52 2.693(34) 1_555 1_565 H121 C62 2.715(23) 1_555 1_565 H121 C12 2.758(23) 1_555 4_565 H121 C22 2.824(24) 1_555 4_565 H121 H52 2.909(27) 1_555 4_565 H121 H52 2.978(46) 1_555 4_555 H121 H61 3.028(26) 1_555 3_674 H121 H42 3.076(29) 1_555 4_565 H121 H62 3.143(19) 1_555 4_565 H122 N12 1.0249(35) 1_555 1_555 H122 H121 1.665(10) 1_555 1_555 H122 H112 1.976(33) 1_555 2_554 H122 C12 2.0500(55) 1_555 1_555 H122 N11 2.123(25) 1_555 3_664 H122 H52 2.161(37) 1_555 4_555 H122 H112 2.282(33) 1_555 3_664 H122 H61 2.464(40) 1_555 3_664 H122 H62 2.466(14) 1_555 1_555 H122 C11 2.548(28) 1_555 3_664 H122 C62 2.6418(96) 1_555 1_555 H122 C61 2.659(34) 1_555 3_664 H122 H51 2.794(29) 1_555 3_674 H122 N11 2.880(34) 1_555 2_554 H122 C12 2.910(21) 1_555 4_565 H122 H111 2.927(25) 1_555 3_664 H122 C62 2.999(31) 1_555 4_565 H122 H111 3.064(40) 1_555 2_554 H122 N12 3.132(11) 1_555 4_565 H122 C52 3.184(37) 1_555 4_555 H22 C22 1.0608(33) 1_555 1_555 H22 H31 1.941(25) 1_555 4_465 H22 C12 2.1045(96) 1_555 1_555 H22 C32 2.1215(81) 1_555 1_555 H22 H121 2.362(13) 1_555 1_555 H22 H32 2.394(13) 1_555 1_555 H22 H52 2.459(23) 1_555 1_565 H22 C31 2.550(24) 1_555 4_465 H22 C52 2.577(17) 1_555 1_565 H22 N12 2.613(11) 1_555 1_555 H22 H42 2.621(29) 1_555 1_565 H22 C42 2.668(19) 1_555 1_565 H22 H32 2.685(12) 1_555 4_565 H22 C32 2.752(12) 1_555 4_565 H22 H41 2.761(20) 1_555 4_465 H22 C42 2.927(19) 1_555 4_565 H22 C41 2.946(21) 1_555 4_465 H22 H42 2.992(22) 1_555 4_565 H32 C32 1.0608(33) 1_555 1_555 H32 H21 1.873(26) 1_555 4_455 H32 C22 2.0884(54) 1_555 1_555 H32 C42 2.1523(61) 1_555 1_555 H32 H41 2.160(18) 1_555 1_455 H32 H31 2.286(29) 1_555 1_455 H32 H22 2.394(13) 1_555 1_555 H32 H42 2.5053(88) 1_555 1_555 H32 C41 2.597(16) 1_555 4_465 H32 H41 2.651(19) 1_555 4_465 H32 H22 2.685(12) 1_555 4_465 H32 C41 2.688(17) 1_555 1_455 H32 C31 2.739(23) 1_555 1_455 H32 C21 2.850(24) 1_555 4_455 H32 C31 2.914(19) 1_555 4_465 H32 H31 3.116(20) 1_555 4_455 H32 C51 3.164(15) 1_555 4_465 H32 H31 3.195(20) 1_555 4_465 H42 C42 1.0608(33) 1_555 1_555 H42 C52 2.1422(44) 1_555 1_555 H42 C32 2.1422(44) 1_555 1_555 H42 H31 2.157(18) 1_555 1_455 H42 H52 2.5053(88) 1_555 1_555 H42 H32 2.5053(88) 1_555 1_555 H42 H22 2.621(29) 1_555 1_545 H42 H31 2.658(18) 1_555 4_455 H42 H21 2.727(20) 1_555 4_455 H42 H41 2.804(15) 1_555 1_445 H42 C22 2.829(21) 1_555 4_455 H42 C12 2.940(20) 1_555 4_455 H42 C32 2.960(14) 1_555 4_455 H42 C31 2.962(14) 1_555 4_455 H42 C21 2.981(17) 1_555 4_455 H42 H22 2.992(22) 1_555 4_465 H42 H121 3.076(29) 1_555 4_465 H42 C31 3.125(17) 1_555 1_455 H42 C62 3.143(17) 1_555 4_455 H42 C22 3.182(23) 1_555 1_545 H42 C42 3.1930(56) 1_555 4_455 H52 C52 1.0608(33) 1_555 1_555 H52 C62 2.0884(54) 1_555 1_555 H52 C42 2.1523(61) 1_555 1_555 H52 H122 2.161(37) 1_555 4_455 H52 H61 2.243(19) 1_555 2_544 H52 H62 2.394(13) 1_555 1_555 H52 H22 2.459(23) 1_555 1_545 H52 N12 2.489(32) 1_555 1_545 H52 H42 2.5053(88) 1_555 1_555 H52 H121 2.506(38) 1_555 1_545 H52 C12 2.553(29) 1_555 4_455 H52 N12 2.596(39) 1_555 4_455 H52 C22 2.607(17) 1_555 1_545 H52 C12 2.665(18) 1_555 1_545 H52 H62 2.711(13) 1_555 4_455 H52 C62 2.745(11) 1_555 4_455 H52 H112 2.759(30) 1_555 2_544 H52 H121 2.909(27) 1_555 4_465 H52 H121 2.978(46) 1_555 4_455 H52 C61 3.156(16) 1_555 2_544 H62 C62 1.0608(33) 1_555 1_555 H62 C12 2.1045(96) 1_555 1_555 H62 H61 2.112(27) 1_555 2_544 H62 C52 2.1215(81) 1_555 1_555 H62 H61 2.258(23) 1_555 3_664 H62 H52 2.394(13) 1_555 1_555 H62 H111 2.450(25) 1_555 2_554 H62 H122 2.466(14) 1_555 1_555 H62 C61 2.491(21) 1_555 3_664 H62 H112 2.573(34) 1_555 2_554 H62 H121 2.576(22) 1_555 1_545 H62 N12 2.613(11) 1_555 1_555 H62 H51 2.665(22) 1_555 3_664 H62 H52 2.711(13) 1_555 4_555 H62 N11 2.722(24) 1_555 2_554 H62 C51 2.729(17) 1_555 3_664 H62 N12 2.986(13) 1_555 1_545 H62 C61 3.032(26) 1_555 2_544 H62 H112 3.069(41) 1_555 2_544 H62 C52 3.106(12) 1_555 4_555 H62 H121 3.143(19) 1_555 4_465 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 H111 N11 H112 112.39(82) 1_555 1_555 1_555 C11 N11 H111 115.66(34) 1_555 1_555 1_555 C11 N11 H112 115.66(34) 1_555 1_555 1_555 H122 N11 C11 90.58(82) 3_665 1_555 1_555 H122 N11 H111 133.7(13) 3_665 1_555 1_555 H122 N11 H112 85.4(12) 3_665 1_555 1_555 C61 N11 H122 71.64(92) 1_555 1_555 3_665 C61 N11 C11 29.58(20) 1_555 1_555 1_555 C61 N11 H111 144.64(40) 1_555 1_555 1_555 C61 N11 H112 90.99(41) 1_555 1_555 1_555 C21 N11 C61 58.93(40) 1_555 1_555 1_555 C21 N11 H122 105.36(84) 1_555 1_555 3_665 C21 N11 C11 29.58(20) 1_555 1_555 1_555 C21 N11 H111 87.50(40) 1_555 1_555 1_555 C21 N11 H112 140.83(42) 1_555 1_555 1_555 H51 N11 C21 90.52(46) 4_465 1_555 1_555 H51 N11 C61 68.14(51) 4_465 1_555 1_555 H51 N11 H122 119.4(16) 4_465 1_555 3_665 H51 N11 C11 75.42(46) 4_465 1_555 1_555 H51 N11 H111 104.45(93) 4_465 1_555 1_555 H51 N11 H112 52.81(78) 4_465 1_555 1_555 H51 N11 H51 152.08(82) 1_545 1_555 4_465 H51 N11 C21 61.55(56) 1_545 1_555 1_555 H51 N11 C61 94.75(48) 1_545 1_555 1_555 H51 N11 H122 71.9(11) 1_545 1_555 3_665 H51 N11 C11 79.19(55) 1_545 1_555 1_555 H51 N11 H111 76.34(81) 1_545 1_555 1_555 H51 N11 H112 153.36(81) 1_545 1_555 1_555 H61 N11 H51 109.68(49) 1_555 1_555 1_545 H61 N11 H51 63.07(62) 1_555 1_555 4_465 H61 N11 C21 82.85(39) 1_555 1_555 1_555 H61 N11 C61 23.95(12) 1_555 1_555 1_555 H61 N11 H122 61.7(11) 1_555 1_555 3_665 H61 N11 C11 53.38(21) 1_555 1_555 1_555 H61 N11 H111 164.00(52) 1_555 1_555 1_555 H61 N11 H112 69.17(46) 1_555 1_555 1_555 H21 N11 H61 106.75(42) 1_555 1_555 1_555 H21 N11 H51 54.86(53) 1_555 1_555 1_545 H21 N11 H51 99.76(58) 1_555 1_555 4_465 H21 N11 C21 23.95(12) 1_555 1_555 1_555 H21 N11 C61 82.85(39) 1_555 1_555 1_555 H21 N11 H122 118.13(96) 1_555 1_555 3_665 H21 N11 C11 53.38(21) 1_555 1_555 1_555 H21 N11 H111 63.87(41) 1_555 1_555 1_555 H21 N11 H112 151.78(59) 1_555 1_555 1_555 H62 N11 H21 123.4(10) 2_545 1_555 1_555 H62 N11 H61 128.88(90) 2_545 1_555 1_555 H62 N11 H51 93.01(75) 2_545 1_555 1_545 H62 N11 H51 112.65(92) 2_545 1_555 4_465 H62 N11 C21 146.3(11) 2_545 1_555 1_555 H62 N11 C61 151.51(80) 2_545 1_555 1_555 H62 N11 H122 84.9(10) 2_545 1_555 3_665 H62 N11 C11 171.9(11) 2_545 1_555 1_555 H62 N11 H111 63.84(90) 2_545 1_555 1_555 H62 N11 H112 70.7(11) 2_545 1_555 1_555 N12 N11 H62 55.85(52) 2_545 1_555 2_545 N12 N11 H21 165.34(76) 2_545 1_555 1_555 N12 N11 H61 78.22(94) 2_545 1_555 1_555 N12 N11 H51 137.32(75) 2_545 1_555 1_545 N12 N11 H51 69.78(86) 2_545 1_555 4_465 N12 N11 C21 157.29(92) 2_545 1_555 1_555 N12 N11 C61 101.79(94) 2_545 1_555 1_555 N12 N11 H122 76.47(97) 2_545 1_555 3_665 N12 N11 C11 129.47(93) 2_545 1_555 1_555 N12 N11 H111 107.8(10) 2_545 1_555 1_555 N12 N11 H112 17.22(99) 2_545 1_555 1_555 H122 N11 N12 20.59(24) 2_545 1_555 2_545 H122 N11 H62 52.14(56) 2_545 1_555 2_545 H122 N11 H21 145.27(81) 2_545 1_555 1_555 H122 N11 H61 92.1(11) 2_545 1_555 1_555 H122 N11 H51 144.68(75) 2_545 1_555 1_545 H122 N11 H51 62.71(81) 2_545 1_555 4_465 H122 N11 C21 151.69(80) 2_545 1_555 1_555 H122 N11 C61 113.5(11) 2_545 1_555 1_555 H122 N11 H122 96.4(12) 2_545 1_555 3_665 H122 N11 C11 135.3(10) 2_545 1_555 1_555 H122 N11 H111 90.4(11) 2_545 1_555 1_555 H122 N11 H112 22.9(12) 2_545 1_555 1_555 H61 N11 H122 95.35(65) 1_545 1_555 2_545 H61 N11 N12 96.62(56) 1_545 1_555 2_545 H61 N11 H62 43.25(60) 1_545 1_555 2_545 H61 N11 H21 87.93(56) 1_545 1_555 1_555 H61 N11 H61 141.30(54) 1_545 1_555 1_555 H61 N11 H51 50.38(40) 1_545 1_555 1_545 H61 N11 H51 150.91(62) 1_545 1_555 4_465 H61 N11 C21 106.01(64) 1_545 1_555 1_555 H61 N11 C61 140.93(71) 1_545 1_555 1_555 H61 N11 H122 79.8(11) 1_545 1_555 3_665 H61 N11 C11 129.28(76) 1_545 1_555 1_555 H61 N11 H111 53.97(82) 1_545 1_555 1_555 H61 N11 H112 112.99(79) 1_545 1_555 1_555 N12 N11 H61 70.33(71) 3_665 1_555 1_545 N12 N11 H122 98.92(80) 3_665 1_555 2_545 N12 N11 N12 80.03(66) 3_665 1_555 2_545 N12 N11 H62 79.41(66) 3_665 1_555 2_545 N12 N11 H21 114.59(65) 3_665 1_555 1_555 N12 N11 H61 71.01(64) 3_665 1_555 1_555 N12 N11 H51 64.70(69) 3_665 1_555 1_545 N12 N11 H51 128.7(12) 3_665 1_555 4_465 N12 N11 C21 105.57(56) 3_665 1_555 1_555 N12 N11 C61 79.28(55) 3_665 1_555 1_555 N12 N11 H122 9.63(51) 3_665 1_555 3_665 N12 N11 C11 95.16(53) 3_665 1_555 1_555 N12 N11 H111 124.16(92) 3_665 1_555 1_555 N12 N11 H112 91.01(95) 3_665 1_555 1_555 C62 N11 N12 62.46(57) 2_545 1_555 3_665 C62 N11 H61 49.82(53) 2_545 1_555 1_545 C62 N11 H122 52.08(44) 2_545 1_555 2_545 C62 N11 N12 47.22(38) 2_545 1_555 2_545 C62 N11 H62 19.45(15) 2_545 1_555 2_545 C62 N11 H21 137.24(92) 2_545 1_555 1_555 C62 N11 H61 111.13(77) 2_545 1_555 1_555 C62 N11 H51 93.36(64) 2_545 1_555 1_545 C62 N11 H51 114.51(93) 2_545 1_555 4_465 C62 N11 C21 154.67(93) 2_545 1_555 1_555 C62 N11 C61 132.43(70) 2_545 1_555 1_555 C62 N11 H122 66.71(95) 2_545 1_555 3_665 C62 N11 C11 157.29(69) 2_545 1_555 1_555 C62 N11 H111 82.68(83) 2_545 1_555 1_555 C62 N11 H112 64.2(10) 2_545 1_555 1_555 H112 N11 C62 92.79(83) 4_555 1_555 2_545 H112 N11 N12 35.72(57) 4_555 1_555 3_665 H112 N11 H61 74.6(12) 4_555 1_555 1_545 H112 N11 H122 134.56(53) 4_555 1_555 2_545 H112 N11 N12 115.00(59) 4_555 1_555 2_545 H112 N11 H62 104.8(11) 4_555 1_555 2_545 H112 N11 H21 79.63(45) 4_555 1_555 1_555 H112 N11 H61 73.22(76) 4_555 1_555 1_555 H112 N11 H51 39.46(82) 4_555 1_555 1_545 H112 N11 H51 134.2(13) 4_555 1_555 4_465 H112 N11 C21 70.47(43) 4_555 1_555 1_555 H112 N11 C61 66.36(74) 4_555 1_555 1_555 H112 N11 H122 38.57(92) 4_555 1_555 3_665 H112 N11 C11 67.78(62) 4_555 1_555 1_555 H112 N11 H111 115.41(96) 4_555 1_555 1_555 H112 N11 H112 122.91(93) 4_555 1_555 1_555 C51 N11 H112 57.38(95) 1_545 1_555 4_555 C51 N11 C62 89.26(61) 1_545 1_555 2_545 C51 N11 N12 78.04(75) 1_545 1_555 3_665 C51 N11 H61 40.45(29) 1_545 1_555 1_545 C51 N11 H122 134.62(75) 1_545 1_555 2_545 C51 N11 N12 136.48(64) 1_545 1_555 2_545 C51 N11 H62 83.30(72) 1_545 1_555 2_545 C51 N11 H21 51.20(42) 1_545 1_555 1_555 C51 N11 H61 127.50(55) 1_545 1_555 1_555 C51 N11 H51 18.23(14) 1_545 1_555 1_545 C51 N11 H51 149.69(85) 1_545 1_555 4_465 C51 N11 C21 65.82(47) 1_545 1_555 1_555 C51 N11 C61 110.34(54) 1_545 1_555 1_555 C51 N11 H122 86.4(12) 1_545 1_555 3_665 C51 N11 C11 89.73(51) 1_545 1_555 1_555 C51 N11 H111 58.16(84) 1_545 1_555 1_555 C51 N11 H112 153.34(62) 1_545 1_555 1_555 C11 N11 C51 112.89(69) 4_455 1_555 1_545 C11 N11 H112 170.0(17) 4_455 1_555 4_555 C11 N11 C62 84.21(46) 4_455 1_555 2_545 C11 N11 N12 145.31(47) 4_455 1_555 3_665 C11 N11 H61 96.25(60) 4_455 1_555 1_545 C11 N11 H122 49.22(58) 4_455 1_555 2_545 C11 N11 N12 69.65(65) 4_455 1_555 2_545 C11 N11 H62 69.90(58) 4_455 1_555 2_545 C11 N11 H21 96.06(48) 4_455 1_555 1_555 C11 N11 H61 116.8(11) 4_455 1_555 1_555 C11 N11 H51 130.98(80) 4_455 1_555 1_545 C11 N11 H51 55.25(62) 4_455 1_555 4_465 C11 N11 C21 108.91(38) 4_455 1_555 1_555 C11 N11 C61 122.39(99) 4_455 1_555 1_555 C11 N11 H122 145.21(94) 4_455 1_555 3_665 C11 N11 C11 116.91(72) 4_455 1_555 1_555 C11 N11 H111 54.7(12) 4_455 1_555 1_555 C11 N11 H112 64.22(94) 4_455 1_555 1_555 C61 C11 C21 117.94(52) 1_555 1_555 1_555 N11 C11 C61 120.68(26) 1_555 1_555 1_555 N11 C11 C21 120.68(26) 1_555 1_555 1_555 H112 C11 N11 26.78(15) 1_555 1_555 1_555 H112 C11 C61 98.19(32) 1_555 1_555 1_555 H112 C11 C21 143.39(36) 1_555 1_555 1_555 H111 C11 H112 49.09(34) 1_555 1_555 1_555 H111 C11 N11 26.78(15) 1_555 1_555 1_555 H111 C11 C61 146.91(32) 1_555 1_555 1_555 H111 C11 C21 95.14(31) 1_555 1_555 1_555 H21 C11 H111 68.87(33) 1_555 1_555 1_555 H21 C11 H112 117.38(37) 1_555 1_555 1_555 H21 C11 N11 94.71(29) 1_555 1_555 1_555 H21 C11 C61 144.22(52) 1_555 1_555 1_555 H21 C11 C21 26.28(19) 1_555 1_555 1_555 H61 C11 H21 170.49(58) 1_555 1_555 1_555 H61 C11 H111 120.64(34) 1_555 1_555 1_555 H61 C11 H112 72.07(36) 1_555 1_555 1_555 H61 C11 N11 94.71(29) 1_555 1_555 1_555 H61 C11 C61 26.28(19) 1_555 1_555 1_555 H61 C11 C21 144.22(52) 1_555 1_555 1_555 C31 C11 H61 114.88(35) 1_555 1_555 1_555 C31 C11 H21 55.61(25) 1_555 1_555 1_555 C31 C11 H111 124.47(20) 1_555 1_555 1_555 C31 C11 H112 170.90(40) 1_555 1_555 1_555 C31 C11 N11 149.36(11) 1_555 1_555 1_555 C31 C11 C61 88.60(32) 1_555 1_555 1_555 C31 C11 C21 29.34(21) 1_555 1_555 1_555 C51 C11 C31 59.27(18) 1_555 1_555 1_555 C51 C11 H61 55.61(25) 1_555 1_555 1_555 C51 C11 H21 114.88(35) 1_555 1_555 1_555 C51 C11 H111 176.14(19) 1_555 1_555 1_555 C51 C11 H112 127.33(21) 1_555 1_555 1_555 C51 C11 N11 149.36(11) 1_555 1_555 1_555 C51 C11 C61 29.34(21) 1_555 1_555 1_555 C51 C11 C21 88.60(32) 1_555 1_555 1_555 H51 C11 C51 100.75(82) 4_465 1_555 1_555 H51 C11 C31 124.27(50) 4_465 1_555 1_555 H51 C11 H61 69.89(75) 4_465 1_555 1_555 H51 C11 H21 114.53(69) 4_465 1_555 1_555 H51 C11 H111 77.97(92) 4_465 1_555 1_555 H51 C11 H112 51.12(68) 4_465 1_555 1_555 H51 C11 N11 71.90(73) 4_465 1_555 1_555 H51 C11 C61 84.03(83) 4_465 1_555 1_555 H51 C11 C21 123.27(51) 4_465 1_555 1_555 H122 C11 H51 103.15(88) 3_665 1_555 4_465 H122 C11 C51 98.60(66) 3_665 1_555 1_555 H122 C11 C31 129.44(79) 3_665 1_555 1_555 H122 C11 H61 63.12(92) 3_665 1_555 1_555 H122 C11 H21 121.80(94) 3_665 1_555 1_555 H122 C11 H111 78.25(73) 3_665 1_555 1_555 H122 C11 H112 58.32(79) 3_665 1_555 1_555 H122 C11 N11 56.45(63) 3_665 1_555 1_555 H122 C11 C61 79.15(79) 3_665 1_555 1_555 H122 C11 C21 130.82(96) 3_665 1_555 1_555 H51 C11 H122 64.28(84) 1_545 1_555 3_665 H51 C11 H51 140.68(53) 1_545 1_555 4_465 H51 C11 C51 117.51(65) 1_545 1_555 1_555 H51 C11 C31 85.55(69) 1_545 1_555 1_555 H51 C11 H61 124.19(46) 1_545 1_555 1_555 H51 C11 H21 58.31(49) 1_545 1_555 1_555 H51 C11 H111 63.25(80) 1_545 1_555 1_555 H51 C11 H112 95.28(77) 1_545 1_555 1_555 H51 C11 N11 70.51(75) 1_545 1_555 1_555 H51 C11 C61 125.55(50) 1_545 1_555 1_555 H51 C11 C21 69.30(61) 1_545 1_555 1_555 H111 C11 H51 63.8(11) 4_555 1_555 1_545 H111 C11 H122 70.75(81) 4_555 1_555 3_665 H111 C11 H51 150.8(13) 4_555 1_555 4_465 H111 C11 C51 54.03(66) 4_555 1_555 1_555 H111 C11 C31 59.43(48) 4_555 1_555 1_555 H111 C11 H61 82.44(53) 4_555 1_555 1_555 H111 C11 H21 91.55(48) 4_555 1_555 1_555 H111 C11 H111 126.11(74) 4_555 1_555 1_555 H111 C11 H112 128.92(70) 4_555 1_555 1_555 H111 C11 N11 120.96(68) 4_555 1_555 1_555 H111 C11 C61 66.85(61) 4_555 1_555 1_555 H111 C11 C21 75.12(44) 4_555 1_555 1_555 H41 C11 H111 118.98(68) 4_465 1_555 4_555 H41 C11 H51 141.11(69) 4_465 1_555 1_545 H41 C11 H122 154.4(11) 4_465 1_555 3_665 H41 C11 H51 56.04(46) 4_465 1_555 4_465 H41 C11 C51 73.80(36) 4_465 1_555 1_555 H41 C11 C31 68.25(26) 4_465 1_555 1_555 H41 C11 H61 93.51(51) 4_465 1_555 1_555 H41 C11 H21 82.93(49) 4_465 1_555 1_555 H41 C11 H111 108.10(55) 4_465 1_555 1_555 H41 C11 H112 106.35(49) 4_465 1_555 1_555 H41 C11 N11 120.06(37) 4_465 1_555 1_555 H41 C11 C61 83.49(48) 4_465 1_555 1_555 H41 C11 C21 74.23(42) 4_465 1_555 1_555 C41 C11 H41 68.06(22) 1_555 1_555 4_465 C41 C11 H111 50.92(61) 1_555 1_555 4_555 C41 C11 H51 102.77(71) 1_555 1_555 1_545 C41 C11 H122 116.84(63) 1_555 1_555 3_665 C41 C11 H51 115.54(70) 1_555 1_555 4_465 C41 C11 C51 29.633(90) 1_555 1_555 1_555 C41 C11 C31 29.633(90) 1_555 1_555 1_555 C41 C11 H61 85.25(29) 1_555 1_555 1_555 C41 C11 H21 85.25(29) 1_555 1_555 1_555 C41 C11 H111 154.10(18) 1_555 1_555 1_555 C41 C11 H112 156.47(18) 1_555 1_555 1_555 C41 C11 N11 171.84(29) 1_555 1_555 1_555 C41 C11 C61 58.97(26) 1_555 1_555 1_555 C41 C11 C21 58.97(26) 1_555 1_555 1_555 H112 C11 C41 85.88(52) 4_555 1_555 1_555 H112 C11 H41 153.90(55) 4_555 1_555 4_465 H112 C11 H111 35.00(21) 4_555 1_555 4_555 H112 C11 H51 41.54(92) 4_555 1_555 1_545 H112 C11 H122 41.89(81) 4_555 1_555 3_665 H112 C11 H51 144.77(38) 4_555 1_555 4_465 H112 C11 C51 84.35(72) 4_555 1_555 1_555 H112 C11 C31 88.49(32) 4_555 1_555 1_555 H112 C11 H61 85.49(70) 4_555 1_555 1_555 H112 C11 H21 93.83(64) 4_555 1_555 1_555 H112 C11 H111 94.61(78) 4_555 1_555 1_555 H112 C11 H112 98.16(57) 4_555 1_555 1_555 H112 C11 N11 85.98(56) 4_555 1_555 1_555 H112 C11 C61 84.29(79) 4_555 1_555 1_555 H112 C11 C21 91.46(43) 4_555 1_555 1_555 C51 C11 H112 151.24(83) 4_465 1_555 4_555 C51 C11 C41 97.86(53) 4_465 1_555 1_555 C51 C11 H41 42.01(33) 4_465 1_555 4_465 C51 C11 H111 138.6(12) 4_465 1_555 4_555 C51 C11 H51 157.30(41) 4_465 1_555 1_545 C51 C11 H122 114.09(94) 4_465 1_555 3_665 C51 C11 H51 17.69(20) 4_465 1_555 4_465 C51 C11 C51 85.17(61) 4_465 1_555 1_555 C51 C11 C31 108.77(40) 4_465 1_555 1_555 C51 C11 H61 66.56(52) 4_465 1_555 1_555 C51 C11 H21 114.87(47) 4_465 1_555 1_555 C51 C11 H111 94.07(75) 4_465 1_555 1_555 C51 C11 H112 67.80(58) 4_465 1_555 1_555 C51 C11 N11 89.58(58) 4_465 1_555 1_555 C51 C11 C61 73.66(61) 4_465 1_555 1_555 C51 C11 C21 114.98(35) 4_465 1_555 1_555 N11 C11 C51 152.8(11) 4_555 1_555 4_465 N11 C11 H112 18.538(86) 4_555 1_555 4_555 N11 C11 C41 67.89(47) 4_555 1_555 1_555 N11 C11 H41 135.55(46) 4_555 1_555 4_465 N11 C11 H111 17.80(17) 4_555 1_555 4_555 N11 C11 H51 47.98(91) 4_555 1_555 1_545 N11 C11 H122 58.88(81) 4_555 1_555 3_665 N11 C11 H51 157.31(74) 4_555 1_555 4_465 N11 C11 C51 71.10(56) 4_555 1_555 1_555 N11 C11 C31 70.70(35) 4_555 1_555 1_555 N11 C11 H61 88.59(48) 4_555 1_555 1_555 N11 C11 H21 87.83(44) 4_555 1_555 1_555 N11 C11 H111 108.70(69) 4_555 1_555 1_555 N11 C11 H112 116.40(58) 4_555 1_555 1_555 N11 C11 N11 103.95(54) 4_555 1_555 1_555 N11 C11 C61 79.15(56) 4_555 1_555 1_555 N11 C11 C21 78.48(34) 4_555 1_555 1_555 C11 C21 H21 118.57(34) 1_555 1_555 1_555 C31 C21 C11 121.36(52) 1_555 1_555 1_555 C31 C21 H21 120.07(62) 1_555 1_555 1_555 H31 C21 C31 26.92(15) 1_555 1_555 1_555 H31 C21 C11 148.27(55) 1_555 1_555 1_555 H31 C21 H21 93.15(65) 1_555 1_555 1_555 C61 C21 H31 117.25(37) 1_555 1_555 1_555 C61 C21 C31 90.33(33) 1_555 1_555 1_555 C61 C21 C11 31.03(26) 1_555 1_555 1_555 C61 C21 H21 149.60(43) 1_555 1_555 1_555 N11 C21 C61 60.54(20) 1_555 1_555 1_555 N11 C21 H31 174.76(28) 1_555 1_555 1_555 N11 C21 C31 150.41(51) 1_555 1_555 1_555 N11 C21 C11 29.74(15) 1_555 1_555 1_555 N11 C21 H21 89.18(37) 1_555 1_555 1_555 C41 C21 N11 120.95(40) 1_555 1_555 1_555 C41 C21 C61 60.64(22) 1_555 1_555 1_555 C41 C21 H31 56.61(23) 1_555 1_555 1_555 C41 C21 C31 29.69(16) 1_555 1_555 1_555 C41 C21 C11 91.67(41) 1_555 1_555 1_555 C41 C21 H21 149.76(53) 1_555 1_555 1_555 H51 C21 C41 120.05(63) 1_545 1_555 1_555 H51 C21 N11 62.82(80) 1_545 1_555 1_555 H51 C21 C61 96.50(50) 1_545 1_555 1_555 H51 C21 H31 113.72(80) 1_545 1_555 1_555 H51 C21 C31 120.67(79) 1_545 1_555 1_555 H51 C21 C11 80.43(66) 1_545 1_555 1_555 H51 C21 H21 69.13(44) 1_545 1_555 1_555 H111 C21 H51 59.61(89) 1_555 1_555 1_545 H111 C21 C41 144.22(44) 1_555 1_555 1_555 H111 C21 N11 23.46(11) 1_555 1_555 1_555 H111 C21 C61 83.59(24) 1_555 1_555 1_555 H111 C21 H31 159.16(57) 1_555 1_555 1_555 H111 C21 C31 173.87(54) 1_555 1_555 1_555 H111 C21 C11 52.56(22) 1_555 1_555 1_555 H111 C21 H21 66.02(41) 1_555 1_555 1_555 H111 C21 H111 107.57(66) 4_555 1_555 1_555 H111 C21 H51 65.68(99) 4_555 1_555 1_545 H111 C21 C41 54.89(68) 4_555 1_555 1_555 H111 C21 N11 90.37(57) 4_555 1_555 1_555 H111 C21 C61 59.16(43) 4_555 1_555 1_555 H111 C21 H31 84.51(53) 4_555 1_555 1_555 H111 C21 C31 68.37(63) 4_555 1_555 1_555 H111 C21 C11 75.65(47) 4_555 1_555 1_555 H111 C21 H21 129.06(59) 4_555 1_555 1_555 C51 C21 H111 50.95(58) 1_555 1_555 4_555 C51 C21 H111 113.79(35) 1_555 1_555 1_555 C51 C21 H51 110.79(47) 1_555 1_555 1_545 C51 C21 C41 30.43(11) 1_555 1_555 1_555 C51 C21 N11 90.63(31) 1_555 1_555 1_555 C51 C21 C61 30.21(14) 1_555 1_555 1_555 C51 C21 H31 87.04(30) 1_555 1_555 1_555 C51 C21 C31 60.12(25) 1_555 1_555 1_555 C51 C21 C11 61.23(33) 1_555 1_555 1_555 C51 C21 H21 179.81(48) 1_555 1_555 1_555 H41 C21 C51 69.59(43) 4_465 1_555 1_555 H41 C21 H111 120.54(93) 4_465 1_555 4_555 H41 C21 H111 95.54(49) 4_465 1_555 1_555 H41 C21 H51 153.78(92) 4_465 1_555 1_545 H41 C21 C41 74.36(35) 4_465 1_555 1_555 H41 C21 N11 91.10(42) 4_465 1_555 1_555 H41 C21 C61 70.59(47) 4_465 1_555 1_555 H41 C21 H31 92.48(33) 4_465 1_555 1_555 H41 C21 C31 83.08(31) 4_465 1_555 1_555 H41 C21 C11 77.19(45) 4_465 1_555 1_555 H41 C21 H21 110.40(42) 4_465 1_555 1_555 H32 C21 H41 103.26(54) 4_555 1_555 4_465 H32 C21 C51 161.92(55) 4_555 1_555 1_555 H32 C21 H111 132.84(94) 4_555 1_555 4_555 H32 C21 H111 82.93(62) 4_555 1_555 1_555 H32 C21 H51 83.12(43) 4_555 1_555 1_545 H32 C21 C41 132.57(67) 4_555 1_555 1_555 H32 C21 N11 106.37(62) 4_555 1_555 1_555 H32 C21 C61 164.54(74) 4_555 1_555 1_555 H32 C21 H31 76.51(77) 4_555 1_555 1_555 H32 C21 C31 103.20(75) 4_555 1_555 1_555 H32 C21 C11 134.86(71) 4_555 1_555 1_555 H32 C21 H21 18.25(65) 4_555 1_555 1_555 H42 C21 H32 50.83(32) 4_555 1_555 4_555 H42 C21 H41 58.16(37) 4_555 1_555 4_465 H42 C21 C51 114.16(44) 4_555 1_555 1_555 H42 C21 H111 143.72(52) 4_555 1_555 4_555 H42 C21 H111 108.60(51) 4_555 1_555 1_555 H42 C21 H51 133.94(56) 4_555 1_555 1_545 H42 C21 C41 95.18(42) 4_555 1_555 1_555 H42 C21 N11 125.01(50) 4_555 1_555 1_555 H42 C21 C61 127.92(52) 4_555 1_555 1_555 H42 C21 H31 60.22(52) 4_555 1_555 1_555 H42 C21 C31 75.78(47) 4_555 1_555 1_555 H42 C21 C11 130.65(54) 4_555 1_555 1_555 H42 C21 H21 65.95(54) 4_555 1_555 1_555 C51 C21 H42 115.17(50) 1_545 1_555 4_555 C51 C21 H32 64.37(40) 1_545 1_555 4_555 C51 C21 H41 150.17(63) 1_545 1_555 4_465 C51 C21 C51 129.73(45) 1_545 1_555 1_555 C51 C21 H111 82.69(89) 1_545 1_555 4_555 C51 C21 H111 57.32(74) 1_545 1_555 1_555 C51 C21 H51 18.983(88) 1_545 1_555 1_545 C51 C21 C41 134.61(58) 1_545 1_555 1_555 C51 C21 N11 68.75(63) 1_545 1_555 1_555 C51 C21 C61 113.72(46) 1_545 1_555 1_555 C51 C21 H31 109.33(72) 1_545 1_555 1_555 C51 C21 C31 125.25(70) 1_545 1_555 1_555 C51 C21 C11 92.64(56) 1_545 1_555 1_555 C51 C21 H21 50.20(43) 1_545 1_555 1_555 C21 C31 H31 116.97(33) 1_555 1_555 1_555 C41 C31 C21 120.86(29) 1_555 1_555 1_555 C41 C31 H31 122.17(44) 1_555 1_555 1_555 H21 C31 C41 146.50(23) 1_555 1_555 1_555 H21 C31 C21 25.64(27) 1_555 1_555 1_555 H21 C31 H31 91.33(43) 1_555 1_555 1_555 H41 C31 H21 171.56(24) 1_555 1_555 1_555 H41 C31 C41 25.066(89) 1_555 1_555 1_555 H41 C31 C21 145.92(31) 1_555 1_555 1_555 H41 C31 H31 97.11(45) 1_555 1_555 1_555 C51 C31 H41 56.25(11) 1_555 1_555 1_555 C51 C31 H21 115.31(23) 1_555 1_555 1_555 C51 C31 C41 31.18(16) 1_555 1_555 1_555 C51 C31 C21 89.67(33) 1_555 1_555 1_555 C51 C31 H31 153.36(47) 1_555 1_555 1_555 C11 C31 C51 60.367(90) 1_555 1_555 1_555 C11 C31 H41 116.62(16) 1_555 1_555 1_555 C11 C31 H21 54.95(23) 1_555 1_555 1_555 C11 C31 C41 91.55(18) 1_555 1_555 1_555 C11 C31 C21 29.31(35) 1_555 1_555 1_555 C11 C31 H31 146.27(48) 1_555 1_555 1_555 H22 C31 C11 145.20(63) 4_565 1_555 1_555 H22 C31 C51 117.05(49) 4_565 1_555 1_555 H22 C31 H41 71.47(57) 4_565 1_555 1_555 H22 C31 H21 115.20(62) 4_565 1_555 1_555 H22 C31 C41 91.93(54) 4_565 1_555 1_555 H22 C31 C21 133.52(68) 4_565 1_555 1_555 H22 C31 H31 44.43(58) 4_565 1_555 1_555 H111 C31 H22 144.62(83) 4_555 1_555 4_565 H111 C31 C11 66.71(53) 4_555 1_555 1_555 H111 C31 C51 56.73(53) 4_555 1_555 1_555 H111 C31 H41 79.28(77) 4_555 1_555 1_555 H111 C31 H21 96.06(77) 4_555 1_555 1_555 H111 C31 C41 66.71(72) 4_555 1_555 1_555 H111 C31 C21 81.61(71) 4_555 1_555 1_555 H111 C31 H31 123.67(37) 4_555 1_555 1_555 H21 C31 H111 52.88(38) 4_555 1_555 4_555 H21 C31 H22 98.75(56) 4_555 1_555 4_565 H21 C31 C11 116.05(43) 4_555 1_555 1_555 H21 C31 C51 97.32(47) 4_555 1_555 1_555 H21 C31 H41 73.21(47) 4_555 1_555 1_555 H21 C31 H21 109.67(46) 4_555 1_555 1_555 H21 C31 C41 83.40(48) 4_555 1_555 1_555 H21 C31 C21 115.68(43) 4_555 1_555 1_555 H21 C31 H31 72.06(48) 4_555 1_555 1_555 H32 C31 H21 40.25(50) 1_655 1_555 4_555 H32 C31 H111 85.30(61) 1_655 1_555 4_555 H32 C31 H22 60.89(57) 1_655 1_555 4_565 H32 C31 C11 151.77(42) 1_655 1_555 1_555 H32 C31 C51 101.78(46) 1_655 1_555 1_555 H32 C31 H41 50.74(50) 1_655 1_555 1_555 H32 C31 H21 136.39(56) 1_655 1_555 1_555 H32 C31 C41 73.14(50) 1_655 1_555 1_555 H32 C31 C21 153.98(55) 1_655 1_555 1_555 H32 C31 H31 54.21(65) 1_655 1_555 1_555 C61 C31 H32 128.90(46) 1_555 1_555 1_655 C61 C31 H21 109.14(44) 1_555 1_555 4_555 C61 C31 H111 56.91(38) 1_555 1_555 4_555 C61 C31 H22 137.57(51) 1_555 1_555 4_565 C61 C31 C11 30.16(13) 1_555 1_555 1_555 C61 C31 C51 30.21(14) 1_555 1_555 1_555 C61 C31 H41 86.46(23) 1_555 1_555 1_555 C61 C31 H21 85.11(33) 1_555 1_555 1_555 C61 C31 C41 61.39(26) 1_555 1_555 1_555 C61 C31 C21 59.47(45) 1_555 1_555 1_555 C61 C31 H31 176.44(56) 1_555 1_555 1_555 H32 C31 C61 86.24(47) 4_565 1_555 1_555 H32 C31 H32 93.36(53) 4_565 1_555 1_655 H32 C31 H21 130.71(62) 4_565 1_555 4_555 H32 C31 H111 127.63(80) 4_565 1_555 4_555 H32 C31 H22 51.44(38) 4_565 1_555 4_565 H32 C31 C11 100.68(46) 4_565 1_555 1_555 H32 C31 C51 72.60(42) 4_565 1_555 1_555 H32 C31 H41 61.00(42) 4_565 1_555 1_555 H32 C31 H21 118.32(42) 4_565 1_555 1_555 H32 C31 C41 62.98(40) 4_565 1_555 1_555 H32 C31 C21 112.43(44) 4_565 1_555 1_555 H32 C31 H31 95.47(43) 4_565 1_555 1_555 H41 C31 H32 43.24(44) 4_465 1_555 4_565 H41 C31 C61 63.23(37) 4_465 1_555 1_555 H41 C31 H32 136.54(64) 4_465 1_555 1_655 H41 C31 H21 168.26(75) 4_465 1_555 4_555 H41 C31 H111 120.12(38) 4_465 1_555 4_555 H41 C31 H22 83.44(56) 4_465 1_555 4_565 H41 C31 C11 62.41(36) 4_465 1_555 1_555 H41 C31 C51 71.61(42) 4_465 1_555 1_555 H41 C31 H41 96.80(45) 4_465 1_555 1_555 H41 C31 H21 79.37(44) 4_465 1_555 1_555 H41 C31 C41 85.01(45) 4_465 1_555 1_555 H41 C31 C21 69.20(41) 4_465 1_555 1_555 H41 C31 H31 116.14(39) 4_465 1_555 1_555 H42 C31 H41 56.65(32) 4_555 1_555 4_465 H42 C31 H32 66.99(38) 4_555 1_555 4_565 H42 C31 C61 114.86(51) 4_555 1_555 1_555 H42 C31 H32 111.68(51) 4_555 1_555 1_655 H42 C31 H21 133.81(52) 4_555 1_555 4_555 H42 C31 H111 158.23(84) 4_555 1_555 4_555 H42 C31 H22 56.18(63) 4_555 1_555 4_565 H42 C31 C11 96.38(47) 4_555 1_555 1_555 H42 C31 C51 128.02(53) 4_555 1_555 1_555 H42 C31 H41 121.82(44) 4_555 1_555 1_555 H42 C31 H21 62.32(45) 4_555 1_555 1_555 H42 C31 C41 129.95(48) 4_555 1_555 1_555 H42 C31 C21 77.35(50) 4_555 1_555 1_555 H42 C31 H31 63.21(58) 4_555 1_555 1_555 H42 C31 H42 78.64(32) 1_655 1_555 4_555 H42 C31 H41 134.41(35) 1_655 1_555 4_465 H42 C31 H32 114.12(56) 1_655 1_555 4_565 H42 C31 C61 159.29(43) 1_655 1_555 1_555 H42 C31 H32 50.06(31) 1_655 1_555 1_655 H42 C31 H21 55.22(44) 1_655 1_555 4_555 H42 C31 H111 104.60(44) 1_655 1_555 4_555 H42 C31 H22 62.68(53) 1_655 1_555 4_565 H42 C31 C11 138.74(52) 1_655 1_555 1_555 H42 C31 C51 149.93(52) 1_655 1_555 1_555 H42 C31 H41 99.85(55) 1_655 1_555 1_555 H42 C31 H21 88.10(59) 1_655 1_555 1_555 H42 C31 C41 123.19(57) 1_655 1_555 1_555 H42 C31 C21 112.18(62) 1_655 1_555 1_555 H42 C31 H31 19.84(44) 1_655 1_555 1_555 C51 C41 H41 121.18(16) 1_555 1_555 1_555 C31 C41 C51 117.63(31) 1_555 1_555 1_555 C31 C41 H41 121.18(16) 1_555 1_555 1_555 H51 C41 C31 142.29(37) 1_555 1_555 1_555 H51 C41 C51 24.66(19) 1_555 1_555 1_555 H51 C41 H41 96.53(25) 1_555 1_555 1_555 H31 C41 H51 166.95(50) 1_555 1_555 1_555 H31 C41 C31 24.66(19) 1_555 1_555 1_555 H31 C41 C51 142.29(37) 1_555 1_555 1_555 H31 C41 H41 96.53(25) 1_555 1_555 1_555 H111 C41 H31 92.23(62) 4_555 1_555 1_555 H111 C41 H51 81.81(55) 4_555 1_555 1_555 H111 C41 C31 80.92(71) 4_555 1_555 1_555 H111 C41 C51 71.71(43) 4_555 1_555 1_555 H111 C41 H41 117.09(64) 4_555 1_555 1_555 C61 C41 H111 63.80(47) 1_555 1_555 4_555 C61 C41 H31 112.84(44) 1_555 1_555 1_555 C61 C41 H51 54.11(17) 1_555 1_555 1_555 C61 C41 C31 88.18(35) 1_555 1_555 1_555 C61 C41 C51 29.45(16) 1_555 1_555 1_555 C61 C41 H41 150.64(22) 1_555 1_555 1_555 C21 C41 C61 58.72(44) 1_555 1_555 1_555 C21 C41 H111 69.38(74) 1_555 1_555 4_555 C21 C41 H31 54.11(17) 1_555 1_555 1_555 C21 C41 H51 112.84(44) 1_555 1_555 1_555 C21 C41 C31 29.45(16) 1_555 1_555 1_555 C21 C41 C51 88.18(35) 1_555 1_555 1_555 C21 C41 H41 150.64(22) 1_555 1_555 1_555 H32 C41 C21 94.18(47) 4_565 1_555 1_555 H32 C41 C61 101.15(48) 4_565 1_555 1_555 H32 C41 H111 161.66(94) 4_565 1_555 4_555 H32 C41 H31 83.99(49) 4_565 1_555 1_555 H32 C41 H51 98.01(52) 4_565 1_555 1_555 H32 C41 C31 88.51(49) 4_565 1_555 1_555 H32 C41 C51 100.61(51) 4_565 1_555 1_555 H32 C41 H41 81.22(47) 4_565 1_555 1_555 H32 C41 H32 102.24(57) 1_655 1_555 4_565 H32 C41 C21 104.14(64) 1_655 1_555 1_555 H32 C41 C61 151.94(51) 1_655 1_555 1_555 H32 C41 H111 90.05(63) 1_655 1_555 4_555 H32 C41 H31 55.04(63) 1_655 1_555 1_555 H32 C41 H51 136.05(50) 1_655 1_555 1_555 H32 C41 C31 77.18(59) 1_655 1_555 1_555 H32 C41 C51 153.05(45) 1_655 1_555 1_555 H32 C41 H41 49.72(56) 1_655 1_555 1_555 H21 C41 H32 123.99(56) 1_565 1_555 1_655 H21 C41 H32 41.29(56) 1_565 1_555 4_565 H21 C41 C21 116.33(65) 1_565 1_555 1_555 H21 C41 C61 83.99(67) 1_565 1_555 1_555 H21 C41 H111 138.71(64) 1_565 1_555 4_555 H21 C41 H31 125.28(48) 1_565 1_555 1_555 H21 C41 H51 57.77(49) 1_565 1_555 1_555 H21 C41 C31 125.38(52) 1_565 1_555 1_555 H21 C41 C51 67.82(59) 1_565 1_555 1_555 H21 C41 H41 78.79(70) 1_565 1_555 1_555 C11 C41 H21 101.21(70) 1_555 1_555 1_565 C11 C41 H32 130.28(56) 1_555 1_555 1_655 C11 C41 H32 98.78(47) 1_555 1_555 4_565 C11 C41 C21 29.36(22) 1_555 1_555 1_555 C11 C41 C61 29.36(22) 1_555 1_555 1_555 C11 C41 H111 62.91(64) 1_555 1_555 4_555 C11 C41 H31 83.47(25) 1_555 1_555 1_555 C11 C41 H51 83.47(25) 1_555 1_555 1_555 C11 C41 C31 58.82(16) 1_555 1_555 1_555 C11 C41 C51 58.82(16) 1_555 1_555 1_555 C11 C41 H41 180.000000000000(63) 1_555 1_555 1_555 H21 C41 C11 98.93(38) 4_555 1_555 1_555 H21 C41 H21 159.73(83) 4_555 1_555 1_565 H21 C41 H32 38.98(56) 4_555 1_555 1_655 H21 C41 H32 136.77(50) 4_555 1_555 4_565 H21 C41 C21 82.84(33) 4_555 1_555 1_555 H21 C41 C61 113.28(45) 4_555 1_555 1_555 H21 C41 H111 51.74(41) 4_555 1_555 4_555 H21 C41 H31 59.40(36) 4_555 1_555 1_555 H21 C41 H51 122.98(37) 4_555 1_555 1_555 H21 C41 C31 68.09(33) 4_555 1_555 1_555 H21 C41 C51 122.27(41) 4_555 1_555 1_555 H21 C41 H41 81.07(38) 4_555 1_555 1_555 H22 C41 H21 86.14(48) 4_565 1_555 4_555 H22 C41 C11 110.45(57) 4_565 1_555 1_555 H22 C41 H21 88.95(48) 4_565 1_555 1_565 H22 C41 H32 56.70(40) 4_565 1_555 1_655 H22 C41 H32 50.69(39) 4_565 1_555 4_565 H22 C41 C21 85.04(61) 4_565 1_555 1_555 H22 C41 C61 134.08(59) 4_565 1_555 1_555 H22 C41 H111 131.86(68) 4_565 1_555 4_555 H22 C41 H31 41.17(50) 4_565 1_555 1_555 H22 C41 H51 146.32(42) 4_565 1_555 1_555 H22 C41 C31 59.91(53) 4_565 1_555 1_555 H22 C41 C51 149.69(51) 4_565 1_555 1_555 H22 C41 H41 69.55(57) 4_565 1_555 1_555 H41 C41 H22 73.99(49) 4_465 1_555 4_565 H41 C41 H21 136.92(72) 4_465 1_555 4_555 H41 C41 C11 55.97(37) 4_465 1_555 1_555 H41 C41 H21 59.36(51) 4_465 1_555 1_565 H41 C41 H32 129.53(37) 4_465 1_555 1_655 H41 C41 H32 42.84(39) 4_465 1_555 4_565 H41 C41 C21 58.11(46) 4_465 1_555 1_555 H41 C41 C61 63.43(34) 4_465 1_555 1_555 H41 C41 H111 118.88(84) 4_465 1_555 4_555 H41 C41 H31 81.62(46) 4_465 1_555 1_555 H41 C41 H51 91.06(44) 4_465 1_555 1_555 H41 C41 C31 68.87(47) 4_465 1_555 1_555 H41 C41 C51 77.34(37) 4_465 1_555 1_555 H41 C41 H41 124.03(37) 4_465 1_555 1_555 C61 C41 H41 148.03(34) 4_565 1_555 4_465 C61 C41 H22 135.18(54) 4_565 1_555 4_565 C61 C41 H21 68.68(33) 4_565 1_555 4_555 C61 C41 C11 109.69(42) 4_565 1_555 1_555 C61 C41 H21 102.04(51) 4_565 1_555 1_565 C61 C41 H32 82.17(34) 4_565 1_555 1_655 C61 C41 H32 138.36(71) 4_565 1_555 4_565 C61 C41 C21 125.30(47) 4_565 1_555 1_555 C61 C41 C61 90.54(42) 4_565 1_555 1_555 C61 C41 H111 56.18(65) 4_565 1_555 4_555 C61 C41 H31 127.89(41) 4_565 1_555 1_555 C61 C41 H51 57.49(35) 4_565 1_555 1_555 C61 C41 C31 132.09(48) 4_565 1_555 1_555 C61 C41 C51 71.26(33) 4_565 1_555 1_555 C61 C41 H41 70.31(42) 4_565 1_555 1_555 C61 C51 H51 116.97(33) 1_555 1_555 1_555 C41 C51 C61 120.86(29) 1_555 1_555 1_555 C41 C51 H51 122.17(44) 1_555 1_555 1_555 H61 C51 C41 146.50(23) 1_555 1_555 1_555 H61 C51 C61 25.64(27) 1_555 1_555 1_555 H61 C51 H51 91.33(43) 1_555 1_555 1_555 H41 C51 H61 171.56(24) 1_555 1_555 1_555 H41 C51 C41 25.066(89) 1_555 1_555 1_555 H41 C51 C61 145.92(31) 1_555 1_555 1_555 H41 C51 H51 97.11(45) 1_555 1_555 1_555 H111 C51 H41 84.26(59) 4_555 1_555 1_555 H111 C51 H61 92.06(63) 4_555 1_555 1_555 H111 C51 C41 74.18(51) 4_555 1_555 1_555 H111 C51 C61 80.91(72) 4_555 1_555 1_555 H111 C51 H51 116.03(67) 4_555 1_555 1_555 C31 C51 H111 65.62(54) 1_555 1_555 4_555 C31 C51 H41 56.25(11) 1_555 1_555 1_555 C31 C51 H61 115.31(23) 1_555 1_555 1_555 C31 C51 C41 31.18(16) 1_555 1_555 1_555 C31 C51 C61 89.67(33) 1_555 1_555 1_555 C31 C51 H51 153.36(47) 1_555 1_555 1_555 C11 C51 C31 60.367(90) 1_555 1_555 1_555 C11 C51 H111 70.16(76) 1_555 1_555 4_555 C11 C51 H41 116.62(16) 1_555 1_555 1_555 C11 C51 H61 54.95(23) 1_555 1_555 1_555 C11 C51 C41 91.55(18) 1_555 1_555 1_555 C11 C51 C61 29.31(35) 1_555 1_555 1_555 C11 C51 H51 146.27(48) 1_555 1_555 1_555 H21 C51 C11 119.39(62) 1_565 1_555 1_555 H21 C51 C31 97.33(51) 1_565 1_555 1_555 H21 C51 H111 154.4(12) 1_565 1_555 4_555 H21 C51 H41 70.23(79) 1_565 1_555 1_555 H21 C51 H61 112.97(80) 1_565 1_555 1_555 H21 C51 C41 81.63(67) 1_565 1_555 1_555 H21 C51 C61 119.52(80) 1_565 1_555 1_555 H21 C51 H51 70.45(43) 1_565 1_555 1_555 H62 C51 H21 143.02(60) 3_665 1_555 1_565 H62 C51 C11 83.06(62) 3_665 1_555 1_555 H62 C51 C31 119.64(65) 3_665 1_555 1_555 H62 C51 H111 57.05(68) 3_665 1_555 4_555 H62 C51 H41 128.62(58) 3_665 1_555 1_555 H62 C51 H61 53.75(57) 3_665 1_555 1_555 H62 C51 C41 129.84(61) 3_665 1_555 1_555 H62 C51 C61 65.33(61) 3_665 1_555 1_555 H62 C51 H51 75.31(70) 3_665 1_555 1_555 C21 C51 H62 102.47(66) 1_555 1_555 3_665 C21 C51 H21 110.97(48) 1_555 1_555 1_565 C21 C51 C11 30.16(13) 1_555 1_555 1_555 C21 C51 C31 30.21(14) 1_555 1_555 1_555 C21 C51 H111 64.21(68) 1_555 1_555 4_555 C21 C51 H41 86.46(23) 1_555 1_555 1_555 C21 C51 H61 85.11(33) 1_555 1_555 1_555 C21 C51 C41 61.39(26) 1_555 1_555 1_555 C21 C51 C61 59.47(45) 1_555 1_555 1_555 C21 C51 H51 176.44(56) 1_555 1_555 1_555 H111 C51 C21 109.80(41) 1_565 1_555 1_555 H111 C51 H62 101.68(66) 1_565 1_555 3_665 H111 C51 H21 52.67(55) 1_565 1_555 1_565 H111 C51 C11 91.74(43) 1_565 1_555 1_555 H111 C51 C31 123.75(45) 1_565 1_555 1_555 H111 C51 H111 152.6(10) 1_565 1_555 4_555 H111 C51 H41 122.84(52) 1_565 1_555 1_555 H111 C51 H61 60.55(53) 1_565 1_555 1_555 H111 C51 C41 128.38(52) 1_565 1_555 1_555 H111 C51 C61 73.87(52) 1_565 1_555 1_555 H111 C51 H51 68.25(50) 1_565 1_555 1_555 H61 C51 H111 123.62(48) 4_565 1_555 1_565 H61 C51 C21 118.83(65) 4_565 1_555 1_555 H61 C51 H62 43.12(54) 4_565 1_555 3_665 H61 C51 H21 123.85(94) 4_565 1_555 1_565 H61 C51 C11 116.67(65) 4_565 1_555 1_555 H61 C51 C31 112.62(50) 4_565 1_555 1_555 H61 C51 H111 54.62(62) 4_565 1_555 4_555 H61 C51 H41 88.07(37) 4_565 1_555 1_555 H61 C51 H61 96.00(43) 4_565 1_555 1_555 H61 C51 C41 100.08(36) 4_565 1_555 1_555 H61 C51 C61 107.44(58) 4_565 1_555 1_555 H61 C51 H51 61.49(63) 4_565 1_555 1_555 H112 C51 H61 48.12(46) 4_565 1_555 4_565 H112 C51 H111 79.47(27) 4_565 1_555 1_565 H112 C51 C21 165.81(65) 4_565 1_555 1_555 H112 C51 H62 64.42(67) 4_565 1_555 3_665 H112 C51 H21 83.16(65) 4_565 1_555 1_565 H112 C51 C11 143.32(83) 4_565 1_555 1_555 H112 C51 C31 150.95(65) 4_565 1_555 1_555 H112 C51 H111 102.52(80) 4_565 1_555 4_555 H112 C51 H41 97.58(78) 4_565 1_555 1_555 H112 C51 H61 90.62(82) 4_565 1_555 1_555 H112 C51 C41 121.84(77) 4_565 1_555 1_555 H112 C51 C61 115.49(87) 4_565 1_555 1_555 H112 C51 H51 13.57(56) 4_565 1_555 1_555 C61 C51 H112 51.60(45) 4_565 1_555 4_565 C61 C51 H61 20.305(88) 4_565 1_555 4_565 C61 C51 H111 130.96(50) 4_565 1_555 1_565 C61 C51 C21 118.86(52) 4_565 1_555 1_555 C61 C51 H62 63.30(51) 4_565 1_555 3_665 C61 C51 H21 110.58(92) 4_565 1_555 1_565 C61 C51 C11 128.29(54) 4_565 1_555 1_555 C61 C51 C31 102.39(41) 4_565 1_555 1_555 C61 C51 H111 58.84(68) 4_565 1_555 4_555 C61 C51 H41 68.15(39) 4_565 1_555 1_555 C61 C51 H61 116.26(44) 4_565 1_555 1_555 C61 C51 C41 82.96(38) 4_565 1_555 1_555 C61 C51 C61 126.31(52) 4_565 1_555 1_555 C61 C51 H51 62.83(50) 4_565 1_555 1_555 C21 C51 C61 97.04(78) 1_565 1_555 4_565 C21 C51 H112 64.40(62) 1_565 1_555 4_565 C21 C51 H61 106.99(83) 1_565 1_555 4_565 C21 C51 H111 52.02(36) 1_565 1_555 1_565 C21 C51 C21 129.73(45) 1_565 1_555 1_555 C21 C51 H62 125.72(59) 1_565 1_555 3_665 C21 C51 H21 18.763(90) 1_565 1_555 1_565 C21 C51 C11 134.63(58) 1_565 1_555 1_555 C21 C51 C31 113.72(46) 1_565 1_555 1_555 C21 C51 H111 153.2(13) 1_565 1_555 4_555 C21 C51 H41 75.03(62) 1_565 1_555 1_555 C21 C51 H61 110.60(65) 1_565 1_555 1_555 C21 C51 C41 92.53(55) 1_565 1_555 1_555 C21 C51 C61 125.57(68) 1_565 1_555 1_555 C21 C51 H51 51.73(42) 1_565 1_555 1_555 C11 C51 C21 71.13(58) 4_565 1_555 1_565 C11 C51 C61 25.92(26) 4_565 1_555 4_565 C11 C51 H112 39.07(39) 4_565 1_555 4_565 C11 C51 H61 40.32(30) 4_565 1_555 4_565 C11 C51 H111 111.06(37) 4_565 1_555 1_565 C11 C51 C21 137.42(45) 4_565 1_555 1_555 C11 C51 H62 80.56(50) 4_565 1_555 3_665 C11 C51 H21 85.18(72) 4_565 1_555 1_565 C11 C51 C11 154.14(44) 4_565 1_555 1_555 C11 C51 C31 111.88(44) 4_565 1_555 1_555 C11 C51 H111 84.13(80) 4_565 1_555 4_555 C11 C51 H41 61.48(46) 4_565 1_555 1_555 C11 C51 H61 125.79(51) 4_565 1_555 1_555 C11 C51 C41 83.83(47) 4_565 1_555 1_555 C11 C51 C61 145.63(52) 4_565 1_555 1_555 C11 C51 H51 45.39(57) 4_565 1_555 1_555 N11 C51 C11 93.55(40) 1_565 1_555 4_565 N11 C51 C21 45.43(30) 1_565 1_555 1_565 N11 C51 C61 112.47(56) 1_565 1_555 4_565 N11 C51 H112 61.03(24) 1_565 1_555 4_565 N11 C51 H61 106.49(58) 1_565 1_555 4_565 N11 C51 H111 18.49(16) 1_565 1_555 1_565 N11 C51 C21 128.11(49) 1_565 1_555 1_555 N11 C51 H62 93.42(59) 1_565 1_555 3_665 N11 C51 H21 53.50(48) 1_565 1_555 1_565 N11 C51 C11 107.32(50) 1_565 1_555 1_555 N11 C51 C31 140.33(44) 1_565 1_555 1_555 N11 C51 H111 150.39(72) 1_565 1_555 4_555 N11 C51 H41 120.46(46) 1_565 1_555 1_555 N11 C51 H61 65.46(50) 1_565 1_555 1_555 N11 C51 C41 135.06(42) 1_565 1_555 1_555 N11 C51 C61 84.78(56) 1_565 1_555 1_555 N11 C51 H51 49.82(56) 1_565 1_555 1_555 H41 C51 N11 78.62(41) 4_465 1_555 1_565 H41 C51 C11 142.79(54) 4_465 1_555 4_565 H41 C51 C21 78.03(45) 4_465 1_555 1_565 H41 C51 C61 159.20(17) 4_465 1_555 4_565 H41 C51 H112 137.40(70) 4_465 1_555 4_565 H41 C51 H61 174.47(94) 4_465 1_555 4_565 H41 C51 H111 61.19(46) 4_465 1_555 1_565 H41 C51 C21 55.66(47) 4_465 1_555 1_555 H41 C51 H62 135.69(56) 4_465 1_555 3_665 H41 C51 H21 60.78(50) 4_465 1_555 1_565 H41 C51 C11 59.01(42) 4_465 1_555 1_555 H41 C51 C31 62.59(42) 4_465 1_555 1_555 H41 C51 H111 119.9(10) 4_465 1_555 4_555 H41 C51 H41 91.10(30) 4_465 1_555 1_555 H41 C51 H61 84.15(32) 4_465 1_555 1_555 H41 C51 C41 77.14(34) 4_465 1_555 1_555 H41 C51 C61 70.54(36) 4_465 1_555 1_555 H41 C51 H51 124.03(47) 4_465 1_555 1_555 H32 C51 H41 40.00(36) 4_565 1_555 4_465 H32 C51 N11 83.84(48) 4_565 1_555 1_565 H32 C51 C11 103.40(57) 4_565 1_555 4_565 H32 C51 C21 54.32(48) 4_565 1_555 1_565 H32 C51 C61 121.31(57) 4_565 1_555 4_565 H32 C51 H112 117.09(87) 4_565 1_555 4_565 H32 C51 H61 141.42(63) 4_565 1_555 4_565 H32 C51 H111 74.60(57) 4_565 1_555 1_565 H32 C51 C21 76.43(41) 4_565 1_555 1_555 H32 C51 H62 175.28(72) 4_565 1_555 3_665 H32 C51 H21 36.29(55) 4_565 1_555 1_565 H32 C51 C11 94.07(40) 4_565 1_555 1_555 H32 C51 C31 61.51(42) 4_565 1_555 1_555 H32 C51 H111 125.47(63) 4_565 1_555 4_555 H32 C51 H41 56.05(42) 4_565 1_555 1_555 H32 C51 H61 121.54(41) 4_565 1_555 1_555 H32 C51 C41 53.78(44) 4_565 1_555 1_555 H32 C51 C61 110.50(42) 4_565 1_555 1_555 H32 C51 H51 105.55(54) 4_565 1_555 1_555 C11 C61 H61 118.57(34) 1_555 1_555 1_555 C51 C61 C11 121.36(52) 1_555 1_555 1_555 C51 C61 H61 120.07(62) 1_555 1_555 1_555 H51 C61 C51 26.92(15) 1_555 1_555 1_555 H51 C61 C11 148.27(55) 1_555 1_555 1_555 H51 C61 H61 93.15(65) 1_555 1_555 1_555 C21 C61 H51 117.25(37) 1_555 1_555 1_555 C21 C61 C51 90.33(33) 1_555 1_555 1_555 C21 C61 C11 31.03(26) 1_555 1_555 1_555 C21 C61 H61 149.60(43) 1_555 1_555 1_555 N11 C61 C21 60.54(20) 1_555 1_555 1_555 N11 C61 H51 174.76(28) 1_555 1_555 1_555 N11 C61 C51 150.41(51) 1_555 1_555 1_555 N11 C61 C11 29.74(15) 1_555 1_555 1_555 N11 C61 H61 89.18(37) 1_555 1_555 1_555 C41 C61 N11 120.95(40) 1_555 1_555 1_555 C41 C61 C21 60.64(22) 1_555 1_555 1_555 C41 C61 H51 56.61(23) 1_555 1_555 1_555 C41 C61 C51 29.69(16) 1_555 1_555 1_555 C41 C61 C11 91.67(41) 1_555 1_555 1_555 C41 C61 H61 149.76(53) 1_555 1_555 1_555 H62 C61 C41 100.67(59) 3_665 1_555 1_555 H62 C61 N11 106.33(70) 3_665 1_555 1_555 H62 C61 C21 123.01(70) 3_665 1_555 1_555 H62 C61 H51 70.55(68) 3_665 1_555 1_555 H62 C61 C51 84.42(62) 3_665 1_555 1_555 H62 C61 C11 121.02(72) 3_665 1_555 1_555 H62 C61 H61 65.02(68) 3_665 1_555 1_555 H111 C61 H62 58.32(63) 4_555 1_555 3_665 H111 C61 C41 57.63(61) 4_555 1_555 1_555 H111 C61 N11 95.25(79) 4_555 1_555 1_555 H111 C61 C21 67.64(60) 4_555 1_555 1_555 H111 C61 H51 79.54(78) 4_555 1_555 1_555 H111 C61 C51 66.55(75) 4_555 1_555 1_555 H111 C61 C11 83.12(76) 4_555 1_555 1_555 H111 C61 H61 122.05(52) 4_555 1_555 1_555 H112 C61 H111 113.93(81) 1_555 1_555 4_555 H112 C61 H62 104.01(74) 1_555 1_555 3_665 H112 C61 C41 141.78(45) 1_555 1_555 1_555 H112 C61 N11 22.94(11) 1_555 1_555 1_555 H112 C61 C21 81.41(25) 1_555 1_555 1_555 H112 C61 H51 160.81(55) 1_555 1_555 1_555 H112 C61 C51 170.49(53) 1_555 1_555 1_555 H112 C61 C11 50.52(23) 1_555 1_555 1_555 H112 C61 H61 68.29(42) 1_555 1_555 1_555 H122 C61 H112 51.12(67) 3_665 1_555 1_555 H122 C61 H111 72.2(11) 3_665 1_555 4_555 H122 C61 H62 57.11(59) 3_665 1_555 3_665 H122 C61 C41 128.52(88) 3_665 1_555 1_555 H122 C61 N11 49.28(56) 3_665 1_555 1_555 H122 C61 C21 91.49(77) 3_665 1_555 1_555 H122 C61 H51 127.62(61) 3_665 1_555 1_555 H122 C61 C51 134.41(69) 3_665 1_555 1_555 H122 C61 C11 70.22(65) 3_665 1_555 1_555 H122 C61 H61 67.87(89) 3_665 1_555 1_555 H111 C61 H122 135.13(77) 1_565 1_555 3_665 H111 C61 H112 103.97(76) 1_565 1_555 1_555 H111 C61 H111 141.9(14) 1_565 1_555 4_555 H111 C61 H62 109.35(76) 1_565 1_555 3_665 H111 C61 C41 94.67(68) 1_565 1_555 1_555 H111 C61 N11 122.57(72) 1_565 1_555 1_555 H111 C61 C21 124.47(51) 1_565 1_555 1_555 H111 C61 H51 62.67(71) 1_565 1_555 1_555 H111 C61 C51 76.81(74) 1_565 1_555 1_555 H111 C61 C11 126.94(56) 1_565 1_555 1_555 H111 C61 H61 68.01(67) 1_565 1_555 1_555 H51 C61 H111 66.61(61) 4_465 1_555 1_565 H51 C61 H122 94.41(71) 4_465 1_555 3_665 H51 C61 H112 43.83(77) 4_465 1_555 1_555 H51 C61 H111 148.7(16) 4_465 1_555 4_555 H51 C61 H62 137.16(66) 4_465 1_555 3_665 H51 C61 C41 122.00(50) 4_465 1_555 1_555 H51 C61 N11 56.58(90) 4_465 1_555 1_555 H51 C61 C21 85.01(87) 4_465 1_555 1_555 H51 C61 H51 128.59(91) 4_465 1_555 1_555 H51 C61 C51 131.10(59) 4_465 1_555 1_555 H51 C61 C11 65.60(96) 4_465 1_555 1_555 H51 C61 H61 75.08(69) 4_465 1_555 1_555 C31 C61 H51 104.79(71) 1_555 1_555 4_465 C31 C61 H111 112.09(59) 1_555 1_555 1_565 C31 C61 H122 112.01(88) 1_555 1_555 3_665 C31 C61 H112 111.52(37) 1_555 1_555 1_555 C31 C61 H111 57.99(49) 1_555 1_555 4_555 C31 C61 H62 115.06(63) 1_555 1_555 3_665 C31 C61 C41 30.43(11) 1_555 1_555 1_555 C31 C61 N11 90.63(31) 1_555 1_555 1_555 C31 C61 C21 30.21(14) 1_555 1_555 1_555 C31 C61 H51 87.04(30) 1_555 1_555 1_555 C31 C61 C51 60.12(25) 1_555 1_555 1_555 C31 C61 C11 61.23(33) 1_555 1_555 1_555 C31 C61 H61 179.81(48) 1_555 1_555 1_555 H41 C61 C31 61.69(36) 4_465 1_555 1_555 H41 C61 H51 51.85(29) 4_465 1_555 4_465 H41 C61 H111 63.82(57) 4_465 1_555 1_565 H41 C61 H122 135.39(74) 4_465 1_555 3_665 H41 C61 H112 88.23(49) 4_465 1_555 1_555 H41 C61 H111 119.67(51) 4_465 1_555 4_555 H41 C61 H62 167.39(81) 4_465 1_555 3_665 H41 C61 C41 70.39(26) 4_465 1_555 1_555 H41 C61 N11 86.12(49) 4_465 1_555 1_555 H41 C61 C21 61.15(50) 4_465 1_555 1_555 H41 C61 H51 96.89(42) 4_465 1_555 1_555 H41 C61 C51 83.63(33) 4_465 1_555 1_555 H41 C61 C11 69.21(53) 4_465 1_555 1_555 H41 C61 H61 118.28(35) 4_465 1_555 1_555 C51 C61 H41 41.70(18) 4_465 1_555 4_465 C51 C61 C31 102.48(45) 4_465 1_555 1_555 C51 C61 H51 20.35(11) 4_465 1_555 4_465 C51 C61 H111 48.07(55) 4_465 1_555 1_565 C51 C61 H122 113.43(70) 4_465 1_555 3_665 C51 C61 H112 63.85(73) 4_465 1_555 1_555 C51 C61 H111 159.15(87) 4_465 1_555 4_555 C51 C61 H62 142.19(77) 4_465 1_555 3_665 C51 C61 C41 110.03(37) 4_465 1_555 1_555 C51 C61 N11 76.47(79) 4_465 1_555 1_555 C51 C61 C21 91.81(66) 4_465 1_555 1_555 C51 C61 H51 108.61(78) 4_465 1_555 1_555 C51 C61 C51 112.03(59) 4_465 1_555 1_555 C51 C61 C11 80.42(79) 4_465 1_555 1_555 C51 C61 H61 77.46(44) 4_465 1_555 1_555 H62 C61 C51 53.52(38) 2_555 1_555 4_465 H62 C61 H41 93.82(45) 2_555 1_555 4_465 H62 C61 C31 155.50(57) 2_555 1_555 1_555 H62 C61 H51 54.94(51) 2_555 1_555 4_465 H62 C61 H111 50.13(53) 2_555 1_555 1_565 H62 C61 H122 85.35(98) 2_555 1_555 3_665 H62 C61 H112 65.20(80) 2_555 1_555 1_555 H62 C61 H111 146.47(56) 2_555 1_555 4_555 H62 C61 H62 88.68(68) 2_555 1_555 3_665 H62 C61 C41 144.40(79) 2_555 1_555 1_555 H62 C61 N11 88.14(81) 2_555 1_555 1_555 H62 C61 C21 139.30(73) 2_555 1_555 1_555 H62 C61 H51 95.92(94) 2_555 1_555 1_555 H62 C61 C51 120.14(91) 2_555 1_555 1_555 H62 C61 C11 112.86(81) 2_555 1_555 1_555 H62 C61 H61 24.47(56) 2_555 1_555 1_555 H112 C61 H62 122.69(56) 4_555 1_555 2_555 H112 C61 C51 144.6(13) 4_555 1_555 4_465 H112 C61 H41 132.77(89) 4_555 1_555 4_465 H112 C61 C31 79.06(43) 4_555 1_555 1_555 H112 C61 H51 124.5(13) 4_555 1_555 4_465 H112 C61 H111 163.00(80) 4_555 1_555 1_565 H112 C61 H122 39.35(87) 4_555 1_555 3_665 H112 C61 H112 82.47(46) 4_555 1_555 1_555 H112 C61 H111 33.47(42) 4_555 1_555 4_555 H112 C61 H62 53.64(65) 4_555 1_555 3_665 H112 C61 C41 89.30(34) 4_555 1_555 1_555 H112 C61 N11 68.14(52) 4_555 1_555 1_555 H112 C61 C21 71.68(57) 4_555 1_555 1_555 H112 C61 H51 106.78(53) 4_555 1_555 1_555 H112 C61 C51 99.47(41) 4_555 1_555 1_555 H112 C61 C11 69.31(63) 4_555 1_555 1_555 H112 C61 H61 100.88(41) 4_555 1_555 1_555 H52 C61 H112 77.30(53) 2_555 1_555 4_555 H52 C61 H62 45.46(39) 2_555 1_555 2_555 H52 C61 C51 91.53(43) 2_555 1_555 4_465 H52 C61 H41 132.52(48) 2_555 1_555 4_465 H52 C61 C31 154.57(71) 2_555 1_555 1_555 H52 C61 H51 81.35(48) 2_555 1_555 4_465 H52 C61 H111 93.09(56) 2_555 1_555 1_565 H52 C61 H122 42.56(80) 2_555 1_555 3_665 H52 C61 H112 56.08(64) 2_555 1_555 1_555 H52 C61 H111 104.20(70) 2_555 1_555 4_555 H52 C61 H62 55.90(42) 2_555 1_555 3_665 H52 C61 C41 156.55(57) 2_555 1_555 1_555 H52 C61 N11 71.94(62) 2_555 1_555 1_555 H52 C61 C21 129.99(66) 2_555 1_555 1_555 H52 C61 H51 108.67(75) 2_555 1_555 1_555 H52 C61 C51 133.43(70) 2_555 1_555 1_555 H52 C61 C11 101.21(66) 2_555 1_555 1_555 H52 C61 H61 25.31(72) 2_555 1_555 1_555 C41 C61 H52 116.75(47) 4_465 1_555 2_555 C41 C61 H112 150.0(10) 4_465 1_555 4_555 C41 C61 H62 74.87(39) 4_465 1_555 2_555 C41 C61 C51 25.78(12) 4_465 1_555 4_465 C41 C61 H41 19.52(10) 4_465 1_555 4_465 C41 C61 C31 80.67(36) 4_465 1_555 1_555 C41 C61 H51 41.97(20) 4_465 1_555 4_465 C41 C61 H111 47.05(54) 4_465 1_555 1_565 C41 C61 H122 135.73(67) 4_465 1_555 3_665 C41 C61 H112 84.62(57) 4_465 1_555 1_555 C41 C61 H111 138.27(43) 4_465 1_555 4_555 C41 C61 H62 156.4(10) 4_465 1_555 3_665 C41 C61 C41 84.27(29) 4_465 1_555 1_555 C41 C61 N11 90.22(58) 4_465 1_555 1_555 C41 C61 C21 79.64(52) 4_465 1_555 1_555 C41 C61 H51 94.03(53) 4_465 1_555 1_555 C41 C61 C51 89.29(40) 4_465 1_555 1_555 C41 C61 C11 81.54(60) 4_465 1_555 1_555 C41 C61 H61 99.31(35) 4_465 1_555 1_555 H112 H111 N11 33.81(41) 1_555 1_555 1_555 C11 H111 H112 65.45(17) 1_555 1_555 1_555 C11 H111 N11 37.55(22) 1_555 1_555 1_555 H21 H111 C11 56.66(27) 1_555 1_555 1_555 H21 H111 H112 121.47(25) 1_555 1_555 1_555 H21 H111 N11 93.07(43) 1_555 1_555 1_555 C51 H111 H21 108.70(95) 4_455 1_555 1_555 C51 H111 C11 158.25(90) 4_455 1_555 1_555 C51 H111 H112 123.2(13) 4_455 1_555 1_555 C51 H111 N11 156.8(13) 4_455 1_555 1_555 C41 H111 C51 34.11(34) 4_455 1_555 4_455 C41 H111 H21 75.35(69) 4_455 1_555 1_555 C41 H111 C11 126.28(67) 4_455 1_555 1_555 C41 H111 H112 143.9(12) 4_455 1_555 1_555 C41 H111 N11 160.8(10) 4_455 1_555 1_555 H62 H111 C41 102.58(76) 2_545 1_555 4_455 H62 H111 C51 69.17(58) 2_545 1_555 4_455 H62 H111 H21 156.5(14) 2_545 1_555 1_555 H62 H111 C11 131.09(92) 2_545 1_555 1_555 H62 H111 H112 74.1(11) 2_545 1_555 1_555 H62 H111 N11 94.1(10) 2_545 1_555 1_555 H61 H111 H62 50.37(72) 1_545 1_555 2_545 H61 H111 C41 91.36(76) 1_545 1_555 4_455 H61 H111 C51 75.54(63) 1_545 1_555 4_455 H61 H111 H21 106.14(94) 1_545 1_555 1_555 H61 H111 C11 122.12(95) 1_545 1_555 1_555 H61 H111 H112 111.00(66) 1_545 1_555 1_555 H61 H111 N11 106.77(89) 1_545 1_555 1_555 C61 H111 H61 92.44(63) 4_455 1_555 1_545 C61 H111 H62 59.94(59) 4_455 1_555 2_545 C61 H111 C41 58.57(43) 4_455 1_555 4_455 C61 H111 C51 32.54(23) 4_455 1_555 4_455 C61 H111 H21 130.66(73) 4_455 1_555 1_555 C61 H111 C11 142.9(15) 4_455 1_555 1_555 C61 H111 H112 91.3(13) 4_455 1_555 1_555 C61 H111 N11 125.1(14) 4_455 1_555 1_555 H51 H111 C61 146.2(12) 1_545 1_555 4_455 H51 H111 H61 56.43(70) 1_545 1_555 1_545 H51 H111 H62 100.9(11) 1_545 1_555 2_545 H51 H111 C41 105.1(11) 1_545 1_555 4_455 H51 H111 C51 117.4(13) 1_545 1_555 4_455 H51 H111 H21 58.40(62) 1_545 1_555 1_555 H51 H111 C11 70.89(44) 1_545 1_555 1_555 H51 H111 H112 110.90(59) 1_545 1_555 1_555 H51 H111 N11 80.68(68) 1_545 1_555 1_555 C31 H111 H51 118.59(94) 4_455 1_555 1_545 C31 H111 C61 65.11(48) 4_455 1_555 4_455 C31 H111 H61 123.61(80) 4_455 1_555 1_545 C31 H111 H62 123.56(77) 4_455 1_555 2_545 C31 H111 C41 32.37(28) 4_455 1_555 4_455 C31 H111 C51 57.66(48) 4_455 1_555 4_455 C31 H111 H21 66.57(43) 4_455 1_555 1_555 C31 H111 C11 100.59(70) 4_455 1_555 1_555 C31 H111 H112 120.0(11) 4_455 1_555 1_555 C31 H111 N11 128.8(11) 4_455 1_555 1_555 C21 H111 C31 80.77(46) 1_555 1_555 4_455 C21 H111 H51 59.98(53) 1_555 1_555 1_545 C21 H111 C61 144.39(84) 1_555 1_555 4_455 C21 H111 H61 115.90(99) 1_555 1_555 1_545 C21 H111 H62 155.46(98) 1_555 1_555 2_545 C21 H111 C41 97.59(65) 1_555 1_555 4_455 C21 H111 C51 131.67(86) 1_555 1_555 4_455 C21 H111 H21 24.36(12) 1_555 1_555 1_555 C21 H111 C11 32.30(23) 1_555 1_555 1_555 C21 H111 H112 97.43(24) 1_555 1_555 1_555 C21 H111 N11 69.03(37) 1_555 1_555 1_555 C61 H111 C21 99.82(81) 1_545 1_555 1_555 C61 H111 C31 106.76(84) 1_545 1_555 4_455 C61 H111 H51 46.67(54) 1_545 1_555 1_545 C61 H111 C61 99.51(80) 1_545 1_555 4_455 C61 H111 H61 23.05(22) 1_545 1_555 1_545 C61 H111 H62 71.79(84) 1_545 1_555 2_545 C61 H111 C41 76.78(79) 1_545 1_555 4_455 C61 H111 C51 73.09(78) 1_545 1_555 4_455 C61 H111 H21 85.11(75) 1_545 1_555 1_555 C61 H111 C11 117.54(89) 1_545 1_555 1_555 C61 H111 H112 132.11(71) 1_545 1_555 1_555 C61 H111 N11 118.1(10) 1_545 1_555 1_555 C21 H111 C61 132.20(79) 4_455 1_555 1_545 C21 H111 C21 92.03(65) 4_455 1_555 1_555 C21 H111 C31 30.02(25) 4_455 1_555 4_455 C21 H111 H51 145.52(79) 4_455 1_555 1_545 C21 H111 C61 53.20(54) 4_455 1_555 4_455 C21 H111 H61 140.37(64) 4_455 1_555 1_545 C21 H111 H62 110.83(80) 4_455 1_555 2_545 C21 H111 C41 55.73(42) 4_455 1_555 4_455 C21 H111 C51 64.84(49) 4_455 1_555 4_455 C21 H111 H21 87.66(52) 4_455 1_555 1_555 C21 H111 C11 96.69(96) 4_455 1_555 1_555 C21 H111 H112 91.08(99) 4_455 1_555 1_555 C21 H111 N11 109.4(12) 4_455 1_555 1_555 C11 H111 C21 29.23(30) 4_455 1_555 4_455 C11 H111 C61 128.19(73) 4_455 1_555 1_545 C11 H111 C21 119.25(91) 4_455 1_555 1_555 C11 H111 C31 53.87(40) 4_455 1_555 4_455 C11 H111 H51 171.2(11) 4_455 1_555 1_545 C11 H111 C61 30.02(31) 4_455 1_555 4_455 C11 H111 H61 122.24(57) 4_455 1_555 1_545 C11 H111 H62 82.11(65) 4_455 1_555 2_545 C11 H111 C41 66.17(44) 4_455 1_555 4_455 C11 H111 C51 55.80(38) 4_455 1_555 4_455 C11 H111 H21 116.82(65) 4_455 1_555 1_555 C11 H111 C11 113.4(13) 4_455 1_555 1_555 C11 H111 H112 77.8(11) 4_455 1_555 1_555 C11 H111 N11 107.4(13) 4_455 1_555 1_555 C51 H111 C11 149.15(94) 1_545 1_555 4_455 C51 H111 C21 134.19(79) 1_545 1_555 4_455 C51 H111 C61 29.32(32) 1_545 1_555 1_545 C51 H111 C21 70.66(55) 1_545 1_555 1_555 C51 H111 C31 104.19(82) 1_545 1_555 4_455 C51 H111 H51 22.72(30) 1_545 1_555 1_545 C51 H111 C61 125.8(11) 1_545 1_555 4_455 C51 H111 H61 47.33(54) 1_545 1_555 1_545 C51 H111 H62 97.5(10) 1_545 1_555 2_545 C51 H111 C41 84.04(89) 1_545 1_555 4_455 C51 H111 C51 95.0(10) 1_545 1_555 4_455 C51 H111 H21 59.03(56) 1_545 1_555 1_555 C51 H111 C11 90.14(60) 1_545 1_555 1_555 C51 H111 H112 132.01(70) 1_545 1_555 1_555 C51 H111 N11 103.35(84) 1_545 1_555 1_555 H51 H111 C51 147.47(56) 4_465 1_555 1_545 H51 H111 C11 57.4(11) 4_465 1_555 4_455 H51 H111 C21 54.30(84) 4_465 1_555 4_455 H51 H111 C61 173.46(75) 4_465 1_555 1_545 H51 H111 C21 78.18(40) 4_465 1_555 1_555 H51 H111 C31 79.18(87) 4_465 1_555 4_455 H51 H111 H51 128.26(40) 4_465 1_555 1_545 H51 H111 C61 85.4(13) 4_465 1_555 4_455 H51 H111 H61 153.54(88) 4_465 1_555 1_545 H51 H111 H62 107.5(14) 4_465 1_555 2_545 H51 H111 C41 109.6(11) 4_465 1_555 4_455 H51 H111 C51 112.9(13) 4_465 1_555 4_455 H51 H111 H21 94.98(51) 4_465 1_555 1_555 H51 H111 C11 57.77(37) 4_465 1_555 1_555 H51 H111 H112 42.87(59) 4_465 1_555 1_555 H51 H111 N11 55.34(62) 4_465 1_555 1_555 H122 H111 H51 85.7(10) 3_665 1_555 4_465 H122 H111 C51 80.93(93) 3_665 1_555 1_545 H122 H111 C11 127.8(14) 3_665 1_555 4_455 H122 H111 C21 139.8(15) 3_665 1_555 4_455 H122 H111 C61 87.9(10) 3_665 1_555 1_545 H122 H111 C21 81.63(62) 3_665 1_555 1_555 H122 H111 C31 158.8(11) 3_665 1_555 4_455 H122 H111 H51 60.88(77) 3_665 1_555 1_545 H122 H111 C61 128.7(10) 3_665 1_555 4_455 H122 H111 H61 75.16(96) 3_665 1_555 1_545 H122 H111 H62 75.2(10) 3_665 1_555 2_545 H122 H111 C41 164.3(16) 3_665 1_555 4_455 H122 H111 C51 143.25(97) 3_665 1_555 4_455 H122 H111 H21 100.40(67) 3_665 1_555 1_555 H122 H111 C11 58.45(66) 3_665 1_555 1_555 H122 H111 H112 51.11(91) 3_665 1_555 1_555 H122 H111 N11 31.64(93) 3_665 1_555 1_555 H51 H111 H122 126.98(99) 4_455 1_555 3_665 H51 H111 H51 128.7(12) 4_455 1_555 4_465 H51 H111 C51 82.25(86) 4_455 1_555 1_545 H51 H111 C11 71.42(43) 4_455 1_555 4_455 H51 H111 C21 83.47(52) 4_455 1_555 4_455 H51 H111 C61 56.77(55) 4_455 1_555 1_545 H51 H111 C21 137.1(11) 4_455 1_555 1_555 H51 H111 C31 74.26(58) 4_455 1_555 4_455 H51 H111 H51 103.0(11) 4_455 1_555 1_545 H51 H111 C61 43.61(37) 4_455 1_555 4_455 H51 H111 H61 56.90(43) 4_455 1_555 1_545 H51 H111 H62 57.85(57) 4_455 1_555 2_545 H51 H111 C41 45.68(46) 4_455 1_555 4_455 H51 H111 C51 18.67(26) 4_455 1_555 4_455 H51 H111 H21 112.7(11) 4_455 1_555 1_555 H51 H111 C11 169.3(11) 4_455 1_555 1_555 H51 H111 H112 125.2(11) 4_455 1_555 1_555 H51 H111 N11 151.95(91) 4_455 1_555 1_555 H41 H111 H51 49.37(48) 4_455 1_555 4_455 H41 H111 H122 146.9(14) 4_455 1_555 3_665 H41 H111 H51 123.29(93) 4_455 1_555 4_465 H41 H111 C51 66.03(64) 4_455 1_555 1_545 H41 H111 C11 84.39(53) 4_455 1_555 4_455 H41 H111 C21 71.68(50) 4_455 1_555 4_455 H41 H111 C61 62.60(57) 4_455 1_555 1_545 H41 H111 C21 88.67(67) 4_455 1_555 1_555 H41 H111 C31 44.16(41) 4_455 1_555 4_455 H41 H111 H51 86.87(92) 4_455 1_555 1_545 H41 H111 C61 74.25(59) 4_455 1_555 4_455 H41 H111 H61 80.99(61) 4_455 1_555 1_545 H41 H111 H62 106.50(84) 4_455 1_555 2_545 H41 H111 C41 18.22(27) 4_455 1_555 4_455 H41 H111 C51 44.87(49) 4_455 1_555 4_455 H41 H111 H21 64.57(67) 4_455 1_555 1_555 H41 H111 C11 120.52(65) 4_455 1_555 1_555 H41 H111 H112 162.0(10) 4_455 1_555 1_555 H41 H111 N11 157.64(79) 4_455 1_555 1_555 H122 H111 H41 129.96(87) 2_545 1_555 4_455 H122 H111 H51 89.87(89) 2_545 1_555 4_455 H122 H111 H122 77.83(85) 2_545 1_555 3_665 H122 H111 H51 56.04(90) 2_545 1_555 4_465 H122 H111 C51 146.21(91) 2_545 1_555 1_545 H122 H111 C11 51.73(68) 2_545 1_555 4_455 H122 H111 C21 76.68(76) 2_545 1_555 4_455 H122 H111 C61 123.46(76) 2_545 1_555 1_545 H122 H111 C21 130.6(10) 2_545 1_555 1_555 H122 H111 C31 105.13(95) 2_545 1_555 4_455 H122 H111 H51 136.23(96) 2_545 1_555 1_545 H122 H111 C61 55.75(93) 2_545 1_555 4_455 H122 H111 H61 101.40(74) 2_545 1_555 1_545 H122 H111 H62 51.69(74) 2_545 1_555 2_545 H122 H111 C41 113.31(94) 2_545 1_555 4_455 H122 H111 C51 86.75(96) 2_545 1_555 4_455 H122 H111 H21 151.0(11) 2_545 1_555 1_555 H122 H111 C11 100.57(96) 2_545 1_555 1_555 H122 H111 H112 36.58(91) 2_545 1_555 1_555 H122 H111 N11 70.06(96) 2_545 1_555 1_555 C62 H111 H122 50.25(53) 2_545 1_555 2_545 C62 H111 H41 120.93(74) 2_545 1_555 4_455 C62 H111 H51 73.53(49) 2_545 1_555 4_455 C62 H111 H122 58.95(83) 2_545 1_555 3_665 C62 H111 H51 102.0(11) 2_545 1_555 4_465 C62 H111 C51 96.16(82) 2_545 1_555 1_545 C62 H111 C11 91.61(51) 2_545 1_555 4_455 C62 H111 C21 120.80(72) 2_545 1_555 4_455 C62 H111 C61 75.44(66) 2_545 1_555 1_545 C62 H111 C21 140.23(73) 2_545 1_555 1_555 C62 H111 C31 138.83(64) 2_545 1_555 4_455 C62 H111 H51 93.26(84) 2_545 1_555 1_545 C62 H111 C61 73.92(48) 2_545 1_555 4_455 C62 H111 H61 52.43(57) 2_545 1_555 1_545 C62 H111 H62 16.37(23) 2_545 1_555 2_545 C62 H111 C41 118.77(66) 2_545 1_555 4_455 C62 H111 C51 85.54(52) 2_545 1_555 4_455 C62 H111 H21 151.54(97) 2_545 1_555 1_555 C62 H111 C11 114.94(69) 2_545 1_555 1_555 C62 H111 H112 63.08(87) 2_545 1_555 1_555 C62 H111 N11 78.52(78) 2_545 1_555 1_555 H111 H112 N11 33.81(41) 1_555 1_555 1_555 N12 H112 H111 133.8(14) 2_545 1_555 1_555 N12 H112 N11 153.6(15) 2_545 1_555 1_555 H122 H112 N12 30.59(49) 2_545 1_555 2_545 H122 H112 H111 112.5(16) 2_545 1_555 1_555 H122 H112 N11 145.5(17) 2_545 1_555 1_555 H51 H112 H122 89.4(14) 4_465 1_555 2_545 H51 H112 N12 102.9(17) 4_465 1_555 2_545 H51 H112 H111 101.6(12) 4_465 1_555 1_555 H51 H112 N11 103.0(10) 4_465 1_555 1_555 C11 H112 H51 75.78(65) 1_555 1_555 4_465 C11 H112 H122 163.9(14) 1_555 1_555 2_545 C11 H112 N12 159.3(15) 1_555 1_555 2_545 C11 H112 H111 65.45(17) 1_555 1_555 1_555 C11 H112 N11 37.55(22) 1_555 1_555 1_555 H122 H112 C11 71.82(78) 3_665 1_555 1_555 H122 H112 H51 134.3(12) 3_665 1_555 4_465 H122 H112 H122 124.1(16) 3_665 1_555 2_545 H122 H112 N12 96.6(14) 3_665 1_555 2_545 H122 H112 H111 93.4(10) 3_665 1_555 1_555 H122 H112 N11 68.04(99) 3_665 1_555 1_555 H61 H112 H122 62.73(94) 1_555 1_555 3_665 H61 H112 C11 55.00(27) 1_555 1_555 1_555 H61 H112 H51 72.41(69) 1_555 1_555 4_465 H61 H112 H122 126.8(16) 1_555 1_555 2_545 H61 H112 N12 104.6(14) 1_555 1_555 2_545 H61 H112 H111 119.92(26) 1_555 1_555 1_555 H61 H112 N11 87.76(46) 1_555 1_555 1_555 H62 H112 H61 147.2(10) 2_545 1_555 1_555 H62 H112 H122 85.4(12) 2_545 1_555 3_665 H62 H112 C11 124.5(11) 2_545 1_555 1_555 H62 H112 H51 140.1(11) 2_545 1_555 4_465 H62 H112 H122 64.09(93) 2_545 1_555 2_545 H62 H112 N12 69.68(87) 2_545 1_555 2_545 H62 H112 H111 66.32(93) 2_545 1_555 1_555 H62 H112 N11 87.2(11) 2_545 1_555 1_555 C12 H112 H62 48.17(51) 2_545 1_555 2_545 C12 H112 H61 110.4(10) 2_545 1_555 1_555 C12 H112 H122 73.2(11) 2_545 1_555 3_665 C12 H112 C11 144.8(11) 2_545 1_555 1_555 C12 H112 H51 134.5(15) 2_545 1_555 4_465 C12 H112 H122 51.35(60) 2_545 1_555 2_545 C12 H112 N12 31.57(41) 2_545 1_555 2_545 C12 H112 H111 113.4(11) 2_545 1_555 1_555 C12 H112 N11 122.3(12) 2_545 1_555 1_555 C61 H112 C12 129.49(99) 1_555 1_555 2_545 C61 H112 H62 145.6(11) 1_555 1_555 2_545 C61 H112 H61 23.78(12) 1_555 1_555 1_555 C61 H112 H122 65.11(82) 1_555 1_555 3_665 C61 H112 C11 31.29(23) 1_555 1_555 1_555 C61 H112 H51 70.34(45) 1_555 1_555 4_465 C61 H112 H122 147.6(16) 1_555 1_555 2_545 C61 H112 N12 128.4(15) 1_555 1_555 2_545 C61 H112 H111 96.62(24) 1_555 1_555 1_555 C61 H112 N11 66.07(37) 1_555 1_555 1_555 H121 H112 C61 114.2(11) 2_545 1_555 1_555 H121 H112 C12 45.81(51) 2_545 1_555 2_545 H121 H112 H62 86.60(81) 2_545 1_555 2_545 H121 H112 H61 90.7(11) 2_545 1_555 1_555 H121 H112 H122 99.0(12) 2_545 1_555 3_665 H121 H112 C11 145.3(11) 2_545 1_555 1_555 H121 H112 H51 89.7(15) 2_545 1_555 4_465 H121 H112 H122 38.30(71) 2_545 1_555 2_545 H121 H112 N12 16.93(50) 2_545 1_555 2_545 H121 H112 H111 149.2(11) 2_545 1_555 1_555 H121 H112 N11 166.0(13) 2_545 1_555 1_555 H52 H112 H121 54.9(10) 2_555 1_555 2_545 H52 H112 C61 71.67(55) 2_555 1_555 1_555 H52 H112 C12 59.74(69) 2_555 1_555 2_545 H52 H112 H62 103.38(87) 2_555 1_555 2_545 H52 H112 H61 50.64(56) 2_555 1_555 1_555 H52 H112 H122 49.7(10) 2_555 1_555 3_665 H52 H112 C11 98.87(60) 2_555 1_555 1_555 H52 H112 H51 106.6(16) 2_555 1_555 4_465 H52 H112 H122 91.4(13) 2_555 1_555 2_545 H52 H112 N12 61.4(12) 2_555 1_555 2_545 H52 H112 H111 142.98(93) 2_555 1_555 1_555 H52 H112 N11 114.80(97) 2_555 1_555 1_555 C62 H112 H52 81.37(71) 2_545 1_555 2_555 C62 H112 H121 73.34(67) 2_545 1_555 2_545 C62 H112 C61 136.08(91) 2_545 1_555 1_555 C62 H112 C12 29.10(35) 2_545 1_555 2_545 C62 H112 H62 22.02(24) 2_545 1_555 2_545 C62 H112 H61 127.73(90) 2_545 1_555 1_555 C62 H112 H122 71.0(11) 2_545 1_555 3_665 C62 H112 C11 129.8(10) 2_545 1_555 1_555 C62 H112 H51 152.60(94) 2_545 1_555 4_465 C62 H112 H122 63.88(80) 2_545 1_555 2_545 C62 H112 N12 57.17(70) 2_545 1_555 2_545 C62 H112 H111 84.43(93) 2_545 1_555 1_555 C62 H112 N11 96.7(11) 2_545 1_555 1_555 C11 H112 C62 95.31(96) 4_455 1_555 2_545 C11 H112 H52 147.95(97) 4_455 1_555 2_555 C11 H112 H121 93.51(87) 4_455 1_555 2_545 C11 H112 C61 125.67(80) 4_455 1_555 1_555 C11 H112 C12 103.66(76) 4_455 1_555 2_545 C11 H112 H62 76.87(97) 4_455 1_555 2_545 C11 H112 H61 135.9(11) 4_455 1_555 1_555 C11 H112 H122 157.7(18) 4_455 1_555 3_665 C11 H112 C11 107.26(59) 4_455 1_555 1_555 C11 H112 H51 63.75(71) 4_455 1_555 4_465 C11 H112 H122 59.39(99) 4_455 1_555 2_545 C11 H112 N12 89.9(10) 4_455 1_555 2_545 C11 H112 H111 67.2(10) 4_455 1_555 1_555 C11 H112 N11 97.24(96) 4_455 1_555 1_555 C51 H112 C11 70.89(70) 4_465 1_555 4_455 C51 H112 C62 156.76(82) 4_465 1_555 2_545 C51 H112 H52 100.3(12) 4_465 1_555 2_555 C51 H112 H121 88.5(11) 4_465 1_555 2_545 C51 H112 C61 64.54(36) 4_465 1_555 1_555 C51 H112 C12 134.2(12) 4_465 1_555 2_545 C51 H112 H62 147.01(93) 4_465 1_555 2_545 C51 H112 H61 65.36(51) 4_465 1_555 1_555 C51 H112 H122 127.5(11) 4_465 1_555 3_665 C51 H112 C11 73.13(40) 4_465 1_555 1_555 C51 H112 H51 7.16(33) 4_465 1_555 4_465 C51 H112 H122 92.9(12) 4_465 1_555 2_545 C51 H112 N12 103.0(14) 4_465 1_555 2_545 C51 H112 H111 105.99(74) 4_465 1_555 1_555 C51 H112 N11 103.37(68) 4_465 1_555 1_555 H62 H112 C51 53.32(73) 2_555 1_555 4_465 H62 H112 C11 110.9(12) 2_555 1_555 4_455 H62 H112 C62 119.88(95) 2_555 1_555 2_545 H62 H112 H52 48.15(63) 2_555 1_555 2_555 H62 H112 H121 52.74(82) 2_555 1_555 2_545 H62 H112 C61 63.75(56) 2_555 1_555 1_555 H62 H112 C12 91.08(93) 2_555 1_555 2_545 H62 H112 H62 138.2(10) 2_555 1_555 2_545 H62 H112 H61 43.24(55) 2_555 1_555 1_555 H62 H112 H122 91.4(11) 2_555 1_555 3_665 H62 H112 C11 93.31(55) 2_555 1_555 1_555 H62 H112 H51 59.1(11) 2_555 1_555 4_465 H62 H112 H122 84.3(14) 2_555 1_555 2_545 H62 H112 N12 69.4(12) 2_555 1_555 2_545 H62 H112 H111 155.37(57) 2_555 1_555 1_555 H62 H112 N11 129.81(67) 2_555 1_555 1_555 C61 H112 H62 132.7(11) 4_455 1_555 2_555 C61 H112 C51 97.17(66) 4_455 1_555 4_465 C61 H112 C11 26.40(31) 4_455 1_555 4_455 C61 H112 C62 71.39(83) 4_455 1_555 2_545 C61 H112 H52 145.90(53) 4_455 1_555 2_555 C61 H112 H121 96.84(85) 4_455 1_555 2_545 C61 H112 C61 142.41(67) 4_455 1_555 1_555 C61 H112 C12 87.24(77) 4_455 1_555 2_545 C61 H112 H62 51.24(79) 4_455 1_555 2_545 C61 H112 H61 160.86(87) 4_455 1_555 1_555 C61 H112 H122 132.6(16) 4_455 1_555 3_665 C61 H112 C11 114.20(69) 4_455 1_555 1_555 C61 H112 H51 90.01(76) 4_455 1_555 4_465 C61 H112 H122 58.5(11) 4_455 1_555 2_545 C61 H112 N12 86.3(11) 4_455 1_555 2_545 C61 H112 H111 55.18(93) 4_455 1_555 1_555 C61 H112 N11 89.0(10) 4_455 1_555 1_555 N11 H112 C61 45.49(33) 4_455 1_555 4_455 N11 H112 H62 87.5(12) 4_455 1_555 2_555 N11 H112 C51 61.59(87) 4_455 1_555 4_465 N11 H112 C11 26.24(13) 4_455 1_555 4_455 N11 H112 C62 97.70(79) 4_455 1_555 2_545 N11 H112 H52 122.2(11) 4_455 1_555 2_555 N11 H112 H121 69.45(85) 4_455 1_555 2_545 N11 H112 C61 125.9(12) 4_455 1_555 1_555 N11 H112 C12 93.06(57) 4_455 1_555 2_545 N11 H112 H62 86.25(92) 4_455 1_555 2_545 N11 H112 H61 123.2(13) 4_455 1_555 1_555 N11 H112 H122 166.14(91) 4_455 1_555 3_665 N11 H112 C11 122.03(77) 4_455 1_555 1_555 N11 H112 H51 55.58(96) 4_455 1_555 4_465 N11 H112 H122 42.05(83) 4_455 1_555 2_545 N11 H112 N12 70.04(94) 4_455 1_555 2_545 N11 H112 H111 93.4(11) 4_455 1_555 1_555 N11 H112 N11 122.6(10) 4_455 1_555 1_555 H32 H21 C21 151.53(96) 4_555 1_555 1_555 C11 H21 H32 165.8(12) 1_555 1_555 4_555 C11 H21 C21 35.15(23) 1_555 1_555 1_555 C31 H21 C11 69.44(25) 1_555 1_555 1_555 C31 H21 H32 118.75(95) 1_555 1_555 4_555 C31 H21 C21 34.29(36) 1_555 1_555 1_555 H111 H21 C31 123.90(38) 1_555 1_555 1_555 H111 H21 C11 54.47(28) 1_555 1_555 1_555 H111 H21 H32 116.35(98) 1_555 1_555 4_555 H111 H21 C21 89.62(39) 1_555 1_555 1_555 H31 H21 H111 150.19(44) 1_555 1_555 1_555 H31 H21 C31 26.30(16) 1_555 1_555 1_555 H31 H21 C11 95.74(35) 1_555 1_555 1_555 H31 H21 H32 93.01(97) 1_555 1_555 4_555 H31 H21 C21 60.59(49) 1_555 1_555 1_555 H51 H21 H31 109.03(82) 1_545 1_555 1_555 H51 H21 H111 65.00(97) 1_545 1_555 1_555 H51 H21 C31 100.33(62) 1_545 1_555 1_555 H51 H21 C11 73.35(53) 1_545 1_555 1_555 H51 H21 H32 114.20(92) 1_545 1_555 4_555 H51 H21 C21 86.44(36) 1_545 1_555 1_555 C51 H21 H51 24.65(19) 1_545 1_555 1_545 C51 H21 H31 119.33(80) 1_545 1_555 1_555 C51 H21 H111 68.31(89) 1_545 1_555 1_555 C51 H21 C31 119.96(65) 1_545 1_555 1_555 C51 H21 C11 94.95(57) 1_545 1_555 1_555 C51 H21 H32 90.49(76) 1_545 1_555 4_555 C51 H21 C21 111.04(46) 1_545 1_555 1_555 C32 H21 C51 105.47(72) 4_555 1_555 1_545 C32 H21 H51 125.81(98) 4_555 1_555 1_545 C32 H21 H31 71.86(67) 4_555 1_555 1_555 C32 H21 H111 136.54(74) 4_555 1_555 1_555 C32 H21 C31 97.10(66) 4_555 1_555 1_555 C32 H21 C11 159.36(60) 4_555 1_555 1_555 C32 H21 H32 21.88(32) 4_555 1_555 4_555 C32 H21 C21 129.72(76) 4_555 1_555 1_555 H31 H21 C32 64.15(47) 4_455 1_555 4_555 H31 H21 C51 123.10(66) 4_455 1_555 1_545 H31 H21 H51 140.71(89) 4_455 1_555 1_545 H31 H21 H31 109.97(55) 4_455 1_555 1_555 H31 H21 H111 83.08(58) 4_455 1_555 1_555 H31 H21 C31 116.87(67) 4_455 1_555 1_555 H31 H21 C11 107.05(65) 4_455 1_555 1_555 H31 H21 H32 59.23(82) 4_455 1_555 4_555 H31 H21 C21 117.02(74) 4_455 1_555 1_555 N11 H21 H31 96.90(54) 1_555 1_555 4_455 N11 H21 C32 158.39(78) 1_555 1_555 4_555 N11 H21 C51 75.30(71) 1_555 1_555 1_545 N11 H21 H51 62.08(80) 1_555 1_555 1_545 N11 H21 H31 127.27(37) 1_555 1_555 1_555 N11 H21 H111 23.06(13) 1_555 1_555 1_555 N11 H21 C31 101.06(30) 1_555 1_555 1_555 N11 H21 C11 31.92(17) 1_555 1_555 1_555 N11 H21 H32 139.4(10) 1_555 1_555 4_555 N11 H21 C21 66.87(31) 1_555 1_555 1_555 C31 H21 N11 76.89(57) 4_455 1_555 1_555 C31 H21 H31 23.01(13) 4_455 1_555 4_455 C31 H21 C32 82.32(50) 4_455 1_555 4_555 C31 H21 C51 106.32(63) 4_455 1_555 1_545 C31 H21 H51 119.07(85) 4_455 1_555 1_545 C31 H21 H31 131.79(55) 4_455 1_555 1_555 C31 H21 H111 60.55(57) 4_455 1_555 1_555 C31 H21 C31 131.72(74) 4_455 1_555 1_555 C31 H21 C11 94.95(72) 4_455 1_555 1_555 C31 H21 H32 70.88(77) 4_455 1_555 4_555 C31 H21 C21 117.46(82) 4_455 1_555 1_555 C41 H21 C31 112.24(55) 1_545 1_555 4_455 C41 H21 N11 105.83(63) 1_545 1_555 1_555 C41 H21 H31 117.48(54) 1_545 1_555 4_455 C41 H21 C32 76.64(66) 1_545 1_555 4_555 C41 H21 C51 30.56(22) 1_545 1_555 1_545 C41 H21 H51 49.42(39) 1_545 1_555 1_545 C41 H21 H31 100.65(73) 1_545 1_555 1_555 C41 H21 H111 96.18(77) 1_545 1_555 1_555 C41 H21 C31 114.51(68) 1_545 1_555 1_555 C41 H21 C11 122.75(51) 1_545 1_555 1_555 C41 H21 H32 66.19(81) 1_545 1_555 4_555 C41 H21 C21 125.49(53) 1_545 1_555 1_555 H41 H21 C41 22.59(22) 1_545 1_555 1_545 H41 H21 C31 129.81(62) 1_545 1_555 4_455 H41 H21 N11 120.30(55) 1_545 1_555 1_555 H41 H21 H31 126.66(57) 1_545 1_555 4_455 H41 H21 C32 69.71(72) 1_545 1_555 4_555 H41 H21 C51 48.09(42) 1_545 1_555 1_545 H41 H21 H51 58.39(58) 1_545 1_555 1_545 H41 H21 H31 78.06(56) 1_545 1_555 1_555 H41 H21 H111 116.36(68) 1_545 1_555 1_555 H41 H21 C31 93.47(53) 1_545 1_555 1_555 H41 H21 C11 124.97(47) 1_545 1_555 1_555 H41 H21 H32 67.90(98) 1_545 1_555 4_555 H41 H21 C21 112.46(54) 1_545 1_555 1_555 H42 H21 H41 112.47(86) 4_555 1_555 1_545 H42 H21 C41 124.29(83) 4_555 1_555 1_545 H42 H21 C31 70.26(51) 4_555 1_555 4_455 H42 H21 N11 127.23(63) 4_555 1_555 1_555 H42 H21 H31 47.85(47) 4_555 1_555 4_455 H42 H21 C32 47.86(36) 4_555 1_555 4_555 H42 H21 C51 153.01(79) 4_555 1_555 1_545 H42 H21 H51 169.5(13) 4_555 1_555 1_545 H42 H21 H31 62.14(48) 4_555 1_555 1_555 H42 H21 H111 125.47(69) 4_555 1_555 1_555 H42 H21 C31 74.13(44) 4_555 1_555 1_555 H42 H21 C11 111.93(57) 4_555 1_555 1_555 H42 H21 H32 62.82(57) 4_555 1_555 4_555 H42 H21 C21 93.24(55) 4_555 1_555 1_555 C41 H21 H42 92.34(51) 4_455 1_555 4_555 C41 H21 H41 105.30(55) 4_455 1_555 1_545 C41 H21 C41 85.07(42) 4_455 1_555 1_545 C41 H21 C31 28.51(20) 4_455 1_555 4_455 C41 H21 N11 75.28(72) 4_455 1_555 1_555 C41 H21 H31 45.84(29) 4_455 1_555 4_455 C41 H21 C32 83.65(50) 4_455 1_555 4_555 C41 H21 C51 78.50(46) 4_455 1_555 1_545 C41 H21 H51 95.15(67) 4_455 1_555 1_545 C41 H21 H31 152.56(59) 4_455 1_555 1_555 C41 H21 H111 52.91(67) 4_455 1_555 1_555 C41 H21 C31 160.12(79) 4_455 1_555 1_555 C41 H21 C11 103.68(85) 4_455 1_555 1_555 C41 H21 H32 64.53(65) 4_455 1_555 4_555 C41 H21 C21 136.10(94) 4_455 1_555 1_555 H41 H21 C41 21.00(16) 4_455 1_555 4_455 H41 H21 H42 92.36(51) 4_455 1_555 4_555 H41 H21 H41 85.96(51) 4_455 1_555 1_545 H41 H21 C41 67.84(35) 4_455 1_555 1_545 H41 H21 C31 44.53(31) 4_455 1_555 4_455 H41 H21 N11 91.96(82) 4_455 1_555 1_555 H41 H21 H31 53.69(37) 4_455 1_555 4_455 H41 H21 C32 68.76(47) 4_455 1_555 4_555 H41 H21 C51 70.09(41) 4_455 1_555 1_545 H41 H21 H51 92.02(59) 4_455 1_555 1_545 H41 H21 H31 140.53(84) 4_455 1_555 1_555 H41 H21 H111 68.91(81) 4_455 1_555 1_555 H41 H21 C31 165.15(71) 4_455 1_555 1_555 H41 H21 C11 122.65(92) 4_455 1_555 1_555 H41 H21 H32 47.53(54) 4_455 1_555 4_555 H41 H21 C21 156.8(10) 4_455 1_555 1_555 C42 H21 H41 86.99(47) 4_555 1_555 4_455 C42 H21 C41 94.49(43) 4_555 1_555 4_455 C42 H21 H42 21.14(17) 4_555 1_555 4_555 C42 H21 H41 91.70(76) 4_555 1_555 1_545 C42 H21 C41 103.46(75) 4_555 1_555 1_545 C42 H21 C31 80.05(42) 4_555 1_555 4_455 C42 H21 N11 147.86(60) 4_555 1_555 1_555 C42 H21 H31 57.28(38) 4_555 1_555 4_455 C42 H21 C32 28.20(22) 4_555 1_555 4_555 C42 H21 C51 133.31(82) 4_555 1_555 1_545 C42 H21 H51 150.0(12) 4_555 1_555 1_545 C42 H21 H31 58.07(48) 4_555 1_555 1_555 C42 H21 H111 140.31(66) 4_555 1_555 1_555 C42 H21 C31 78.19(46) 4_555 1_555 1_555 C42 H21 C11 131.16(52) 4_555 1_555 1_555 C42 H21 H32 46.91(47) 4_555 1_555 4_555 C42 H21 C21 105.67(59) 4_555 1_555 1_555 H22 H31 C31 113.07(75) 4_565 1_555 1_555 C21 H31 H22 129.32(85) 1_555 1_555 4_565 C21 H31 C31 36.11(21) 1_555 1_555 1_555 C41 H31 C21 69.28(21) 1_555 1_555 1_555 C41 H31 H22 91.93(68) 1_555 1_555 4_565 C41 H31 C31 33.17(27) 1_555 1_555 1_555 H42 H31 C41 140.58(81) 1_655 1_555 1_555 H42 H31 C21 131.03(87) 1_655 1_555 1_555 H42 H31 H22 93.66(93) 1_655 1_555 4_565 H42 H31 C31 150.55(62) 1_655 1_555 1_555 H32 H31 H42 68.57(60) 1_655 1_555 1_655 H32 H31 C41 74.47(57) 1_655 1_555 1_555 H32 H31 C21 133.86(53) 1_655 1_555 1_555 H32 H31 H22 78.4(10) 1_655 1_555 4_565 H32 H31 C31 103.69(66) 1_655 1_555 1_555 H21 H31 H32 149.76(54) 1_555 1_555 1_655 H21 H31 H42 109.46(89) 1_555 1_555 1_655 H21 H31 C41 95.54(14) 1_555 1_555 1_555 H21 H31 C21 26.26(17) 1_555 1_555 1_555 H21 H31 H22 131.17(92) 1_555 1_555 4_565 H21 H31 C31 62.37(30) 1_555 1_555 1_555 H41 H31 H21 120.42(16) 1_555 1_555 1_555 H41 H31 H32 53.34(58) 1_555 1_555 1_655 H41 H31 H42 121.90(86) 1_555 1_555 1_655 H41 H31 C41 24.88(11) 1_555 1_555 1_555 H41 H31 C21 94.16(25) 1_555 1_555 1_555 H41 H31 H22 75.58(72) 1_555 1_555 4_565 H41 H31 C31 58.05(35) 1_555 1_555 1_555 H21 H31 H41 70.15(53) 4_555 1_555 1_555 H21 H31 H21 105.35(43) 4_555 1_555 1_555 H21 H31 H32 44.73(56) 4_555 1_555 1_655 H21 H31 H42 69.58(57) 4_555 1_555 1_655 H21 H31 C41 74.77(54) 4_555 1_555 1_555 H21 H31 C21 97.58(43) 4_555 1_555 1_555 H21 H31 H22 123.12(95) 4_555 1_555 4_565 H21 H31 C31 84.93(51) 4_555 1_555 1_555 C42 H31 H21 149.76(78) 4_555 1_555 4_555 C42 H31 H41 138.34(56) 4_555 1_555 1_555 C42 H31 H21 71.44(63) 4_555 1_555 1_555 C42 H31 H32 135.26(75) 4_555 1_555 1_655 C42 H31 H42 82.96(42) 4_555 1_555 1_655 C42 H31 C41 134.99(61) 4_555 1_555 1_555 C42 H31 C21 90.87(70) 4_555 1_555 1_555 C42 H31 H22 69.50(70) 4_555 1_555 4_565 C42 H31 C31 117.03(73) 4_555 1_555 1_555 H42 H31 C42 23.13(17) 4_555 1_555 4_555 H42 H31 H21 168.13(85) 4_555 1_555 4_555 H42 H31 H41 120.25(55) 4_555 1_555 1_555 H42 H31 H21 65.09(54) 4_555 1_555 1_555 H42 H31 H32 145.15(80) 4_555 1_555 1_655 H42 H31 H42 106.05(54) 4_555 1_555 1_655 H42 H31 C41 112.09(56) 4_555 1_555 1_555 H42 H31 C21 76.78(58) 4_555 1_555 1_555 H42 H31 H22 67.41(89) 4_555 1_555 4_565 H42 H31 C31 95.92(61) 4_555 1_555 1_555 C42 H31 H42 112.24(48) 1_655 1_555 4_555 C42 H31 C42 91.23(39) 1_655 1_555 4_555 C42 H31 H21 68.15(43) 1_655 1_555 4_555 C42 H31 H41 102.60(70) 1_655 1_555 1_555 C42 H31 H21 131.83(74) 1_655 1_555 1_555 C42 H31 H32 50.81(42) 1_655 1_555 1_655 C42 H31 H42 22.38(23) 1_655 1_555 1_655 C42 H31 C41 125.25(73) 1_655 1_555 1_555 C42 H31 C21 152.04(68) 1_655 1_555 1_555 C42 H31 H22 77.12(87) 1_655 1_555 4_565 C42 H31 C31 151.68(68) 1_655 1_555 1_555 C32 H31 C42 29.92(23) 1_655 1_555 1_655 C32 H31 H42 129.22(61) 1_655 1_555 4_555 C32 H31 C42 114.01(55) 1_655 1_555 4_555 C32 H31 H21 57.11(43) 1_655 1_555 4_555 C32 H31 H41 72.68(57) 1_655 1_555 1_555 C32 H31 H21 155.37(58) 1_655 1_555 1_555 C32 H31 H32 22.41(22) 1_655 1_555 1_655 C32 H31 H42 50.53(44) 1_655 1_555 1_655 C32 H31 C41 95.73(60) 1_655 1_555 1_555 C32 H31 C21 153.98(50) 1_655 1_555 1_555 C32 H31 H22 70.16(88) 1_655 1_555 4_565 C32 H31 C31 126.06(69) 1_655 1_555 1_555 C32 H31 C32 116.31(58) 4_555 1_555 1_655 C32 H31 C42 86.93(43) 4_555 1_555 1_655 C32 H31 H42 45.13(32) 4_555 1_555 4_555 C32 H31 C42 28.65(21) 4_555 1_555 4_555 C32 H31 H21 124.24(78) 4_555 1_555 4_555 C32 H31 H41 165.33(63) 4_555 1_555 1_555 C32 H31 H21 56.36(70) 4_555 1_555 1_555 C32 H31 H32 137.68(73) 4_555 1_555 1_655 C32 H31 H42 70.00(39) 4_555 1_555 1_655 C32 H31 C41 147.82(77) 4_555 1_555 1_555 C32 H31 C21 81.70(78) 4_555 1_555 1_555 C32 H31 H22 96.10(75) 4_555 1_555 4_565 C32 H31 C31 116.67(86) 4_555 1_555 1_555 C22 H31 C32 102.81(53) 4_565 1_555 4_555 C22 H31 C32 73.48(58) 4_565 1_555 1_655 C22 H31 C42 84.40(62) 4_565 1_555 1_655 C22 H31 H42 69.32(55) 4_565 1_555 4_555 C22 H31 C42 75.07(46) 4_565 1_555 4_555 C22 H31 H21 122.04(68) 4_565 1_555 4_555 C22 H31 H41 67.60(44) 4_565 1_555 1_555 C22 H31 H21 129.76(52) 4_565 1_555 1_555 C22 H31 H32 78.10(72) 4_565 1_555 1_655 C22 H31 H42 102.24(74) 4_565 1_555 1_655 C22 H31 C41 82.66(43) 4_565 1_555 1_555 C22 H31 C21 122.98(49) 4_565 1_555 1_555 C22 H31 H22 9.53(32) 4_565 1_555 4_565 C22 H31 C31 103.76(50) 4_565 1_555 1_555 H32 H31 C22 117.45(66) 4_555 1_555 4_565 H32 H31 C32 19.89(15) 4_555 1_555 4_555 H32 H31 C32 131.26(59) 4_555 1_555 1_655 H32 H31 C42 101.40(46) 4_555 1_555 1_655 H32 H31 H42 50.68(43) 4_555 1_555 4_555 H32 H31 C42 42.95(35) 4_555 1_555 4_555 H32 H31 H21 117.47(75) 4_555 1_555 4_555 H32 H31 H41 155.87(73) 4_555 1_555 1_555 H32 H31 H21 36.88(67) 4_555 1_555 1_555 H32 H31 H32 148.74(73) 4_555 1_555 1_655 H32 H31 H42 81.22(43) 4_555 1_555 1_655 H32 H31 C41 131.54(75) 4_555 1_555 1_555 H32 H31 C21 62.82(76) 4_555 1_555 1_555 H32 H31 H22 112.44(92) 4_555 1_555 4_565 H32 H31 C31 98.67(86) 4_555 1_555 1_555 H32 H31 H32 113.37(75) 4_565 1_555 4_555 H32 H31 C22 39.60(24) 4_565 1_555 4_565 H32 H31 C32 111.66(62) 4_565 1_555 4_555 H32 H31 C32 103.34(58) 4_565 1_555 1_655 H32 H31 C42 122.68(67) 4_565 1_555 1_655 H32 H31 H42 66.56(45) 4_565 1_555 4_555 H32 H31 C42 85.59(50) 4_565 1_555 4_555 H32 H31 H21 123.90(71) 4_565 1_555 4_555 H32 H31 H41 53.79(37) 4_565 1_555 1_555 H32 H31 H21 101.01(40) 4_565 1_555 1_555 H32 H31 H32 95.87(62) 4_565 1_555 1_655 H32 H31 H42 141.84(79) 4_565 1_555 1_655 H32 H31 C41 53.94(34) 4_565 1_555 1_555 H32 H31 C21 85.28(40) 4_565 1_555 1_555 H32 H31 H22 48.35(54) 4_565 1_555 4_565 H32 H31 C31 65.22(38) 4_565 1_555 1_555 C51 H41 C41 33.75(11) 1_555 1_555 1_555 C31 H41 C51 67.50(22) 1_555 1_555 1_555 C31 H41 C41 33.75(11) 1_555 1_555 1_555 H32 H41 C31 79.08(72) 1_655 1_555 1_555 H32 H41 C51 135.28(66) 1_655 1_555 1_555 H32 H41 C41 108.27(71) 1_655 1_555 1_555 H51 H41 H32 148.71(55) 1_555 1_555 1_655 H51 H41 C31 92.35(24) 1_555 1_555 1_555 H51 H41 C51 24.85(12) 1_555 1_555 1_555 H51 H41 C41 58.60(16) 1_555 1_555 1_555 H31 H41 H51 117.19(32) 1_555 1_555 1_555 H31 H41 H32 58.13(74) 1_555 1_555 1_655 H31 H41 C31 24.85(12) 1_555 1_555 1_555 H31 H41 C51 92.35(24) 1_555 1_555 1_555 H31 H41 C41 58.60(16) 1_555 1_555 1_555 H32 H41 H31 76.51(50) 4_565 1_555 1_555 H32 H41 H51 88.40(46) 4_565 1_555 1_555 H32 H41 H32 117.22(65) 4_565 1_555 1_655 H32 H41 C31 74.03(47) 4_565 1_555 1_555 H32 H41 C51 81.86(44) 4_565 1_555 1_555 H32 H41 C41 75.49(43) 4_565 1_555 1_555 H21 H41 H32 40.89(55) 1_565 1_555 4_565 H21 H41 H31 111.97(45) 1_565 1_555 1_555 H21 H41 H51 54.57(52) 1_565 1_555 1_555 H21 H41 H32 156.03(63) 1_565 1_555 1_655 H21 H41 C31 98.42(50) 1_565 1_555 1_555 H21 H41 C51 61.68(54) 1_565 1_555 1_555 H21 H41 C41 78.62(53) 1_565 1_555 1_555 H22 H41 H21 92.90(55) 4_565 1_555 1_565 H22 H41 H32 52.46(41) 4_565 1_555 4_565 H22 H41 H31 42.91(54) 4_565 1_555 1_555 H22 H41 H51 136.10(61) 4_565 1_555 1_555 H22 H41 H32 64.81(45) 4_565 1_555 1_655 H22 H41 C31 61.16(59) 4_565 1_555 1_555 H22 H41 C51 117.61(64) 4_565 1_555 1_555 H22 H41 C41 89.35(63) 4_565 1_555 1_555 C21 H41 H22 135.97(67) 4_565 1_555 4_565 C21 H41 H21 95.34(41) 4_565 1_555 1_565 C21 H41 H32 126.95(70) 4_565 1_555 4_565 C21 H41 H31 152.46(70) 4_565 1_555 1_555 C21 H41 H51 81.15(68) 4_565 1_555 1_555 C21 H41 H32 95.27(55) 4_565 1_555 1_655 C21 H41 C31 157.42(53) 4_565 1_555 1_555 C21 H41 C51 104.24(65) 4_565 1_555 1_555 C21 H41 C41 134.68(61) 4_565 1_555 1_555 H42 H41 C21 64.59(46) 1_665 1_555 4_565 H42 H41 H22 73.24(57) 1_665 1_555 4_565 H42 H41 H21 84.82(44) 1_665 1_555 1_565 H42 H41 H32 80.01(41) 1_665 1_555 4_565 H42 H41 H31 112.78(50) 1_665 1_555 1_555 H42 H41 H51 124.05(56) 1_665 1_555 1_555 H42 H41 H32 80.44(49) 1_665 1_555 1_655 H42 H41 C31 134.37(45) 1_665 1_555 1_555 H42 H41 C51 144.27(57) 1_665 1_555 1_555 H42 H41 C41 155.33(45) 1_665 1_555 1_555 C11 H41 H42 91.38(54) 4_565 1_555 1_665 C11 H41 C21 28.58(27) 4_565 1_555 4_565 C11 H41 H22 164.39(75) 4_565 1_555 4_565 C11 H41 H21 88.26(40) 4_565 1_555 1_565 C11 H41 H32 128.70(65) 4_565 1_555 4_565 C11 H41 H31 149.09(52) 4_565 1_555 1_555 C11 H41 H51 55.35(61) 4_565 1_555 1_555 C11 H41 H32 110.78(53) 4_565 1_555 1_655 C11 H41 C31 134.04(60) 4_565 1_555 1_555 C11 H41 C51 76.51(62) 4_565 1_555 1_555 C11 H41 C41 106.13(62) 4_565 1_555 1_555 H21 H41 C11 96.07(51) 4_555 1_555 4_565 H21 H41 H42 118.10(68) 4_555 1_555 1_665 H21 H41 C21 99.49(59) 4_555 1_555 4_565 H21 H41 H22 89.07(56) 4_555 1_555 4_565 H21 H41 H21 156.44(75) 4_555 1_555 1_565 H21 H41 H32 132.62(65) 4_555 1_555 4_565 H21 H41 H31 56.16(28) 4_555 1_555 1_555 H21 H41 H51 109.82(44) 4_555 1_555 1_555 H21 H41 H32 39.77(70) 4_555 1_555 1_655 H21 H41 C31 62.26(25) 4_555 1_555 1_555 H21 H41 C51 96.76(41) 4_555 1_555 1_555 H21 H41 C41 77.93(32) 4_555 1_555 1_555 C31 H41 H21 77.89(61) 4_565 1_555 4_555 C31 H41 C11 49.34(27) 4_565 1_555 4_565 C31 H41 H42 61.93(37) 4_565 1_555 1_665 C31 H41 C21 27.72(16) 4_565 1_555 4_565 C31 H41 H22 118.16(62) 4_565 1_555 4_565 C31 H41 H21 121.01(46) 4_565 1_555 1_565 C31 H41 H32 140.82(58) 4_565 1_555 4_565 C31 H41 H31 125.15(68) 4_565 1_555 1_555 C31 H41 H51 104.67(54) 4_565 1_555 1_555 C31 H41 H32 67.55(52) 4_565 1_555 1_655 C31 H41 C31 140.03(65) 4_565 1_555 1_555 C31 H41 C51 123.81(45) 4_565 1_555 1_555 C31 H41 C41 142.70(42) 4_565 1_555 1_555 C61 H41 C31 55.08(27) 4_565 1_555 4_565 C61 H41 H21 70.94(47) 4_565 1_555 4_555 C61 H41 C11 27.30(22) 4_565 1_555 4_565 C61 H41 H42 112.26(53) 4_565 1_555 1_665 C61 H41 C21 48.26(43) 4_565 1_555 4_565 C61 H41 H22 159.64(60) 4_565 1_555 4_565 C61 H41 H21 106.95(45) 4_565 1_555 1_565 C61 H41 H32 146.29(50) 4_565 1_555 4_565 C61 H41 H31 121.80(52) 4_565 1_555 1_555 C61 H41 H51 58.41(31) 4_565 1_555 1_555 C61 H41 H32 96.14(51) 4_565 1_555 1_655 C61 H41 C31 110.15(51) 4_565 1_555 1_555 C61 H41 C51 70.15(33) 4_565 1_555 1_555 C61 H41 C41 90.17(43) 4_565 1_555 1_555 C32 H41 C61 157.24(58) 4_565 1_555 4_565 C32 H41 C31 123.14(46) 4_565 1_555 4_565 C32 H41 H21 131.81(55) 4_565 1_555 4_555 C32 H41 C11 131.27(60) 4_565 1_555 4_565 C32 H41 H42 61.22(35) 4_565 1_555 1_665 C32 H41 C21 117.70(57) 4_565 1_555 4_565 C32 H41 H22 42.96(28) 4_565 1_555 4_565 C32 H41 H21 52.45(47) 4_565 1_555 1_565 C32 H41 H32 20.45(13) 4_565 1_555 4_565 C32 H41 H31 78.94(40) 4_565 1_555 1_555 C32 H41 H51 105.47(42) 4_565 1_555 1_555 C32 H41 H32 103.66(57) 4_565 1_555 1_655 C32 H41 C31 84.87(40) 4_565 1_555 1_555 C32 H41 C51 102.07(42) 4_565 1_555 1_555 C32 H41 C41 94.12(41) 4_565 1_555 1_555 H111 H41 C32 137.95(75) 4_555 1_555 4_565 H111 H41 C61 53.58(54) 4_555 1_555 4_565 H111 H41 C31 98.57(72) 4_555 1_555 4_565 H111 H41 H21 46.52(41) 4_555 1_555 4_555 H111 H41 C11 78.80(58) 4_555 1_555 4_565 H111 H41 H42 159.48(75) 4_555 1_555 1_665 H111 H41 C21 101.52(72) 4_555 1_555 4_565 H111 H41 H22 114.86(76) 4_555 1_555 4_565 H111 H41 H21 112.53(66) 4_555 1_555 1_565 H111 H41 H32 120.17(73) 4_555 1_555 4_565 H111 H41 H31 72.01(53) 4_555 1_555 1_555 H111 H41 H51 64.41(38) 4_555 1_555 1_555 H111 H41 H32 86.23(69) 4_555 1_555 1_655 H111 H41 C31 56.56(54) 4_555 1_555 1_555 H111 H41 C51 50.87(31) 4_555 1_555 1_555 H111 H41 C41 44.70(43) 4_555 1_555 1_555 C22 H41 H111 134.03(75) 4_565 1_555 4_555 C22 H41 C32 26.41(14) 4_565 1_555 4_565 C22 H41 C61 168.54(55) 4_565 1_555 4_565 C22 H41 C31 113.47(46) 4_565 1_555 4_565 C22 H41 H21 107.80(55) 4_565 1_555 4_555 C22 H41 C11 147.17(66) 4_565 1_555 4_565 C22 H41 H42 57.73(47) 4_565 1_555 1_665 C22 H41 C21 122.31(56) 4_565 1_555 4_565 C22 H41 H22 20.34(14) 4_565 1_555 4_565 C22 H41 H21 78.85(49) 4_565 1_555 1_565 C22 H41 H32 42.36(26) 4_565 1_555 4_565 C22 H41 H31 62.78(47) 4_565 1_555 1_555 C22 H41 H51 130.71(45) 4_565 1_555 1_555 C22 H41 H32 77.30(48) 4_565 1_555 1_655 C22 H41 C31 78.13(49) 4_565 1_555 1_555 C22 H41 C51 121.10(48) 4_565 1_555 1_555 C22 H41 C41 100.77(50) 4_565 1_555 1_555 C32 H41 C22 66.78(34) 1_655 1_555 4_565 C32 H41 H111 95.72(54) 1_655 1_555 4_555 C32 H41 C32 93.03(42) 1_655 1_555 4_565 C32 H41 C61 106.07(38) 1_655 1_555 4_565 C32 H41 C31 71.32(36) 1_655 1_555 4_565 C32 H41 H21 49.70(55) 1_655 1_555 4_555 C32 H41 C11 117.90(40) 1_655 1_555 4_565 C32 H41 H42 72.85(32) 1_655 1_555 1_665 C32 H41 C21 98.51(41) 1_655 1_555 4_565 C32 H41 H22 55.65(39) 1_655 1_555 4_565 C32 H41 H21 145.23(52) 1_655 1_555 1_565 C32 H41 H32 107.58(53) 1_655 1_555 4_565 C32 H41 H31 56.83(53) 1_655 1_555 1_555 C32 H41 H51 159.36(43) 1_655 1_555 1_555 C32 H41 H32 10.87(21) 1_655 1_555 1_655 C32 H41 C31 80.07(52) 1_655 1_555 1_555 C32 H41 C51 142.45(50) 1_655 1_555 1_555 C32 H41 C41 111.90(51) 1_655 1_555 1_555 C41 H41 C32 62.77(32) 4_565 1_555 1_655 C41 H41 C22 123.61(40) 4_565 1_555 4_565 C41 H41 H111 75.32(68) 4_565 1_555 4_555 C41 H41 C32 143.16(37) 4_565 1_555 4_565 C41 H41 C61 46.18(16) 4_565 1_555 4_565 C41 H41 C31 26.120(83) 4_565 1_555 4_565 C41 H41 H21 52.79(53) 4_565 1_555 4_555 C41 H41 C11 55.97(21) 4_565 1_555 4_565 C41 H41 H42 84.24(37) 4_565 1_555 1_665 C41 H41 C21 47.53(18) 4_565 1_555 4_565 C41 H41 H22 118.11(57) 4_565 1_555 4_565 C41 H41 H21 142.16(47) 4_565 1_555 1_565 C41 H41 H32 163.57(44) 4_565 1_555 4_565 C41 H41 H31 105.68(58) 4_565 1_555 1_555 C41 H41 H51 104.42(38) 4_565 1_555 1_555 C41 H41 H32 54.84(48) 4_565 1_555 1_655 C41 H41 C31 114.91(57) 4_565 1_555 1_555 C41 H41 C51 114.03(32) 4_565 1_555 1_555 C41 H41 C41 119.88(44) 4_565 1_555 1_555 C51 H41 C41 25.521(84) 4_565 1_555 4_565 C51 H41 C32 80.41(34) 4_565 1_555 1_655 C51 H41 C22 146.57(39) 4_565 1_555 4_565 C51 H41 H111 52.78(64) 4_565 1_555 4_555 C51 H41 C32 168.49(41) 4_565 1_555 4_565 C51 H41 C61 25.83(12) 4_565 1_555 4_565 C51 H41 C31 45.80(17) 4_565 1_555 4_565 C51 H41 H21 49.13(40) 4_565 1_555 4_555 C51 H41 C11 47.20(20) 4_565 1_555 4_565 C51 H41 H42 107.58(40) 4_565 1_555 1_665 C51 H41 C21 54.75(27) 4_565 1_555 4_565 C51 H41 H22 134.37(55) 4_565 1_555 4_565 C51 H41 H21 132.69(46) 4_565 1_555 1_565 C51 H41 H32 170.58(40) 4_565 1_555 4_565 C51 H41 H31 104.80(50) 4_565 1_555 1_555 C51 H41 H51 82.71(33) 4_565 1_555 1_555 C51 H41 H32 70.33(47) 4_565 1_555 1_655 C51 H41 C31 103.12(47) 4_565 1_555 1_555 C51 H41 C51 88.75(28) 4_565 1_555 1_555 C51 H41 C41 97.09(35) 4_565 1_555 1_555 H112 H51 C51 159.27(87) 4_565 1_555 1_555 C61 H51 H112 138.2(14) 1_555 1_555 4_565 C61 H51 C51 36.11(21) 1_555 1_555 1_555 C41 H51 C61 69.28(21) 1_555 1_555 1_555 C41 H51 H112 142.4(10) 1_555 1_555 4_565 C41 H51 C51 33.17(27) 1_555 1_555 1_555 H61 H51 C41 95.54(14) 1_555 1_555 1_555 H61 H51 C61 26.26(17) 1_555 1_555 1_555 H61 H51 H112 114.7(13) 1_555 1_555 4_565 H61 H51 C51 62.37(30) 1_555 1_555 1_555 H21 H51 H61 108.49(78) 1_565 1_555 1_555 H21 H51 C41 72.81(53) 1_565 1_555 1_555 H21 H51 C61 99.59(55) 1_565 1_555 1_555 H21 H51 H112 114.3(11) 1_565 1_555 4_565 H21 H51 C51 84.91(33) 1_565 1_555 1_555 N11 H51 H21 102.06(99) 4_565 1_555 1_565 N11 H51 H61 138.40(92) 4_565 1_555 1_555 N11 H51 C41 120.45(86) 4_565 1_555 1_555 N11 H51 C61 158.13(85) 4_565 1_555 1_555 N11 H51 H112 24.15(48) 4_565 1_555 4_565 N11 H51 C51 149.56(84) 4_565 1_555 1_555 C11 H51 N11 32.68(44) 4_565 1_555 4_565 C11 H51 H21 103.9(11) 4_565 1_555 1_565 C11 H51 H61 147.25(60) 4_565 1_555 1_555 C11 H51 C41 89.39(57) 4_565 1_555 1_555 C11 H51 C61 141.78(57) 4_565 1_555 1_555 C11 H51 H112 53.10(75) 4_565 1_555 4_565 C11 H51 C51 116.92(66) 4_565 1_555 1_555 H41 H51 C11 68.61(55) 1_555 1_555 4_565 H41 H51 N11 97.07(85) 1_555 1_555 4_565 H41 H51 H21 67.04(75) 1_555 1_555 1_565 H41 H51 H61 120.42(16) 1_555 1_555 1_555 H41 H51 C41 24.88(11) 1_555 1_555 1_555 H41 H51 C61 94.16(25) 1_555 1_555 1_555 H41 H51 H112 120.7(12) 1_555 1_555 4_565 H41 H51 C51 58.05(35) 1_555 1_555 1_555 H111 H51 H41 116.62(55) 1_565 1_555 1_555 H111 H51 C11 147.47(66) 1_565 1_555 4_565 H111 H51 N11 119.71(53) 1_565 1_555 4_565 H111 H51 H21 56.60(69) 1_565 1_555 1_565 H111 H51 H61 60.98(49) 1_565 1_555 1_555 H111 H51 C41 106.29(45) 1_565 1_555 1_555 H111 H51 C61 70.66(38) 1_565 1_555 1_555 H111 H51 H112 107.71(69) 1_565 1_555 4_565 H111 H51 C51 89.03(39) 1_565 1_555 1_555 C21 H51 H111 60.41(62) 1_565 1_555 1_565 C21 H51 H41 80.24(66) 1_565 1_555 1_555 C21 H51 C11 91.06(97) 1_565 1_555 4_565 C21 H51 N11 80.12(81) 1_565 1_555 4_565 C21 H51 H21 24.43(19) 1_565 1_555 1_565 C21 H51 H61 120.84(79) 1_565 1_555 1_555 C21 H51 C41 93.12(52) 1_565 1_555 1_555 C21 H51 C61 120.40(62) 1_565 1_555 1_555 C21 H51 H112 90.0(11) 1_565 1_555 4_565 C21 H51 C51 109.29(43) 1_565 1_555 1_555 N11 H51 C21 55.63(51) 1_565 1_555 1_565 N11 H51 H111 22.98(31) 1_565 1_555 1_565 N11 H51 H41 129.88(53) 1_565 1_555 1_555 N11 H51 C11 127.87(59) 1_565 1_555 4_565 N11 H51 N11 97.36(37) 1_565 1_555 4_565 N11 H51 H21 63.06(67) 1_565 1_555 1_565 N11 H51 H61 73.17(57) 1_565 1_555 1_555 N11 H51 C41 126.78(48) 1_565 1_555 1_555 N11 H51 C61 89.66(57) 1_565 1_555 1_555 N11 H51 H112 84.96(45) 1_565 1_555 4_565 N11 H51 C51 111.95(54) 1_565 1_555 1_555 H61 H51 N11 139.34(55) 4_565 1_555 1_565 H61 H51 C21 138.7(12) 4_565 1_555 1_565 H61 H51 H111 152.72(88) 4_565 1_555 1_565 H61 H51 H41 89.04(48) 4_565 1_555 1_555 H61 H51 C11 48.29(34) 4_565 1_555 4_565 H61 H51 N11 61.65(51) 4_565 1_555 4_565 H61 H51 H21 150.0(13) 4_565 1_555 1_565 H61 H51 H61 99.03(67) 4_565 1_555 1_555 H61 H51 C41 93.28(56) 4_565 1_555 1_555 H61 H51 C61 99.96(74) 4_565 1_555 1_555 H61 H51 H112 61.66(52) 4_565 1_555 4_565 H61 H51 C51 97.89(70) 4_565 1_555 1_555 H62 H51 H61 46.86(66) 3_665 1_555 4_565 H62 H51 N11 109.22(75) 3_665 1_555 1_565 H62 H51 C21 163.28(76) 3_665 1_555 1_565 H62 H51 H111 108.93(84) 3_665 1_555 1_565 H62 H51 H41 116.47(60) 3_665 1_555 1_555 H62 H51 C11 94.62(62) 3_665 1_555 4_565 H62 H51 N11 96.34(66) 3_665 1_555 4_565 H62 H51 H21 160.8(10) 3_665 1_555 1_565 H62 H51 H61 52.69(61) 3_665 1_555 1_555 H62 H51 C41 102.63(60) 3_665 1_555 1_555 H62 H51 C61 61.82(63) 3_665 1_555 1_555 H62 H51 H112 81.0(10) 3_665 1_555 4_565 H62 H51 C51 82.04(66) 3_665 1_555 1_555 C11 H51 H62 133.02(72) 1_565 1_555 3_665 C11 H51 H61 136.11(80) 1_565 1_555 4_565 C11 H51 N11 30.30(27) 1_565 1_555 1_565 C11 H51 C21 30.27(30) 1_565 1_555 1_565 C11 H51 H111 45.86(48) 1_565 1_555 1_565 C11 H51 H41 110.51(62) 1_565 1_555 1_555 C11 H51 C11 101.62(80) 1_565 1_555 4_565 C11 H51 N11 76.77(51) 1_565 1_555 4_565 C11 H51 H21 48.34(43) 1_565 1_555 1_565 C11 H51 H61 103.32(76) 1_565 1_555 1_555 C11 H51 C41 121.12(51) 1_565 1_555 1_555 C11 H51 C61 116.51(71) 1_565 1_555 1_555 C11 H51 H112 74.71(69) 1_565 1_555 4_565 C11 H51 C51 125.92(49) 1_565 1_555 1_555 C61 H51 C11 130.89(94) 4_565 1_555 1_565 C61 H51 H62 68.61(64) 4_565 1_555 3_665 C61 H51 H61 22.78(11) 4_565 1_555 4_565 C61 H51 N11 150.77(56) 4_565 1_555 1_565 C61 H51 C21 120.3(11) 4_565 1_555 1_565 C61 H51 H111 173.17(58) 4_565 1_555 1_565 C61 H51 H41 69.74(47) 4_565 1_555 1_555 C61 H51 C11 30.37(29) 4_565 1_555 4_565 C61 H51 N11 55.28(52) 4_565 1_555 4_565 C61 H51 H21 127.3(12) 4_565 1_555 1_565 C61 H51 H61 118.84(61) 4_565 1_555 1_555 C61 H51 C41 80.54(48) 4_565 1_555 1_555 C61 H51 C61 112.35(59) 4_565 1_555 1_555 C61 H51 H112 65.83(59) 4_565 1_555 4_565 C61 H51 C51 96.82(56) 4_565 1_555 1_555 H122 H51 C61 106.95(65) 3_675 1_555 4_565 H122 H51 C11 55.23(72) 3_675 1_555 1_565 H122 H51 H62 79.16(64) 3_675 1_555 3_665 H122 H51 H61 93.30(68) 3_675 1_555 4_565 H122 H51 N11 46.26(69) 3_675 1_555 1_565 H122 H51 C21 84.49(79) 3_675 1_555 1_565 H122 H51 H111 66.22(83) 3_675 1_555 1_565 H122 H51 H41 159.27(91) 3_675 1_555 1_555 H122 H51 C11 97.92(70) 3_675 1_555 4_565 H122 H51 N11 66.36(55) 3_675 1_555 4_565 H122 H51 H21 103.02(90) 3_675 1_555 1_565 H122 H51 H61 79.56(93) 3_675 1_555 1_555 H122 H51 C41 172.35(80) 3_675 1_555 1_555 H122 H51 C61 105.68(98) 3_675 1_555 1_555 H122 H51 H112 45.02(57) 3_675 1_555 4_565 H122 H51 C51 141.5(10) 3_675 1_555 1_555 H111 H51 H122 65.43(64) 4_565 1_555 3_675 H111 H51 C61 72.17(85) 4_565 1_555 4_565 H111 H51 C11 58.75(35) 4_565 1_555 1_565 H111 H51 H62 114.96(65) 4_565 1_555 3_665 H111 H51 H61 81.55(85) 4_565 1_555 4_565 H111 H51 N11 83.66(44) 4_565 1_555 1_565 H111 H51 C21 60.01(54) 4_565 1_555 1_565 H111 H51 H111 104.02(66) 4_565 1_555 1_565 H111 H51 H41 94.64(87) 4_565 1_555 1_555 H111 H51 C11 44.26(70) 4_565 1_555 4_565 H111 H51 N11 20.21(41) 4_565 1_555 4_565 H111 H51 H21 82.63(71) 4_565 1_555 1_565 H111 H51 H61 144.92(91) 4_565 1_555 1_555 H111 H51 C41 119.51(91) 4_565 1_555 1_555 H111 H51 C61 171.10(97) 4_565 1_555 1_555 H111 H51 H112 35.50(80) 4_565 1_555 4_565 H111 H51 C51 152.7(10) 4_565 1_555 1_555 H111 H51 H111 128.7(12) 4_555 1_555 4_565 H111 H51 H122 130.17(95) 4_555 1_555 3_675 H111 H51 C61 56.62(61) 4_555 1_555 4_565 H111 H51 C11 171.22(80) 4_555 1_555 1_565 H111 H51 H62 51.09(71) 4_555 1_555 3_665 H111 H51 H61 52.66(66) 4_555 1_555 4_565 H111 H51 N11 145.69(99) 4_555 1_555 1_565 H111 H51 C21 145.34(83) 4_555 1_555 1_565 H111 H51 H111 127.28(69) 4_555 1_555 1_565 H111 H51 H41 66.22(45) 4_555 1_555 1_555 H111 H51 C11 84.94(69) 4_555 1_555 4_565 H111 H51 N11 111.41(89) 4_555 1_555 4_565 H111 H51 H21 124.68(66) 4_555 1_555 1_565 H111 H51 H61 72.91(53) 4_555 1_555 1_555 H111 H51 C41 52.50(41) 4_555 1_555 1_555 H111 H51 C61 56.86(54) 4_555 1_555 1_555 H111 H51 H112 114.05(93) 4_555 1_555 4_565 H111 H51 C51 45.30(46) 4_555 1_555 1_555 N12 H51 H111 112.38(83) 3_675 1_555 4_555 N12 H51 H111 67.99(55) 3_675 1_555 4_565 N12 H51 H122 19.60(15) 3_675 1_555 3_675 N12 H51 C61 90.24(59) 3_675 1_555 4_565 N12 H51 C11 73.94(67) 3_675 1_555 1_565 N12 H51 H62 62.62(45) 3_675 1_555 3_665 N12 H51 H61 74.29(65) 3_675 1_555 4_565 N12 H51 N11 65.05(72) 3_675 1_555 1_565 N12 H51 C21 101.90(69) 3_675 1_555 1_565 N12 H51 H111 83.03(86) 3_675 1_555 1_565 N12 H51 H41 157.18(74) 3_675 1_555 1_555 N12 H51 C11 88.60(54) 3_675 1_555 4_565 N12 H51 N11 61.47(48) 3_675 1_555 4_565 N12 H51 H21 122.19(84) 3_675 1_555 1_565 N12 H51 H61 78.35(78) 3_675 1_555 1_555 N12 H51 C41 164.87(76) 3_675 1_555 1_555 N12 H51 C61 103.85(83) 3_675 1_555 1_555 N12 H51 H112 37.38(73) 3_675 1_555 4_565 N12 H51 C51 138.44(89) 3_675 1_555 1_555 C11 H61 C61 35.15(23) 1_555 1_555 1_555 H62 H61 C11 127.8(11) 2_555 1_555 1_555 H62 H61 C61 143.52(79) 2_555 1_555 1_555 C51 H61 H62 135.0(11) 1_555 1_555 2_555 C51 H61 C11 69.44(25) 1_555 1_555 1_555 C51 H61 C61 34.29(36) 1_555 1_555 1_555 H52 H61 C51 151.02(81) 2_555 1_555 1_555 H52 H61 H62 66.60(72) 2_555 1_555 2_555 H52 H61 C11 115.71(99) 2_555 1_555 1_555 H52 H61 C61 143.03(98) 2_555 1_555 1_555 H62 H61 H52 74.06(65) 3_665 1_555 2_555 H62 H61 C51 77.00(62) 3_665 1_555 1_555 H62 H61 H62 125.1(11) 3_665 1_555 2_555 H62 H61 C11 102.91(74) 3_665 1_555 1_555 H62 H61 C61 89.78(71) 3_665 1_555 1_555 H51 H61 H62 69.83(67) 1_555 1_555 3_665 H51 H61 H52 136.42(85) 1_555 1_555 2_555 H51 H61 C51 26.30(16) 1_555 1_555 1_555 H51 H61 H62 117.5(12) 1_555 1_555 2_555 H51 H61 C11 95.74(35) 1_555 1_555 1_555 H51 H61 C61 60.59(49) 1_555 1_555 1_555 H112 H61 H51 148.15(45) 1_555 1_555 1_555 H112 H61 H62 118.19(84) 1_555 1_555 3_665 H112 H61 H52 71.96(91) 1_555 1_555 2_555 H112 H61 C51 122.07(39) 1_555 1_555 1_555 H112 H61 H62 84.3(12) 1_555 1_555 2_555 H112 H61 C11 52.94(28) 1_555 1_555 1_555 H112 H61 C61 87.93(39) 1_555 1_555 1_555 H122 H61 H112 55.41(71) 3_665 1_555 1_555 H122 H61 H51 122.91(80) 3_665 1_555 1_555 H122 H61 H62 62.79(84) 3_665 1_555 3_665 H122 H61 H52 54.41(83) 3_665 1_555 2_555 H122 H61 C51 109.83(85) 3_665 1_555 1_555 H122 H61 H62 115.1(13) 3_665 1_555 2_555 H122 H61 C11 67.26(71) 3_665 1_555 1_555 H122 H61 C61 88.62(82) 3_665 1_555 1_555 H111 H61 H122 171.25(83) 1_565 1_555 3_665 H111 H61 H112 116.10(81) 1_565 1_555 1_555 H111 H61 H51 62.59(85) 1_565 1_555 1_555 H111 H61 H62 125.6(11) 1_565 1_555 3_665 H111 H61 H52 127.60(76) 1_565 1_555 2_555 H111 H61 C51 72.11(85) 1_565 1_555 1_555 H111 H61 H62 63.27(74) 1_565 1_555 2_555 H111 H61 C11 106.44(51) 1_565 1_555 1_555 H111 H61 C61 88.94(75) 1_565 1_555 1_555 C62 H61 H111 76.76(60) 2_555 1_555 1_565 C62 H61 H122 104.97(96) 2_555 1_555 3_665 C62 H61 H112 95.02(94) 2_555 1_555 1_555 C62 H61 H51 114.2(10) 2_555 1_555 1_555 C62 H61 H62 101.46(85) 2_555 1_555 3_665 C62 H61 H52 50.89(45) 2_555 1_555 2_555 C62 H61 C51 139.2(10) 2_555 1_555 1_555 C62 H61 H62 23.71(31) 2_555 1_555 2_555 C62 H61 C11 146.45(97) 2_555 1_555 1_555 C62 H61 C61 165.24(76) 2_555 1_555 1_555 N11 H61 C62 117.79(97) 1_555 1_555 2_555 N11 H61 H111 122.13(58) 1_555 1_555 1_565 N11 H61 H122 49.34(61) 1_555 1_555 3_665 N11 H61 H112 23.07(13) 1_555 1_555 1_555 N11 H61 H51 127.27(37) 1_555 1_555 1_555 N11 H61 H62 106.86(79) 1_555 1_555 3_665 N11 H61 H52 85.95(92) 1_555 1_555 2_555 N11 H61 C51 101.06(30) 1_555 1_555 1_555 N11 H61 H62 106.9(12) 1_555 1_555 2_555 N11 H61 C11 31.92(17) 1_555 1_555 1_555 N11 H61 C61 66.87(31) 1_555 1_555 1_555 H51 H61 N11 55.3(10) 4_465 1_555 1_555 H51 H61 C62 89.52(61) 4_465 1_555 2_555 H51 H61 H111 70.43(65) 4_465 1_555 1_565 H51 H61 H122 100.9(11) 4_465 1_555 3_665 H51 H61 H112 45.94(90) 4_465 1_555 1_555 H51 H61 H51 118.56(54) 4_465 1_555 1_555 H51 H61 H62 162.1(15) 4_465 1_555 3_665 H51 H61 H52 103.18(74) 4_465 1_555 2_555 H51 H61 C51 103.86(51) 4_465 1_555 1_555 H51 H61 H62 67.01(64) 4_465 1_555 2_555 H51 H61 C11 61.82(94) 4_465 1_555 1_555 H51 H61 C61 82.13(69) 4_465 1_555 1_555 C52 H61 H51 106.61(53) 2_555 1_555 4_465 C52 H61 N11 106.78(87) 2_555 1_555 1_555 C52 H61 C62 30.62(24) 2_555 1_555 2_555 C52 H61 H111 106.35(60) 2_555 1_555 1_565 C52 H61 H122 76.86(81) 2_555 1_555 3_665 C52 H61 H112 89.00(85) 2_555 1_555 1_555 C52 H61 H51 122.57(87) 2_555 1_555 1_555 C52 H61 H62 78.01(66) 2_555 1_555 3_665 C52 H61 H52 23.14(23) 2_555 1_555 2_555 C52 H61 C51 146.87(82) 2_555 1_555 1_555 C52 H61 H62 51.36(53) 2_555 1_555 2_555 C52 H61 C11 137.98(93) 2_555 1_555 1_555 C52 H61 C61 164.14(76) 2_555 1_555 1_555 N11 H61 C52 94.18(55) 1_565 1_555 2_555 N11 H61 H51 87.98(70) 1_565 1_555 4_465 N11 H61 N11 141.30(54) 1_565 1_555 1_555 N11 H61 C62 67.99(54) 1_565 1_555 2_555 N11 H61 H111 19.26(13) 1_565 1_555 1_565 N11 H61 H122 168.81(63) 1_565 1_555 3_665 N11 H61 H112 132.12(75) 1_565 1_555 1_555 N11 H61 H51 56.46(73) 1_565 1_555 1_555 N11 H61 H62 109.15(96) 1_565 1_555 3_665 N11 H61 H52 117.17(70) 1_565 1_555 2_555 N11 H61 C51 74.09(70) 1_565 1_555 1_555 N11 H61 H62 62.00(76) 1_565 1_555 2_555 N11 H61 C11 123.51(50) 1_565 1_555 1_555 N11 H61 C61 99.42(70) 1_565 1_555 1_555 C51 H61 N11 67.76(63) 4_465 1_555 1_565 C51 H61 C52 110.68(52) 4_465 1_555 2_555 C51 H61 H51 20.62(12) 4_465 1_555 4_465 C51 H61 N11 74.42(86) 4_465 1_555 1_555 C51 H61 C62 85.68(57) 4_465 1_555 2_555 C51 H61 H111 49.85(59) 4_465 1_555 1_565 C51 H61 H122 121.5(11) 4_465 1_555 3_665 C51 H61 H112 66.52(86) 4_465 1_555 1_555 C51 H61 H51 101.87(55) 4_465 1_555 1_555 C51 H61 H62 170.69(71) 4_465 1_555 3_665 C51 H61 H52 115.24(69) 4_465 1_555 2_555 C51 H61 C51 93.69(35) 4_465 1_555 1_555 C51 H61 H62 61.99(59) 4_465 1_555 2_555 C51 H61 C11 73.12(74) 4_465 1_555 1_555 C51 H61 C61 82.24(44) 4_465 1_555 1_555 H121 H61 C51 127.0(12) 3_675 1_555 4_465 H121 H61 N11 67.33(77) 3_675 1_555 1_565 H121 H61 C52 47.79(62) 3_675 1_555 2_555 H121 H61 H51 139.4(11) 3_675 1_555 4_465 H121 H61 N11 148.84(80) 3_675 1_555 1_555 H121 H61 C62 52.11(61) 3_675 1_555 2_555 H121 H61 H111 86.37(81) 3_675 1_555 1_565 H121 H61 H122 101.51(90) 3_675 1_555 3_665 H121 H61 H112 136.43(76) 3_675 1_555 1_555 H121 H61 H51 74.80(71) 3_675 1_555 1_555 H121 H61 H62 56.08(66) 3_675 1_555 3_665 H121 H61 H52 65.02(80) 3_675 1_555 2_555 H121 H61 C51 99.68(72) 3_675 1_555 1_555 H121 H61 H62 72.94(84) 3_675 1_555 2_555 H121 H61 C11 158.73(85) 3_675 1_555 1_555 H121 H61 C61 131.61(85) 3_675 1_555 1_555 C62 H61 H121 52.73(59) 3_665 1_555 3_675 C62 H61 C51 174.74(63) 3_665 1_555 4_465 C62 H61 N11 114.73(68) 3_665 1_555 1_565 C62 H61 C52 64.95(46) 3_665 1_555 2_555 C62 H61 H51 155.6(11) 3_665 1_555 4_465 C62 H61 N11 103.65(58) 3_665 1_555 1_555 C62 H61 C62 91.03(62) 3_665 1_555 2_555 C62 H61 H111 133.22(77) 3_665 1_555 1_565 C62 H61 H122 55.53(56) 3_665 1_555 3_665 C62 H61 H112 109.78(68) 3_665 1_555 1_555 C62 H61 H51 83.21(51) 3_665 1_555 1_555 C62 H61 H62 14.50(25) 3_665 1_555 3_665 C62 H61 H52 59.57(51) 3_665 1_555 2_555 C62 H61 C51 91.48(50) 3_665 1_555 1_555 C62 H61 H62 114.58(85) 3_665 1_555 2_555 C62 H61 C11 107.93(54) 3_665 1_555 1_555 C62 H61 C61 101.60(53) 3_665 1_555 1_555 H121 N12 H122 108.62(84) 1_555 1_555 1_555 C12 N12 H121 115.66(34) 1_555 1_555 1_555 C12 N12 H122 115.66(34) 1_555 1_555 1_555 H112 N12 C12 102.7(10) 2_554 1_555 1_555 H112 N12 H121 130.4(12) 2_554 1_555 1_555 H112 N12 H122 79.0(13) 2_554 1_555 1_555 C62 N12 H112 81.3(11) 1_555 1_555 2_554 C62 N12 C12 29.58(20) 1_555 1_555 1_555 C62 N12 H121 144.21(40) 1_555 1_555 1_555 C62 N12 H122 91.77(41) 1_555 1_555 1_555 C22 N12 C62 58.93(40) 1_555 1_555 1_555 C22 N12 H112 118.1(10) 1_555 1_555 2_554 C22 N12 C12 29.58(20) 1_555 1_555 1_555 C22 N12 H121 87.97(40) 1_555 1_555 1_555 C22 N12 H122 139.89(43) 1_555 1_555 1_555 H52 N12 C22 64.38(61) 1_565 1_555 1_555 H52 N12 C62 96.20(51) 1_565 1_555 1_555 H52 N12 H112 76.6(11) 1_565 1_555 2_554 H52 N12 C12 81.56(59) 1_565 1_555 1_555 H52 N12 H121 79.11(84) 1_565 1_555 1_555 H52 N12 H122 152.80(84) 1_565 1_555 1_555 H52 N12 H52 151.79(85) 4_555 1_555 1_565 H52 N12 C22 87.42(47) 4_555 1_555 1_555 H52 N12 C62 66.47(50) 4_555 1_555 1_555 H52 N12 H112 119.6(16) 4_555 1_555 2_554 H52 N12 C12 72.65(46) 4_555 1_555 1_555 H52 N12 H121 101.67(91) 4_555 1_555 1_555 H52 N12 H122 54.09(76) 4_555 1_555 1_555 H62 N12 H52 62.72(61) 1_555 1_555 4_555 H62 N12 H52 110.21(52) 1_555 1_555 1_565 H62 N12 C22 82.85(39) 1_555 1_555 1_555 H62 N12 C62 23.95(12) 1_555 1_555 1_555 H62 N12 H112 67.4(12) 1_555 1_555 2_554 H62 N12 C12 53.38(21) 1_555 1_555 1_555 H62 N12 H121 162.10(54) 1_555 1_555 1_555 H62 N12 H122 70.39(47) 1_555 1_555 1_555 H22 N12 H62 106.75(42) 1_555 1_555 1_555 H22 N12 H52 96.86(57) 1_555 1_555 4_555 H22 N12 H52 57.58(60) 1_555 1_555 1_565 H22 N12 C22 23.95(12) 1_555 1_555 1_555 H22 N12 C62 82.85(39) 1_555 1_555 1_555 H22 N12 H112 129.2(11) 1_555 1_555 2_554 H22 N12 C12 53.38(21) 1_555 1_555 1_555 H22 N12 H121 64.54(42) 1_555 1_555 1_555 H22 N12 H122 149.53(60) 1_555 1_555 1_555 N11 N12 H22 124.59(65) 2_554 1_555 1_555 N11 N12 H62 59.56(67) 2_554 1_555 1_555 N11 N12 H52 115.6(12) 2_554 1_555 4_555 N11 N12 H52 76.58(73) 2_554 1_555 1_565 N11 N12 C22 110.66(61) 2_554 1_555 1_555 N11 N12 C62 72.20(62) 2_554 1_555 1_555 N11 N12 H112 9.20(55) 2_554 1_555 2_554 N11 N12 C12 93.61(59) 2_554 1_555 1_555 N11 N12 H121 138.34(87) 2_554 1_555 1_555 N11 N12 H122 81.24(96) 2_554 1_555 1_555 H62 N12 N11 81.38(74) 1_565 1_555 2_554 H62 N12 H22 90.94(58) 1_565 1_555 1_555 H62 N12 H62 140.66(56) 1_565 1_555 1_555 H62 N12 H52 151.10(65) 1_565 1_555 4_555 H62 N12 H52 50.88(40) 1_565 1_555 1_565 H62 N12 C22 109.13(66) 1_565 1_555 1_555 H62 N12 C62 142.34(71) 1_565 1_555 1_555 H62 N12 H112 74.1(12) 1_565 1_555 2_554 H62 N12 C12 132.16(77) 1_565 1_555 1_555 H62 N12 H121 57.08(82) 1_565 1_555 1_555 H62 N12 H122 110.51(81) 1_565 1_555 1_555 H51 N12 H62 52.43(47) 3_674 1_555 1_565 H51 N12 N11 48.75(77) 3_674 1_555 2_554 H51 N12 H22 141.85(89) 3_674 1_555 1_555 H51 N12 H62 98.58(76) 3_674 1_555 1_555 H51 N12 H52 120.2(10) 3_674 1_555 4_555 H51 N12 H52 87.26(70) 3_674 1_555 1_565 H51 N12 C22 149.79(85) 3_674 1_555 1_555 H51 N12 C62 118.27(73) 3_674 1_555 1_555 H51 N12 H112 39.7(12) 3_674 1_555 2_554 H51 N12 C12 142.34(72) 3_674 1_555 1_555 H51 N12 H121 97.08(82) 3_674 1_555 1_555 H51 N12 H122 66.2(11) 3_674 1_555 1_555 C52 N12 H51 88.42(64) 1_565 1_555 3_674 C52 N12 H62 41.16(28) 1_565 1_555 1_565 C52 N12 N11 91.46(79) 1_565 1_555 2_554 C52 N12 H22 53.48(46) 1_565 1_555 1_555 C52 N12 H62 128.61(58) 1_565 1_555 1_555 C52 N12 H52 149.09(87) 1_565 1_555 4_555 C52 N12 H52 18.84(15) 1_565 1_555 1_565 C52 N12 C22 68.24(50) 1_565 1_555 1_555 C52 N12 C62 112.11(56) 1_565 1_555 1_555 C52 N12 H112 89.5(12) 1_565 1_555 2_554 C52 N12 C12 91.98(54) 1_565 1_555 1_555 C52 N12 H121 60.34(87) 1_565 1_555 1_555 C52 N12 H122 151.67(64) 1_565 1_555 1_555 N11 N12 C52 131.49(67) 3_664 1_555 1_565 N11 N12 H51 50.25(67) 3_664 1_555 3_674 N11 N12 H62 90.35(62) 3_664 1_555 1_565 N11 N12 N11 79.48(68) 3_664 1_555 2_554 N11 N12 H22 155.79(72) 3_664 1_555 1_555 N11 N12 H62 87.09(85) 3_664 1_555 1_555 N11 N12 H52 71.48(94) 3_664 1_555 4_555 N11 N12 H52 136.72(85) 3_664 1_555 1_565 N11 N12 C22 158.89(96) 3_664 1_555 1_555 N11 N12 C62 110.05(87) 3_664 1_555 1_555 N11 N12 H112 74.2(10) 3_664 1_555 2_554 N11 N12 C12 135.75(93) 3_664 1_555 1_555 N11 N12 H121 96.35(86) 3_664 1_555 1_555 N11 N12 H122 20.3(10) 3_664 1_555 1_555 H122 N12 N11 120.49(51) 4_465 1_555 3_664 H122 N12 C52 62.00(98) 4_465 1_555 1_565 H122 N12 H51 79.30(76) 4_465 1_555 3_674 H122 N12 H62 78.4(12) 4_465 1_555 1_565 H122 N12 N11 41.23(52) 4_465 1_555 2_554 H122 N12 H22 83.40(47) 4_465 1_555 1_555 H122 N12 H62 69.45(79) 4_465 1_555 1_555 H122 N12 H52 130.1(13) 4_465 1_555 4_555 H122 N12 H52 43.36(85) 4_465 1_555 1_565 H122 N12 C22 72.96(46) 4_465 1_555 1_555 H122 N12 C62 64.04(77) 4_465 1_555 1_555 H122 N12 H112 46.4(10) 4_465 1_555 2_554 H122 N12 C12 67.91(66) 4_465 1_555 1_555 H122 N12 H121 122.30(97) 4_465 1_555 1_555 H122 N12 H122 121.05(93) 4_465 1_555 1_555 C62 C12 C22 117.94(52) 1_555 1_555 1_555 N12 C12 C62 120.68(26) 1_555 1_555 1_555 N12 C12 C22 120.68(26) 1_555 1_555 1_555 H122 C12 N12 26.78(15) 1_555 1_555 1_555 H122 C12 C62 98.88(33) 1_555 1_555 1_555 H122 C12 C22 142.53(37) 1_555 1_555 1_555 H121 C12 H122 47.91(35) 1_555 1_555 1_555 H121 C12 N12 26.78(15) 1_555 1_555 1_555 H121 C12 C62 146.51(32) 1_555 1_555 1_555 H121 C12 C22 95.54(31) 1_555 1_555 1_555 H62 C12 H121 120.24(35) 1_555 1_555 1_555 H62 C12 H122 72.81(36) 1_555 1_555 1_555 H62 C12 N12 94.71(29) 1_555 1_555 1_555 H62 C12 C62 26.28(19) 1_555 1_555 1_555 H62 C12 C22 144.22(52) 1_555 1_555 1_555 H22 C12 H62 170.49(58) 1_555 1_555 1_555 H22 C12 H121 69.27(34) 1_555 1_555 1_555 H22 C12 H122 116.61(38) 1_555 1_555 1_555 H22 C12 N12 94.71(29) 1_555 1_555 1_555 H22 C12 C62 144.22(52) 1_555 1_555 1_555 H22 C12 C22 26.28(19) 1_555 1_555 1_555 C32 C12 H22 55.61(25) 1_555 1_555 1_555 C32 C12 H62 114.88(35) 1_555 1_555 1_555 C32 C12 H121 124.88(20) 1_555 1_555 1_555 C32 C12 H122 169.65(41) 1_555 1_555 1_555 C32 C12 N12 149.36(11) 1_555 1_555 1_555 C32 C12 C62 88.60(32) 1_555 1_555 1_555 C32 C12 C22 29.34(21) 1_555 1_555 1_555 C52 C12 C32 59.27(18) 1_555 1_555 1_555 C52 C12 H22 114.88(35) 1_555 1_555 1_555 C52 C12 H62 55.61(25) 1_555 1_555 1_555 C52 C12 H121 175.84(22) 1_555 1_555 1_555 C52 C12 H122 127.94(22) 1_555 1_555 1_555 C52 C12 N12 149.36(11) 1_555 1_555 1_555 C52 C12 C62 29.34(21) 1_555 1_555 1_555 C52 C12 C22 88.60(32) 1_555 1_555 1_555 H52 C12 C52 97.84(81) 4_555 1_555 1_555 H52 C12 C32 119.89(53) 4_555 1_555 1_555 H52 C12 H22 113.27(68) 4_555 1_555 1_555 H52 C12 H62 70.45(74) 4_555 1_555 1_555 H52 C12 H121 79.81(92) 4_555 1_555 1_555 H52 C12 H122 54.69(70) 4_555 1_555 1_555 H52 C12 N12 76.12(74) 4_555 1_555 1_555 H52 C12 C62 82.79(82) 4_555 1_555 1_555 H52 C12 C22 120.12(52) 4_555 1_555 1_555 H112 C12 H52 98.80(72) 2_554 1_555 4_555 H112 C12 C52 107.64(90) 2_554 1_555 1_555 H112 C12 C32 139.69(80) 2_554 1_555 1_555 H112 C12 H22 120.93(96) 2_554 1_555 1_555 H112 C12 H62 65.65(95) 2_554 1_555 1_555 H112 C12 H121 69.53(88) 2_554 1_555 1_555 H112 C12 H122 48.84(83) 2_554 1_555 1_555 H112 C12 N12 45.77(83) 2_554 1_555 1_555 H112 C12 C62 85.28(94) 2_554 1_555 1_555 H112 C12 C22 135.58(89) 2_554 1_555 1_555 H52 C12 H112 63.40(71) 1_565 1_555 2_554 H52 C12 H52 141.87(57) 1_565 1_555 4_555 H52 C12 C52 119.23(67) 1_565 1_555 1_555 H52 C12 C32 88.92(72) 1_565 1_555 1_555 H52 C12 H22 60.74(54) 1_565 1_555 1_555 H52 C12 H62 122.24(51) 1_565 1_555 1_555 H52 C12 H121 62.62(82) 1_565 1_555 1_555 H52 C12 H122 92.50(80) 1_565 1_555 1_555 H52 C12 N12 67.48(78) 1_565 1_555 1_555 H52 C12 C62 125.36(53) 1_565 1_555 1_555 H52 C12 C22 72.52(65) 1_565 1_555 1_555 H121 C12 H52 66.6(11) 4_465 1_555 1_565 H121 C12 H112 79.52(87) 4_465 1_555 2_554 H121 C12 H52 147.1(13) 4_465 1_555 4_555 H121 C12 C52 53.02(68) 4_465 1_555 1_555 H121 C12 C32 62.09(51) 4_465 1_555 1_555 H121 C12 H22 94.80(50) 4_465 1_555 1_555 H121 C12 H62 79.31(54) 4_465 1_555 1_555 H121 C12 H121 128.17(77) 4_465 1_555 1_555 H121 C12 H122 127.69(71) 4_465 1_555 1_555 H121 C12 N12 119.92(70) 4_465 1_555 1_555 H121 C12 C62 64.35(62) 4_465 1_555 1_555 H121 C12 C22 78.38(47) 4_465 1_555 1_555 C42 C12 H121 52.03(64) 1_555 1_555 4_465 C42 C12 H52 105.67(74) 1_555 1_555 1_565 C42 C12 H112 127.80(84) 1_555 1_555 2_554 C42 C12 H52 111.41(70) 1_555 1_555 4_555 C42 C12 C52 29.633(90) 1_555 1_555 1_555 C42 C12 C32 29.633(90) 1_555 1_555 1_555 C42 C12 H22 85.25(29) 1_555 1_555 1_555 C42 C12 H62 85.25(29) 1_555 1_555 1_555 C42 C12 H121 154.51(18) 1_555 1_555 1_555 C42 C12 H122 156.86(19) 1_555 1_555 1_555 C42 C12 N12 171.84(29) 1_555 1_555 1_555 C42 C12 C62 58.97(26) 1_555 1_555 1_555 C42 C12 C22 58.97(26) 1_555 1_555 1_555 H122 C12 C42 86.05(57) 4_465 1_555 1_555 H122 C12 H121 34.03(21) 4_465 1_555 4_465 H122 C12 H52 45.35(96) 4_465 1_555 1_565 H122 C12 H112 48.64(78) 4_465 1_555 2_554 H122 C12 H52 144.12(53) 4_465 1_555 4_555 H122 C12 C52 82.06(78) 4_465 1_555 1_555 H122 C12 C32 91.06(36) 4_465 1_555 1_555 H122 C12 H22 98.75(66) 4_465 1_555 1_555 H122 C12 H62 80.59(73) 4_465 1_555 1_555 H122 C12 H121 97.81(82) 4_465 1_555 1_555 H122 C12 H122 97.23(60) 4_465 1_555 1_555 H122 C12 N12 85.89(61) 4_465 1_555 1_555 H122 C12 C62 80.14(83) 4_465 1_555 1_555 H122 C12 C22 95.75(45) 4_465 1_555 1_555 H42 C12 H122 153.42(69) 4_555 1_555 4_465 H42 C12 C42 67.38(24) 4_555 1_555 1_555 H42 C12 H121 119.39(73) 4_555 1_555 4_465 H42 C12 H52 141.15(70) 4_555 1_555 1_565 H42 C12 H112 151.87(94) 4_555 1_555 2_554 H42 C12 H52 53.71(45) 4_555 1_555 4_555 H42 C12 C52 74.48(38) 4_555 1_555 1_555 H42 C12 C32 66.36(28) 4_555 1_555 1_555 H42 C12 H22 80.43(51) 4_555 1_555 1_555 H42 C12 H62 95.88(53) 4_555 1_555 1_555 H42 C12 H121 106.49(55) 4_555 1_555 1_555 H42 C12 H122 106.93(50) 4_555 1_555 1_555 H42 C12 N12 120.69(38) 4_555 1_555 1_555 H42 C12 C62 85.25(50) 4_555 1_555 1_555 H42 C12 C22 71.71(43) 4_555 1_555 1_555 C52 C12 H42 40.56(32) 4_555 1_555 4_555 C52 C12 H122 148.50(95) 4_555 1_555 4_465 C52 C12 C42 94.52(53) 4_555 1_555 1_555 C52 C12 H121 135.4(12) 4_555 1_555 4_465 C52 C12 H52 157.63(44) 4_555 1_555 1_565 C52 C12 H112 111.31(74) 4_555 1_555 2_554 C52 C12 H52 16.91(20) 4_555 1_555 4_555 C52 C12 C52 83.12(61) 4_555 1_555 1_555 C52 C12 C32 104.87(41) 4_555 1_555 1_555 C52 C12 H22 112.70(47) 4_555 1_555 1_555 C52 C12 H62 68.11(52) 4_555 1_555 1_555 C52 C12 H121 95.02(76) 4_555 1_555 1_555 C52 C12 H122 70.84(59) 4_555 1_555 1_555 C52 C12 N12 93.03(58) 4_555 1_555 1_555 C52 C12 C62 73.40(61) 4_555 1_555 1_555 C52 C12 C22 111.52(37) 4_555 1_555 1_555 C12 C22 H22 118.57(34) 1_555 1_555 1_555 C32 C22 C12 121.36(52) 1_555 1_555 1_555 C32 C22 H22 120.07(62) 1_555 1_555 1_555 H32 C22 C32 26.92(15) 1_555 1_555 1_555 H32 C22 C12 148.27(55) 1_555 1_555 1_555 H32 C22 H22 93.15(65) 1_555 1_555 1_555 C62 C22 H32 117.25(37) 1_555 1_555 1_555 C62 C22 C32 90.33(33) 1_555 1_555 1_555 C62 C22 C12 31.03(26) 1_555 1_555 1_555 C62 C22 H22 149.60(43) 1_555 1_555 1_555 N12 C22 C62 60.54(20) 1_555 1_555 1_555 N12 C22 H32 174.76(28) 1_555 1_555 1_555 N12 C22 C32 150.41(51) 1_555 1_555 1_555 N12 C22 C12 29.74(15) 1_555 1_555 1_555 N12 C22 H22 89.18(37) 1_555 1_555 1_555 C42 C22 N12 120.95(40) 1_555 1_555 1_555 C42 C22 C62 60.64(22) 1_555 1_555 1_555 C42 C22 H32 56.61(23) 1_555 1_555 1_555 C42 C22 C32 29.69(16) 1_555 1_555 1_555 C42 C22 C12 91.67(41) 1_555 1_555 1_555 C42 C22 H22 149.76(53) 1_555 1_555 1_555 H121 C22 C42 143.95(44) 1_555 1_555 1_555 H121 C22 N12 23.40(11) 1_555 1_555 1_555 H121 C22 C62 83.32(24) 1_555 1_555 1_555 H121 C22 H32 159.43(57) 1_555 1_555 1_555 H121 C22 C32 173.64(55) 1_555 1_555 1_555 H121 C22 C12 52.29(23) 1_555 1_555 1_555 H121 C22 H22 66.29(41) 1_555 1_555 1_555 H52 C22 H121 57.79(89) 1_565 1_555 1_555 H52 C22 C42 120.87(63) 1_565 1_555 1_555 H52 C22 N12 59.39(80) 1_565 1_555 1_555 H52 C22 C62 94.06(51) 1_565 1_555 1_555 H52 C22 H32 117.10(80) 1_565 1_555 1_555 H52 C22 C32 123.26(78) 1_565 1_555 1_555 H52 C22 C12 77.16(67) 1_565 1_555 1_555 H52 C22 H22 70.19(46) 1_565 1_555 1_555 C52 C22 H52 109.72(49) 1_555 1_555 1_565 C52 C22 H121 113.52(35) 1_555 1_555 1_555 C52 C22 C42 30.43(11) 1_555 1_555 1_555 C52 C22 N12 90.63(31) 1_555 1_555 1_555 C52 C22 C62 30.21(14) 1_555 1_555 1_555 C52 C22 H32 87.04(30) 1_555 1_555 1_555 C52 C22 C32 60.12(25) 1_555 1_555 1_555 C52 C22 C12 61.23(33) 1_555 1_555 1_555 C52 C22 H22 179.81(48) 1_555 1_555 1_555 H121 C22 C52 49.36(59) 4_465 1_555 1_555 H121 C22 H52 66.35(97) 4_465 1_555 1_565 H121 C22 H121 106.62(67) 4_465 1_555 1_555 H121 C22 C42 54.96(69) 4_465 1_555 1_555 H121 C22 N12 88.26(59) 4_465 1_555 1_555 H121 C22 C62 56.60(44) 4_465 1_555 1_555 H121 C22 H32 86.66(57) 4_465 1_555 1_555 H121 C22 C32 69.77(65) 4_465 1_555 1_555 H121 C22 C12 73.03(49) 4_465 1_555 1_555 H121 C22 H22 130.65(59) 4_465 1_555 1_555 H42 C22 H121 121.01(96) 4_555 1_555 4_465 H42 C22 C52 71.66(46) 4_555 1_555 1_555 H42 C22 H52 153.08(93) 4_555 1_555 1_565 H42 C22 H121 96.36(51) 4_555 1_555 1_555 H42 C22 C42 74.60(38) 4_555 1_555 1_555 H42 C22 N12 94.00(44) 4_555 1_555 1_555 H42 C22 C62 73.87(50) 4_555 1_555 1_555 H42 C22 H32 89.73(36) 4_555 1_555 1_555 H42 C22 C32 81.56(34) 4_555 1_555 1_555 H42 C22 C12 80.70(47) 4_555 1_555 1_555 H42 C22 H22 108.34(46) 4_555 1_555 1_555 H31 C22 H42 100.50(55) 4_465 1_555 4_555 H31 C22 H121 135.35(92) 4_465 1_555 4_465 H31 C22 C52 162.54(55) 4_465 1_555 1_555 H31 C22 H52 84.47(42) 4_465 1_555 1_565 H31 C22 H121 82.40(62) 4_465 1_555 1_555 H31 C22 C42 133.23(67) 4_465 1_555 1_555 H31 C22 N12 105.70(61) 4_465 1_555 1_555 H31 C22 C62 163.95(73) 4_465 1_555 1_555 H31 C22 H32 77.18(77) 4_465 1_555 1_555 H31 C22 C32 103.87(74) 4_465 1_555 1_555 H31 C22 C12 134.19(70) 4_465 1_555 1_555 H31 C22 H22 17.63(65) 4_465 1_555 1_555 H41 C22 H31 49.61(31) 4_465 1_555 4_465 H41 C22 H42 56.92(36) 4_465 1_555 4_555 H41 C22 H121 144.54(53) 4_465 1_555 4_465 H41 C22 C52 115.37(45) 4_465 1_555 1_555 H41 C22 H52 134.07(54) 4_465 1_555 1_565 H41 C22 H121 108.77(52) 4_465 1_555 1_555 H41 C22 C42 95.47(43) 4_465 1_555 1_555 H41 C22 N12 126.42(51) 4_465 1_555 1_555 H41 C22 C62 129.98(53) 4_465 1_555 1_555 H41 C22 H32 58.79(53) 4_465 1_555 1_555 H41 C22 C32 75.18(48) 4_465 1_555 1_555 H41 C22 C12 132.88(55) 4_465 1_555 1_555 H41 C22 H22 64.75(55) 4_465 1_555 1_555 C52 C22 H41 115.25(49) 1_565 1_555 4_465 C52 C22 H31 65.66(39) 1_565 1_555 4_465 C52 C22 H42 148.93(64) 1_565 1_555 4_555 C52 C22 H121 83.38(88) 1_565 1_555 4_465 C52 C22 C52 128.64(48) 1_565 1_555 1_555 C52 C22 H52 18.965(86) 1_565 1_555 1_565 C52 C22 H121 55.64(75) 1_565 1_555 1_555 C52 C22 C42 135.59(58) 1_565 1_555 1_555 C52 C22 N12 65.78(63) 1_565 1_555 1_555 C52 C22 C62 111.41(49) 1_565 1_555 1_555 C52 C22 H32 112.27(73) 1_565 1_555 1_555 C52 C22 C32 127.75(71) 1_565 1_555 1_555 C52 C22 C12 89.78(57) 1_565 1_555 1_555 C52 C22 H22 51.27(46) 1_565 1_555 1_555 H42 C22 C52 39.82(22) 1_565 1_555 1_565 H42 C22 H41 91.99(55) 1_565 1_555 4_465 H42 C22 H31 51.38(50) 1_565 1_555 4_465 H42 C22 H42 148.90(65) 1_565 1_555 4_555 H42 C22 H121 84.15(64) 1_565 1_555 4_465 H42 C22 C52 130.59(50) 1_565 1_555 1_555 H42 C22 H52 50.08(38) 1_565 1_555 1_565 H42 C22 H121 92.80(61) 1_565 1_555 1_555 H42 C22 C42 113.10(55) 1_565 1_555 1_555 H42 C22 N12 105.60(52) 1_565 1_555 1_555 H42 C22 C62 136.88(45) 1_565 1_555 1_555 H42 C22 H32 72.60(59) 1_565 1_555 1_555 H42 C22 C32 92.02(59) 1_565 1_555 1_555 H42 C22 C12 127.24(48) 1_565 1_555 1_555 H42 C22 H22 49.49(55) 1_565 1_555 1_555 C22 C32 H32 116.97(33) 1_555 1_555 1_555 C42 C32 C22 120.86(29) 1_555 1_555 1_555 C42 C32 H32 122.17(44) 1_555 1_555 1_555 H22 C32 C42 146.50(23) 1_555 1_555 1_555 H22 C32 C22 25.64(27) 1_555 1_555 1_555 H22 C32 H32 91.33(43) 1_555 1_555 1_555 H42 C32 H22 171.56(24) 1_555 1_555 1_555 H42 C32 C42 25.066(89) 1_555 1_555 1_555 H42 C32 C22 145.92(31) 1_555 1_555 1_555 H42 C32 H32 97.11(45) 1_555 1_555 1_555 C52 C32 H42 56.25(11) 1_555 1_555 1_555 C52 C32 H22 115.31(23) 1_555 1_555 1_555 C52 C32 C42 31.18(16) 1_555 1_555 1_555 C52 C32 C22 89.67(33) 1_555 1_555 1_555 C52 C32 H32 153.36(47) 1_555 1_555 1_555 C12 C32 C52 60.367(90) 1_555 1_555 1_555 C12 C32 H42 116.62(16) 1_555 1_555 1_555 C12 C32 H22 54.95(23) 1_555 1_555 1_555 C12 C32 C42 91.55(18) 1_555 1_555 1_555 C12 C32 C22 29.31(35) 1_555 1_555 1_555 C12 C32 H32 146.27(48) 1_555 1_555 1_555 H21 C32 C12 149.69(64) 4_455 1_555 1_555 H21 C32 C52 118.80(50) 4_455 1_555 1_555 H21 C32 H42 70.72(58) 4_455 1_555 1_555 H21 C32 H22 116.36(63) 4_455 1_555 1_555 H21 C32 C42 92.28(56) 4_455 1_555 1_555 H21 C32 C22 136.21(70) 4_455 1_555 1_555 H21 C32 H32 41.14(61) 4_455 1_555 1_555 H121 C32 H21 141.91(82) 4_465 1_555 4_455 H121 C32 C12 65.39(56) 4_465 1_555 1_555 H121 C32 C52 54.34(53) 4_465 1_555 1_555 H121 C32 H42 78.39(77) 4_465 1_555 1_555 H121 C32 H22 96.65(77) 4_465 1_555 1_555 H121 C32 C42 65.02(72) 4_465 1_555 1_555 H121 C32 C22 81.32(72) 4_465 1_555 1_555 H121 C32 H32 125.96(39) 4_465 1_555 1_555 H31 C32 H121 84.63(62) 1_455 1_555 4_465 H31 C32 H21 58.74(55) 1_455 1_555 4_455 H31 C32 C12 149.95(44) 1_455 1_555 1_555 H31 C32 C52 101.15(46) 1_455 1_555 1_555 H31 C32 H42 51.02(51) 1_455 1_555 1_555 H31 C32 H22 135.89(56) 1_455 1_555 1_555 H31 C32 C42 72.95(50) 1_455 1_555 1_555 H31 C32 C22 152.48(54) 1_455 1_555 1_555 H31 C32 H32 55.24(64) 1_455 1_555 1_555 C62 C32 H31 127.79(47) 1_555 1_555 1_455 C62 C32 H121 54.69(40) 1_555 1_555 4_465 C62 C32 H21 141.09(52) 1_555 1_555 4_455 C62 C32 C12 30.16(13) 1_555 1_555 1_555 C62 C32 C52 30.21(14) 1_555 1_555 1_555 C62 C32 H42 86.46(23) 1_555 1_555 1_555 C62 C32 H22 85.11(33) 1_555 1_555 1_555 C62 C32 C42 61.39(26) 1_555 1_555 1_555 C62 C32 C22 59.47(45) 1_555 1_555 1_555 C62 C32 H32 176.44(56) 1_555 1_555 1_555 H22 C32 C62 105.90(47) 4_465 1_555 1_555 H22 C32 H31 41.55(49) 4_465 1_555 1_455 H22 C32 H121 51.51(38) 4_465 1_555 4_465 H22 C32 H21 97.83(55) 4_465 1_555 4_455 H22 C32 C12 112.49(45) 4_465 1_555 1_555 H22 C32 C52 95.22(50) 4_465 1_555 1_555 H22 C32 H42 74.20(50) 4_465 1_555 1_555 H22 C32 H22 108.18(49) 4_465 1_555 1_555 H22 C32 C42 82.93(51) 4_465 1_555 1_555 H22 C32 C22 112.88(46) 4_465 1_555 1_555 H22 C32 H32 75.20(51) 4_465 1_555 1_555 H31 C32 H22 131.96(64) 4_455 1_555 4_465 H31 C32 C62 89.83(48) 4_455 1_555 1_555 H31 C32 H31 93.09(53) 4_455 1_555 1_455 H31 C32 H121 128.42(81) 4_455 1_555 4_465 H31 C32 H21 51.78(39) 4_455 1_555 4_455 H31 C32 C12 103.72(47) 4_455 1_555 1_555 H31 C32 C52 75.96(43) 4_455 1_555 1_555 H31 C32 H42 61.56(42) 4_455 1_555 1_555 H31 C32 H22 118.36(42) 4_455 1_555 1_555 H31 C32 C42 65.15(40) 4_455 1_555 1_555 H31 C32 C22 114.17(45) 4_455 1_555 1_555 H31 C32 H32 91.87(44) 4_455 1_555 1_555 H42 C32 H31 43.21(45) 4_555 1_555 4_455 H42 C32 H22 169.19(78) 4_555 1_555 4_465 H42 C32 C62 66.73(40) 4_555 1_555 1_555 H42 C32 H31 136.23(67) 4_555 1_555 1_455 H42 C32 H121 121.37(40) 4_555 1_555 4_465 H42 C32 H21 84.75(57) 4_555 1_555 4_455 H42 C32 C12 65.49(40) 4_555 1_555 1_555 H42 C32 C52 74.45(45) 4_555 1_555 1_555 H42 C32 H42 96.95(49) 4_555 1_555 1_555 H42 C32 H22 79.70(48) 4_555 1_555 1_555 H42 C32 C42 86.49(49) 4_555 1_555 1_555 H42 C32 C22 70.96(45) 4_555 1_555 1_555 H42 C32 H32 112.66(42) 4_555 1_555 1_555 H41 C32 H42 56.10(32) 4_465 1_555 4_555 H41 C32 H31 66.23(37) 4_465 1_555 4_455 H41 C32 H22 133.86(55) 4_465 1_555 4_465 H41 C32 C62 117.21(53) 4_465 1_555 1_555 H41 C32 H31 111.43(51) 4_465 1_555 1_455 H41 C32 H121 159.01(85) 4_465 1_555 4_465 H41 C32 H21 57.84(62) 4_465 1_555 4_455 H41 C32 C12 98.20(49) 4_465 1_555 1_555 H41 C32 C52 130.42(54) 4_465 1_555 1_555 H41 C32 H42 122.04(46) 4_465 1_555 1_555 H41 C32 H22 62.46(47) 4_465 1_555 1_555 H41 C32 C42 131.35(49) 4_465 1_555 1_555 H41 C32 C22 78.40(52) 4_465 1_555 1_555 H41 C32 H32 60.81(60) 4_465 1_555 1_555 H41 C32 H41 78.07(31) 1_455 1_555 4_465 H41 C32 H42 133.33(37) 1_455 1_555 4_555 H41 C32 H31 113.27(56) 1_455 1_555 4_455 H41 C32 H22 55.90(45) 1_455 1_555 4_465 H41 C32 C62 156.53(46) 1_455 1_555 1_555 H41 C32 H31 50.48(31) 1_455 1_555 1_455 H41 C32 H121 104.46(45) 1_455 1_555 4_465 H41 C32 H21 61.54(52) 1_455 1_555 4_455 H41 C32 C12 136.81(53) 1_455 1_555 1_555 H41 C32 C52 148.95(53) 1_455 1_555 1_555 H41 C32 H42 100.59(56) 1_455 1_555 1_555 H41 C32 H22 87.22(60) 1_455 1_555 1_555 H41 C32 C42 123.43(58) 1_455 1_555 1_555 H41 C32 C22 110.88(63) 1_455 1_555 1_555 H41 C32 H32 22.57(47) 1_455 1_555 1_555 C52 C42 H42 121.18(16) 1_555 1_555 1_555 C32 C42 C52 117.63(31) 1_555 1_555 1_555 C32 C42 H42 121.18(16) 1_555 1_555 1_555 H32 C42 C32 24.66(19) 1_555 1_555 1_555 H32 C42 C52 142.29(37) 1_555 1_555 1_555 H32 C42 H42 96.53(25) 1_555 1_555 1_555 H52 C42 H32 166.95(50) 1_555 1_555 1_555 H52 C42 C32 142.29(37) 1_555 1_555 1_555 H52 C42 C52 24.66(19) 1_555 1_555 1_555 H52 C42 H42 96.53(25) 1_555 1_555 1_555 C62 C42 H52 54.11(17) 1_555 1_555 1_555 C62 C42 H32 112.84(44) 1_555 1_555 1_555 C62 C42 C32 88.18(35) 1_555 1_555 1_555 C62 C42 C52 29.45(16) 1_555 1_555 1_555 C62 C42 H42 150.64(22) 1_555 1_555 1_555 C22 C42 C62 58.72(44) 1_555 1_555 1_555 C22 C42 H52 112.84(44) 1_555 1_555 1_555 C22 C42 H32 54.11(17) 1_555 1_555 1_555 C22 C42 C32 29.45(16) 1_555 1_555 1_555 C22 C42 C52 88.18(35) 1_555 1_555 1_555 C22 C42 H42 150.64(22) 1_555 1_555 1_555 H121 C42 C22 71.14(77) 4_465 1_555 1_555 H121 C42 C62 61.79(50) 4_465 1_555 1_555 H121 C42 H52 78.27(58) 4_465 1_555 1_555 H121 C42 H32 95.71(64) 4_465 1_555 1_555 H121 C42 C32 83.91(73) 4_465 1_555 1_555 H121 C42 C52 68.48(46) 4_465 1_555 1_555 H121 C42 H42 117.17(67) 4_465 1_555 1_555 H31 C42 H121 163.07(96) 4_455 1_555 4_465 H31 C42 C22 93.69(47) 4_455 1_555 1_555 H31 C42 C62 104.25(49) 4_455 1_555 1_555 H31 C42 H52 101.79(53) 4_455 1_555 1_555 H31 C42 H32 80.57(50) 4_455 1_555 1_555 H31 C42 C32 86.20(49) 4_455 1_555 1_555 H31 C42 C52 104.52(52) 4_455 1_555 1_555 H31 C42 H42 79.74(47) 4_455 1_555 1_555 H31 C42 H31 100.59(54) 1_455 1_555 4_455 H31 C42 H121 90.58(63) 1_455 1_555 4_465 H31 C42 C22 103.66(64) 1_455 1_555 1_555 H31 C42 C62 150.14(51) 1_455 1_555 1_555 H31 C42 H52 135.35(50) 1_455 1_555 1_555 H31 C42 H32 55.42(63) 1_455 1_555 1_555 H31 C42 C32 77.12(59) 1_455 1_555 1_555 H31 C42 C52 151.45(46) 1_455 1_555 1_555 H31 C42 H42 50.73(57) 1_455 1_555 1_555 H22 C42 H31 122.39(57) 1_545 1_555 1_455 H22 C42 H31 42.94(56) 1_545 1_555 4_455 H22 C42 H121 138.08(67) 1_545 1_555 4_465 H22 C42 C22 118.09(67) 1_545 1_555 1_555 H22 C42 C62 87.33(71) 1_545 1_555 1_555 H22 C42 H52 60.23(54) 1_545 1_555 1_555 H22 C42 H32 123.50(53) 1_545 1_555 1_555 H22 C42 C32 125.27(54) 1_545 1_555 1_555 H22 C42 C52 71.01(63) 1_545 1_555 1_555 H22 C42 H42 75.91(73) 1_545 1_555 1_555 C12 C42 H22 104.09(73) 1_555 1_555 1_545 C12 C42 H31 129.27(57) 1_555 1_555 1_455 C12 C42 H31 100.26(47) 1_555 1_555 4_455 C12 C42 H121 62.83(67) 1_555 1_555 4_465 C12 C42 C22 29.36(22) 1_555 1_555 1_555 C12 C42 C62 29.36(22) 1_555 1_555 1_555 C12 C42 H52 83.47(25) 1_555 1_555 1_555 C12 C42 H32 83.47(25) 1_555 1_555 1_555 C12 C42 C32 58.82(16) 1_555 1_555 1_555 C12 C42 C52 58.82(16) 1_555 1_555 1_555 C12 C42 H42 180.000000000000(67) 1_555 1_555 1_555 H22 C42 C12 96.83(40) 4_465 1_555 1_555 H22 C42 H22 158.83(85) 4_465 1_555 1_545 H22 C42 H31 40.27(55) 4_465 1_555 1_455 H22 C42 H31 136.13(51) 4_465 1_555 4_455 H22 C42 H121 51.21(42) 4_465 1_555 4_465 H22 C42 C22 82.09(36) 4_465 1_555 1_555 H22 C42 C62 110.18(47) 4_465 1_555 1_555 H22 C42 H52 120.17(40) 4_465 1_555 1_555 H22 C42 H32 61.61(39) 4_465 1_555 1_555 H22 C42 C32 68.93(36) 4_465 1_555 1_555 H22 C42 C52 118.86(44) 4_465 1_555 1_555 H22 C42 H42 83.17(40) 4_465 1_555 1_555 H21 C42 H22 85.65(49) 4_455 1_555 4_465 H21 C42 C12 112.04(58) 4_455 1_555 1_555 H21 C42 H22 89.42(50) 4_455 1_555 1_545 H21 C42 H31 54.57(38) 4_455 1_555 1_455 H21 C42 H31 50.49(38) 4_455 1_555 4_455 H21 C42 H121 132.45(68) 4_455 1_555 4_465 H21 C42 C22 85.70(62) 4_455 1_555 1_555 H21 C42 C62 136.82(60) 4_455 1_555 1_555 H21 C42 H52 149.03(44) 4_455 1_555 1_555 H21 C42 H32 39.45(53) 4_455 1_555 1_555 H21 C42 C32 59.52(55) 4_455 1_555 1_555 H21 C42 C52 153.63(53) 4_455 1_555 1_555 H21 C42 H42 67.96(58) 4_455 1_555 1_555 H42 C42 H21 74.49(49) 4_555 1_555 4_455 H42 C42 H22 136.61(77) 4_555 1_555 4_465 H42 C42 C12 58.22(41) 4_555 1_555 1_555 H42 C42 H22 60.62(53) 4_555 1_555 1_545 H42 C42 H31 127.97(38) 4_555 1_555 1_455 H42 C42 H31 42.11(38) 4_555 1_555 4_455 H42 C42 H121 121.04(87) 4_555 1_555 4_465 H42 C42 C22 58.68(49) 4_555 1_555 1_555 H42 C42 C62 66.54(37) 4_555 1_555 1_555 H42 C42 H52 93.64(46) 4_555 1_555 1_555 H42 C42 H32 79.44(48) 4_555 1_555 1_555 H42 C42 C32 67.73(50) 4_555 1_555 1_555 H42 C42 C52 80.42(40) 4_555 1_555 1_555 H42 C42 H42 121.78(41) 4_555 1_555 1_555 C62 C52 H52 116.97(33) 1_555 1_555 1_555 C42 C52 C62 120.86(29) 1_555 1_555 1_555 C42 C52 H52 122.17(44) 1_555 1_555 1_555 H62 C52 C42 146.50(23) 1_555 1_555 1_555 H62 C52 C62 25.64(27) 1_555 1_555 1_555 H62 C52 H52 91.33(43) 1_555 1_555 1_555 H42 C52 H62 171.56(24) 1_555 1_555 1_555 H42 C52 C42 25.066(89) 1_555 1_555 1_555 H42 C52 C62 145.92(31) 1_555 1_555 1_555 H42 C52 H52 97.11(45) 1_555 1_555 1_555 H121 C52 H42 86.91(64) 4_465 1_555 1_555 H121 C52 H62 89.81(68) 4_465 1_555 1_555 H121 C52 C42 77.72(56) 4_465 1_555 1_555 H121 C52 C62 80.10(77) 4_465 1_555 1_555 H121 C52 H52 112.98(71) 4_465 1_555 1_555 C32 C52 H121 69.42(58) 1_555 1_555 4_465 C32 C52 H42 56.25(11) 1_555 1_555 1_555 C32 C52 H62 115.31(23) 1_555 1_555 1_555 C32 C52 C42 31.18(16) 1_555 1_555 1_555 C32 C52 C62 89.67(33) 1_555 1_555 1_555 C32 C52 H52 153.36(47) 1_555 1_555 1_555 C12 C52 C32 60.367(90) 1_555 1_555 1_555 C12 C52 H121 71.24(80) 1_555 1_555 4_465 C12 C52 H42 116.62(16) 1_555 1_555 1_555 C12 C52 H62 54.95(23) 1_555 1_555 1_555 C12 C52 C42 91.55(18) 1_555 1_555 1_555 C12 C52 C62 29.31(35) 1_555 1_555 1_555 C12 C52 H52 146.27(48) 1_555 1_555 1_555 H22 C52 C12 120.26(62) 1_545 1_555 1_555 H22 C52 C32 94.85(53) 1_545 1_555 1_555 H22 C52 H121 153.6(13) 1_545 1_555 4_465 H22 C52 H42 66.73(79) 1_545 1_555 1_555 H22 C52 H62 116.39(80) 1_545 1_555 1_555 H22 C52 C42 78.29(68) 1_545 1_555 1_555 H22 C52 C62 122.15(79) 1_545 1_555 1_555 H22 C52 H52 71.70(45) 1_545 1_555 1_555 H61 C52 H22 123.45(73) 2_544 1_555 1_545 H61 C52 C12 96.10(70) 2_544 1_555 1_555 H61 C52 C32 141.70(72) 2_544 1_555 1_555 H61 C52 H121 74.59(71) 2_544 1_555 4_465 H61 C52 H42 134.87(63) 2_544 1_555 1_555 H61 C52 H62 51.06(67) 2_544 1_555 1_555 H61 C52 C42 147.06(64) 2_544 1_555 1_555 H61 C52 C62 71.36(75) 2_544 1_555 1_555 H61 C52 H52 56.22(84) 2_544 1_555 1_555 H121 C52 H61 86.09(69) 1_545 1_555 2_544 H121 C52 H22 53.20(55) 1_545 1_555 1_545 H121 C52 C12 92.96(45) 1_545 1_555 1_555 H121 C52 C32 122.16(49) 1_545 1_555 1_555 H121 C52 H121 153.2(11) 1_545 1_555 4_465 H121 C52 H42 119.86(56) 1_545 1_555 1_555 H121 C52 H62 63.42(56) 1_545 1_555 1_555 H121 C52 C42 125.54(56) 1_545 1_555 1_555 H121 C52 C62 76.10(53) 1_545 1_555 1_555 H121 C52 H52 68.49(51) 1_545 1_555 1_555 C22 C52 H121 109.73(43) 1_555 1_555 1_545 C22 C52 H61 121.01(70) 1_555 1_555 2_544 C22 C52 H22 109.91(50) 1_555 1_555 1_545 C22 C52 C12 30.16(13) 1_555 1_555 1_555 C22 C52 C32 30.21(14) 1_555 1_555 1_555 C22 C52 H121 67.09(72) 1_555 1_555 4_465 C22 C52 H42 86.46(23) 1_555 1_555 1_555 C22 C52 H62 85.11(33) 1_555 1_555 1_555 C22 C52 C42 61.39(26) 1_555 1_555 1_555 C22 C52 C62 59.47(45) 1_555 1_555 1_555 C22 C52 H52 176.44(56) 1_555 1_555 1_555 N12 C52 C22 128.85(52) 1_545 1_555 1_555 N12 C52 H121 19.32(17) 1_545 1_555 1_545 N12 C52 H61 74.18(63) 1_545 1_555 2_544 N12 C52 H22 54.59(47) 1_545 1_555 1_545 N12 C52 C12 108.98(53) 1_545 1_555 1_555 N12 C52 C32 139.42(48) 1_545 1_555 1_555 N12 C52 H121 148.60(77) 1_545 1_555 4_465 N12 C52 H42 118.05(49) 1_545 1_555 1_555 N12 C52 H62 67.84(53) 1_545 1_555 1_555 N12 C52 C42 132.83(47) 1_545 1_555 1_555 N12 C52 C62 86.93(58) 1_545 1_555 1_555 N12 C52 H52 49.24(58) 1_545 1_555 1_555 C62 C52 N12 109.89(57) 4_455 1_555 1_545 C62 C52 C22 120.75(55) 4_455 1_555 1_555 C62 C52 H121 129.21(51) 4_455 1_555 1_545 C62 C52 H61 64.26(44) 4_455 1_555 2_544 C62 C52 H22 109.57(91) 4_455 1_555 1_545 C62 C52 C12 128.46(58) 4_455 1_555 1_555 C62 C52 C32 105.16(44) 4_455 1_555 1_555 C62 C52 H121 57.93(71) 4_455 1_555 4_465 C62 C52 H42 70.98(42) 4_455 1_555 1_555 C62 C52 H62 113.61(47) 4_455 1_555 1_555 C62 C52 C42 86.00(40) 4_455 1_555 1_555 C62 C52 C62 124.63(56) 4_455 1_555 1_555 C62 C52 H52 60.79(53) 4_455 1_555 1_555 C22 C52 C62 95.91(77) 1_545 1_555 4_455 C22 C52 N12 45.98(30) 1_545 1_555 1_545 C22 C52 C22 128.64(48) 1_545 1_555 1_555 C22 C52 H121 52.26(36) 1_545 1_555 1_545 C22 C52 H61 106.40(68) 1_545 1_555 2_544 C22 C52 H22 18.733(88) 1_545 1_555 1_545 C22 C52 C12 135.59(58) 1_545 1_555 1_555 C22 C52 C32 111.41(49) 1_545 1_555 1_555 C22 C52 H121 151.3(13) 1_545 1_555 4_465 C22 C52 H42 72.06(63) 1_545 1_555 1_555 C22 C52 H62 113.53(66) 1_545 1_555 1_555 C22 C52 C42 89.67(56) 1_545 1_555 1_555 C22 C52 C62 128.05(68) 1_545 1_555 1_555 C22 C52 H52 53.01(45) 1_545 1_555 1_555 H62 C52 C22 105.21(82) 4_455 1_555 1_545 H62 C52 C62 19.679(91) 4_455 1_555 4_455 H62 C52 N12 103.63(58) 4_455 1_555 1_545 H62 C52 C22 121.45(68) 4_455 1_555 1_555 H62 C52 H121 121.80(49) 4_455 1_555 1_545 H62 C52 H61 45.33(45) 4_455 1_555 2_544 H62 C52 H22 122.06(92) 4_455 1_555 1_545 H62 C52 C12 117.60(68) 4_455 1_555 1_555 H62 C52 C32 116.03(51) 4_455 1_555 1_555 H62 C52 H121 54.36(65) 4_455 1_555 4_465 H62 C52 H42 90.47(40) 4_455 1_555 1_555 H62 C52 H62 93.93(46) 4_455 1_555 1_555 H62 C52 C42 103.22(38) 4_455 1_555 1_555 H62 C52 C62 106.61(61) 4_455 1_555 1_555 H62 C52 H52 58.72(66) 4_455 1_555 1_555 H122 C52 H62 46.15(46) 4_455 1_555 4_455 H122 C52 C22 64.22(61) 4_455 1_555 1_545 H122 C52 C62 49.69(45) 4_455 1_555 4_455 H122 C52 N12 60.29(24) 4_455 1_555 1_545 H122 C52 C22 166.93(64) 4_455 1_555 1_555 H122 C52 H121 79.60(27) 4_455 1_555 1_545 H122 C52 H61 48.91(65) 4_455 1_555 2_544 H122 C52 H22 82.93(64) 4_455 1_555 1_545 H122 C52 C12 144.31(83) 4_455 1_555 1_555 H122 C52 C32 150.68(68) 4_455 1_555 1_555 H122 C52 H121 100.38(84) 4_455 1_555 4_465 H122 C52 H42 96.88(79) 4_455 1_555 1_555 H122 C52 H62 91.35(83) 4_455 1_555 1_555 H122 C52 C42 121.26(78) 4_455 1_555 1_555 H122 C52 C62 116.32(88) 4_455 1_555 1_555 H122 C52 H52 12.60(55) 4_455 1_555 1_555 C12 C52 H122 37.46(38) 4_455 1_555 4_455 C12 C52 H62 38.96(30) 4_455 1_555 4_455 C12 C52 C22 70.69(58) 4_455 1_555 1_545 C12 C52 C62 25.23(25) 4_455 1_555 4_455 C12 C52 N12 91.87(41) 4_455 1_555 1_545 C12 C52 C22 138.30(48) 4_455 1_555 1_555 C12 C52 H121 110.09(38) 4_455 1_555 1_545 C12 C52 H61 73.66(49) 4_455 1_555 2_544 C12 C52 H22 84.82(71) 4_455 1_555 1_545 C12 C52 C12 153.61(48) 4_455 1_555 1_555 C12 C52 C32 113.25(47) 4_455 1_555 1_555 C12 C52 H121 82.52(84) 4_455 1_555 4_465 C12 C52 H42 63.20(49) 4_455 1_555 1_555 C12 C52 H62 124.05(53) 4_455 1_555 1_555 C12 C52 C42 85.43(49) 4_455 1_555 1_555 C12 C52 C62 143.93(55) 4_455 1_555 1_555 C12 C52 H52 44.42(58) 4_455 1_555 1_555 C12 C62 H62 118.57(34) 1_555 1_555 1_555 C52 C62 C12 121.36(52) 1_555 1_555 1_555 C52 C62 H62 120.07(62) 1_555 1_555 1_555 H52 C62 C52 26.92(15) 1_555 1_555 1_555 H52 C62 C12 148.27(55) 1_555 1_555 1_555 H52 C62 H62 93.15(65) 1_555 1_555 1_555 C22 C62 H52 117.25(37) 1_555 1_555 1_555 C22 C62 C52 90.33(33) 1_555 1_555 1_555 C22 C62 C12 31.03(26) 1_555 1_555 1_555 C22 C62 H62 149.60(43) 1_555 1_555 1_555 N12 C62 C22 60.54(20) 1_555 1_555 1_555 N12 C62 H52 174.76(28) 1_555 1_555 1_555 N12 C62 C52 150.41(51) 1_555 1_555 1_555 N12 C62 C12 29.74(15) 1_555 1_555 1_555 N12 C62 H62 89.18(37) 1_555 1_555 1_555 C42 C62 N12 120.95(40) 1_555 1_555 1_555 C42 C62 C22 60.64(22) 1_555 1_555 1_555 C42 C62 H52 56.61(23) 1_555 1_555 1_555 C42 C62 C52 29.69(16) 1_555 1_555 1_555 C42 C62 C12 91.67(41) 1_555 1_555 1_555 C42 C62 H62 149.76(53) 1_555 1_555 1_555 H121 C62 C42 59.74(66) 4_465 1_555 1_555 H121 C62 N12 96.46(83) 4_465 1_555 1_555 H121 C62 C22 71.04(63) 4_465 1_555 1_555 H121 C62 H52 78.30(83) 4_465 1_555 1_555 H121 C62 C52 66.83(80) 4_465 1_555 1_555 H121 C62 C12 85.72(80) 4_465 1_555 1_555 H121 C62 H62 118.70(56) 4_465 1_555 1_555 H61 C62 H121 73.46(66) 2_544 1_555 4_465 H61 C62 C42 102.83(60) 2_544 1_555 1_555 H61 C62 N12 122.08(69) 2_544 1_555 1_555 H61 C62 C22 144.41(70) 2_544 1_555 1_555 H61 C62 H52 56.45(71) 2_544 1_555 1_555 H61 C62 C52 78.02(66) 2_544 1_555 1_555 H61 C62 C12 143.27(75) 2_544 1_555 1_555 H61 C62 H62 53.21(69) 2_544 1_555 1_555 H122 C62 H61 112.34(70) 1_555 1_555 2_544 H122 C62 H121 114.81(85) 1_555 1_555 4_465 H122 C62 C42 141.17(45) 1_555 1_555 1_555 H122 C62 N12 22.82(11) 1_555 1_555 1_555 H122 C62 C22 80.91(26) 1_555 1_555 1_555 H122 C62 H52 161.10(54) 1_555 1_555 1_555 H122 C62 C52 169.63(53) 1_555 1_555 1_555 H122 C62 C12 50.06(23) 1_555 1_555 1_555 H122 C62 H62 68.84(42) 1_555 1_555 1_555 H121 C62 H122 105.64(77) 1_545 1_555 1_555 H121 C62 H61 87.29(79) 1_545 1_555 2_544 H121 C62 H121 139.3(14) 1_545 1_555 4_465 H121 C62 C42 91.56(70) 1_545 1_555 1_555 H121 C62 N12 123.97(73) 1_545 1_555 1_555 H121 C62 C22 122.06(54) 1_545 1_555 1_555 H121 C62 H52 61.27(71) 1_545 1_555 1_555 H121 C62 C52 74.31(75) 1_545 1_555 1_555 H121 C62 C12 126.35(57) 1_545 1_555 1_555 H121 C62 H62 71.19(69) 1_545 1_555 1_555 H52 C62 H121 64.40(65) 4_555 1_555 1_545 H52 C62 H122 47.25(80) 4_555 1_555 1_555 H52 C62 H61 128.97(91) 4_555 1_555 2_544 H52 C62 H121 153.0(17) 4_555 1_555 4_465 H52 C62 C42 118.52(51) 4_555 1_555 1_555 H52 C62 N12 60.13(92) 4_555 1_555 1_555 H52 C62 C22 84.82(87) 4_555 1_555 1_555 H52 C62 H52 124.99(92) 4_555 1_555 1_555 H52 C62 C52 126.80(63) 4_555 1_555 1_555 H52 C62 C12 67.30(97) 4_555 1_555 1_555 H52 C62 H62 77.00(67) 4_555 1_555 1_555 C32 C62 H52 102.89(70) 1_555 1_555 4_555 C32 C62 H121 108.91(62) 1_555 1_555 1_545 C32 C62 H122 110.97(37) 1_555 1_555 1_555 C32 C62 H61 126.93(60) 1_555 1_555 2_544 C32 C62 H121 61.34(53) 1_555 1_555 4_465 C32 C62 C42 30.43(11) 1_555 1_555 1_555 C32 C62 N12 90.63(31) 1_555 1_555 1_555 C32 C62 C22 30.21(14) 1_555 1_555 1_555 C32 C62 H52 87.04(30) 1_555 1_555 1_555 C32 C62 C52 60.12(25) 1_555 1_555 1_555 C32 C62 C12 61.23(33) 1_555 1_555 1_555 C32 C62 H62 179.81(48) 1_555 1_555 1_555 H112 C62 C32 114.46(85) 2_554 1_555 1_555 H112 C62 H52 88.83(71) 2_554 1_555 4_555 H112 C62 H121 133.10(68) 2_554 1_555 1_545 H112 C62 H122 42.20(74) 2_554 1_555 1_555 H112 C62 H61 80.84(56) 2_554 1_555 2_544 H112 C62 H121 79.7(11) 2_554 1_555 4_465 H112 C62 C42 135.29(82) 2_554 1_555 1_555 H112 C62 N12 41.56(75) 2_554 1_555 1_555 H112 C62 C22 90.38(83) 2_554 1_555 1_555 H112 C62 H52 135.95(81) 2_554 1_555 1_555 H112 C62 C52 144.26(72) 2_554 1_555 1_555 H112 C62 C12 65.62(81) 2_554 1_555 1_555 H112 C62 H62 65.39(87) 2_554 1_555 1_555 H122 C62 H112 46.00(84) 4_465 1_555 2_554 H122 C62 C32 82.98(48) 4_465 1_555 1_555 H122 C62 H52 129.6(14) 4_465 1_555 4_555 H122 C62 H121 160.34(88) 4_465 1_555 1_545 H122 C62 H122 83.46(53) 4_465 1_555 1_555 H122 C62 H61 73.08(64) 4_465 1_555 2_544 H122 C62 H121 33.72(41) 4_465 1_555 4_465 H122 C62 C42 91.75(38) 4_465 1_555 1_555 H122 C62 N12 69.86(60) 4_465 1_555 1_555 H122 C62 C22 76.08(63) 4_465 1_555 1_555 H122 C62 H52 105.16(61) 4_465 1_555 1_555 H122 C62 C52 99.89(47) 4_465 1_555 1_555 H122 C62 C12 72.91(70) 4_465 1_555 1_555 H122 C62 H62 96.97(46) 4_465 1_555 1_555 H61 C62 H122 115.35(72) 3_664 1_555 4_465 H61 C62 H112 71.24(74) 3_664 1_555 2_554 H61 C62 C32 147.68(67) 3_664 1_555 1_555 H61 C62 H52 44.80(42) 3_664 1_555 4_555 H61 C62 H121 62.58(54) 3_664 1_555 1_545 H61 C62 H122 50.25(82) 3_664 1_555 1_555 H61 C62 H61 84.99(64) 3_664 1_555 2_544 H61 C62 H121 146.20(78) 3_664 1_555 4_465 H61 C62 C42 152.88(69) 3_664 1_555 1_555 H61 C62 N12 73.04(81) 3_664 1_555 1_555 H61 C62 C22 124.76(74) 3_664 1_555 1_555 H61 C62 H52 111.21(89) 3_664 1_555 1_555 H61 C62 C52 134.20(85) 3_664 1_555 1_555 H61 C62 C12 97.32(78) 3_664 1_555 1_555 H61 C62 H62 32.20(62) 3_664 1_555 1_555 C52 C62 H61 50.79(33) 4_555 1_555 3_664 C52 C62 H122 149.1(13) 4_555 1_555 4_465 C52 C62 H112 107.63(66) 4_555 1_555 2_554 C52 C62 C32 99.57(45) 4_555 1_555 1_555 C52 C62 H52 19.71(12) 4_555 1_555 4_555 C52 C62 H121 46.57(57) 4_555 1_555 1_545 C52 C62 H122 66.77(74) 4_555 1_555 1_555 C52 C62 H61 124.89(96) 4_555 1_555 2_544 C52 C62 H121 160.59(65) 4_555 1_555 4_465 C52 C62 C42 106.04(40) 4_555 1_555 1_555 C52 C62 N12 79.30(79) 4_555 1_555 1_555 C52 C62 C22 90.67(65) 4_555 1_555 1_555 C52 C62 H52 105.71(78) 4_555 1_555 1_555 C52 C62 C52 108.09(61) 4_555 1_555 1_555 C52 C62 C12 81.37(79) 4_555 1_555 1_555 C52 C62 H62 80.38(44) 4_555 1_555 1_555 N11 C62 C52 120.45(54) 2_554 1_555 4_555 N11 C62 H61 75.22(55) 2_554 1_555 3_664 N11 C62 H122 40.56(58) 2_554 1_555 4_465 N11 C62 H112 19.05(14) 2_554 1_555 2_554 N11 C62 C32 121.20(69) 2_554 1_555 1_555 N11 C62 H52 103.58(63) 2_554 1_555 4_555 N11 C62 H121 129.86(57) 2_554 1_555 1_545 N11 C62 H122 59.32(73) 2_554 1_555 1_555 N11 C62 H61 62.19(45) 2_554 1_555 2_544 N11 C62 H121 71.78(91) 2_554 1_555 4_465 N11 C62 C42 131.49(64) 2_554 1_555 1_555 N11 C62 N12 60.57(71) 2_554 1_555 1_555 N11 C62 C22 103.48(71) 2_554 1_555 1_555 N11 C62 H52 116.90(77) 2_554 1_555 1_555 N11 C62 C52 128.88(69) 2_554 1_555 1_555 N11 C62 C12 82.85(73) 2_554 1_555 1_555 N11 C62 H62 58.71(68) 2_554 1_555 1_555 H42 C62 N11 146.58(83) 4_555 1_555 2_554 H42 C62 C52 40.12(18) 4_555 1_555 4_555 H42 C62 H61 90.75(44) 4_555 1_555 3_664 H42 C62 H122 135.91(93) 4_555 1_555 4_465 H42 C62 H112 127.63(85) 4_555 1_555 2_554 H42 C62 C32 59.92(37) 4_555 1_555 1_555 H42 C62 H52 49.80(30) 4_555 1_555 4_555 H42 C62 H121 62.86(58) 4_555 1_555 1_545 H42 C62 H122 88.28(50) 4_555 1_555 1_555 H42 C62 H61 147.9(10) 4_555 1_555 2_544 H42 C62 H121 121.20(50) 4_555 1_555 4_465 H42 C62 C42 68.74(27) 4_555 1_555 1_555 H42 C62 N12 86.48(51) 4_555 1_555 1_555 H42 C62 C22 59.85(51) 4_555 1_555 1_555 H42 C62 H52 96.38(44) 4_555 1_555 1_555 H42 C62 C52 82.49(35) 4_555 1_555 1_555 H42 C62 C12 68.80(55) 4_555 1_555 1_555 H42 C62 H62 120.05(36) 4_555 1_555 1_555 H111 C62 H42 148.93(71) 2_554 1_555 4_555 H111 C62 N11 18.79(14) 2_554 1_555 2_554 H111 C62 C52 112.07(53) 2_554 1_555 4_555 H111 C62 H61 62.25(50) 2_554 1_555 3_664 H111 C62 H122 56.72(49) 2_554 1_555 4_465 H111 C62 H112 32.49(32) 2_554 1_555 2_554 H111 C62 C32 139.31(67) 2_554 1_555 1_555 H111 C62 H52 99.37(64) 2_554 1_555 4_555 H111 C62 H121 111.36(55) 2_554 1_555 1_545 H111 C62 H122 63.07(82) 2_554 1_555 1_555 H111 C62 H61 50.81(54) 2_554 1_555 2_544 H111 C62 H121 83.96(79) 2_554 1_555 4_465 H111 C62 C42 141.64(72) 2_554 1_555 1_555 H111 C62 N12 71.71(79) 2_554 1_555 1_555 H111 C62 C22 121.72(74) 2_554 1_555 1_555 H111 C62 H52 107.22(90) 2_554 1_555 1_555 H111 C62 C52 126.93(86) 2_554 1_555 1_555 H111 C62 C12 98.01(80) 2_554 1_555 1_555 H111 C62 H62 40.62(66) 2_554 1_555 1_555 H122 H121 N12 35.69(42) 1_555 1_555 1_555 C12 H121 H122 66.04(18) 1_555 1_555 1_555 C12 H121 N12 37.55(22) 1_555 1_555 1_555 C52 H121 C12 156.52(96) 4_565 1_555 1_555 C52 H121 H122 122.3(13) 4_565 1_555 1_555 C52 H121 N12 157.8(14) 4_565 1_555 1_555 H22 H121 C52 108.27(96) 1_555 1_555 4_565 H22 H121 C12 56.45(27) 1_555 1_555 1_555 H22 H121 H122 121.84(25) 1_555 1_555 1_555 H22 H121 N12 92.39(44) 1_555 1_555 1_555 C42 H121 H22 75.04(70) 4_565 1_555 1_555 C42 H121 C52 33.80(35) 4_565 1_555 4_565 C42 H121 C12 125.44(69) 4_565 1_555 1_555 C42 H121 H122 143.1(12) 4_565 1_555 1_555 C42 H121 N12 160.9(10) 4_565 1_555 1_555 C62 H121 C42 58.46(45) 4_565 1_555 4_565 C62 H121 H22 129.31(73) 4_565 1_555 1_555 C62 H121 C52 33.08(25) 4_565 1_555 4_565 C62 H121 C12 140.3(15) 4_565 1_555 1_555 C62 H121 H122 90.1(13) 4_565 1_555 1_555 C62 H121 N12 125.7(14) 4_565 1_555 1_555 H52 H121 C62 148.9(12) 1_565 1_555 4_565 H52 H121 C42 107.7(12) 1_565 1_555 4_565 H52 H121 H22 60.61(67) 1_565 1_555 1_555 H52 H121 C52 119.8(14) 1_565 1_555 4_565 H52 H121 C12 70.79(44) 1_565 1_555 1_555 H52 H121 H122 109.09(62) 1_565 1_555 1_555 H52 H121 N12 77.21(69) 1_565 1_555 1_555 H62 H121 H52 56.18(70) 1_565 1_555 1_565 H62 H121 C62 95.15(67) 1_565 1_555 4_565 H62 H121 C42 94.32(78) 1_565 1_555 4_565 H62 H121 H22 108.12(94) 1_565 1_555 1_555 H62 H121 C52 78.43(68) 1_565 1_555 4_565 H62 H121 C12 121.69(93) 1_565 1_555 1_555 H62 H121 H122 108.34(66) 1_565 1_555 1_555 H62 H121 N12 103.41(87) 1_565 1_555 1_555 C22 H121 H62 117.33(99) 1_555 1_555 1_565 C22 H121 H52 61.67(56) 1_555 1_555 1_565 C22 H121 C62 141.58(91) 1_555 1_555 4_565 C22 H121 C42 96.92(66) 1_555 1_555 4_565 C22 H121 H22 24.29(12) 1_555 1_555 1_555 C22 H121 C52 130.72(86) 1_555 1_555 4_565 C22 H121 C12 32.17(23) 1_555 1_555 1_555 C22 H121 H122 97.84(24) 1_555 1_555 1_555 C22 H121 N12 68.64(37) 1_555 1_555 1_555 H112 H121 C22 89.35(71) 2_554 1_555 1_555 H112 H121 H62 71.43(95) 2_554 1_555 1_565 H112 H121 H52 64.20(77) 2_554 1_555 1_565 H112 H121 C62 121.9(11) 2_554 1_555 4_565 H112 H121 C42 165.7(16) 2_554 1_555 4_565 H112 H121 H22 108.16(76) 2_554 1_555 1_555 H112 H121 C52 138.2(11) 2_554 1_555 4_565 H112 H121 C12 64.65(68) 2_554 1_555 1_555 H112 H121 H122 47.38(90) 2_554 1_555 1_555 H112 H121 N12 32.63(78) 2_554 1_555 1_555 C32 H121 H112 163.0(14) 4_565 1_555 2_554 C32 H121 C22 79.95(48) 4_565 1_555 1_555 C32 H121 H62 125.27(80) 4_565 1_555 1_565 C32 H121 H52 120.20(98) 4_565 1_555 1_565 C32 H121 C62 63.97(50) 4_565 1_555 4_565 C32 H121 C42 31.07(27) 4_565 1_555 4_565 C32 H121 H22 65.82(43) 4_565 1_555 1_555 C32 H121 C52 56.24(48) 4_565 1_555 4_565 C32 H121 C12 100.31(71) 4_565 1_555 1_555 C32 H121 H122 120.7(10) 4_565 1_555 1_555 C32 H121 N12 130.4(11) 4_565 1_555 1_555 C52 H121 C32 105.42(84) 1_565 1_555 4_565 C52 H121 H112 83.47(94) 1_565 1_555 2_554 C52 H121 C22 72.11(58) 1_565 1_555 1_555 C52 H121 H62 47.42(53) 1_565 1_555 1_565 C52 H121 H52 23.19(32) 1_565 1_555 1_565 C52 H121 C62 128.3(11) 1_565 1_555 4_565 C52 H121 C42 86.28(92) 1_565 1_555 4_565 C52 H121 H22 60.89(59) 1_565 1_555 1_555 C52 H121 C52 97.0(11) 1_565 1_555 4_565 C52 H121 C12 90.27(62) 1_565 1_555 1_555 C52 H121 H122 130.48(72) 1_565 1_555 1_555 C52 H121 N12 100.34(86) 1_565 1_555 1_555 C62 H121 C52 29.59(32) 1_565 1_555 1_565 C62 H121 C32 108.40(84) 1_565 1_555 4_565 C62 H121 H112 86.6(10) 1_565 1_555 2_554 C62 H121 C22 101.55(84) 1_565 1_555 1_555 C62 H121 H62 22.94(21) 1_565 1_555 1_565 C62 H121 H52 46.95(55) 1_565 1_555 1_565 C62 H121 C62 101.99(84) 1_565 1_555 4_565 C62 H121 C42 79.64(82) 1_565 1_555 4_565 C62 H121 H22 87.26(78) 1_565 1_555 1_555 C62 H121 C52 75.50(83) 1_565 1_555 4_565 C62 H121 C12 117.72(90) 1_565 1_555 1_555 C62 H121 H122 129.50(71) 1_565 1_555 1_555 C62 H121 N12 114.7(10) 1_565 1_555 1_555 C12 H121 C62 130.51(74) 4_565 1_555 1_565 C12 H121 C52 150.71(96) 4_565 1_555 1_565 C12 H121 C32 52.52(40) 4_565 1_555 4_565 C12 H121 H112 123.3(13) 4_565 1_555 2_554 C12 H121 C22 115.67(92) 4_565 1_555 1_555 C12 H121 H62 124.87(59) 4_565 1_555 1_565 C12 H121 H52 172.5(11) 4_565 1_555 1_565 C12 H121 C62 29.93(33) 4_565 1_555 4_565 C12 H121 C42 65.14(45) 4_565 1_555 4_565 C12 H121 H22 113.79(66) 4_565 1_555 1_555 C12 H121 C52 55.74(40) 4_565 1_555 4_565 C12 H121 C12 111.0(13) 4_565 1_555 1_555 C12 H121 H122 78.0(11) 4_565 1_555 1_555 C12 H121 N12 108.8(13) 4_565 1_555 1_555 C22 H121 C12 28.59(29) 4_565 1_555 4_565 C22 H121 C62 133.30(79) 4_565 1_555 1_565 C22 H121 C52 134.23(81) 4_565 1_555 1_565 C22 H121 C32 28.91(24) 4_565 1_555 4_565 C22 H121 H112 139.3(15) 4_565 1_555 2_554 C22 H121 C22 89.61(64) 4_565 1_555 1_555 C22 H121 H62 141.98(63) 4_565 1_555 1_565 C22 H121 H52 145.43(82) 4_565 1_555 1_565 C22 H121 C62 52.36(56) 4_565 1_555 4_565 C22 H121 C42 53.89(42) 4_565 1_555 4_565 C22 H121 H22 85.21(51) 4_565 1_555 1_555 C22 H121 C52 63.55(50) 4_565 1_555 4_565 C22 H121 C12 95.58(94) 4_565 1_555 1_555 C22 H121 H122 92.60(98) 4_565 1_555 1_555 C22 H121 N12 111.6(12) 4_565 1_555 1_555 H52 H121 C22 83.13(53) 4_565 1_555 4_565 H52 H121 C12 72.21(45) 4_565 1_555 4_565 H52 H121 C62 58.30(59) 4_565 1_555 1_565 H52 H121 C52 83.66(90) 4_565 1_555 1_565 H52 H121 C32 73.83(59) 4_565 1_555 4_565 H52 H121 H112 122.2(11) 4_565 1_555 2_554 H52 H121 C22 137.8(11) 4_565 1_555 1_555 H52 H121 H62 58.86(47) 4_565 1_555 1_565 H52 H121 H52 104.8(11) 4_565 1_555 1_565 H52 H121 C62 44.66(40) 4_565 1_555 4_565 H52 H121 C42 46.41(48) 4_565 1_555 4_565 H52 H121 H22 113.6(11) 4_565 1_555 1_555 H52 H121 C52 19.61(28) 4_565 1_555 4_565 H52 H121 C12 170.0(11) 4_565 1_555 1_555 H52 H121 H122 123.9(12) 4_565 1_555 1_555 H52 H121 N12 151.61(93) 4_565 1_555 1_555 H52 H121 H52 127.2(12) 4_555 1_555 4_565 H52 H121 C22 53.33(82) 4_555 1_555 4_565 H52 H121 C12 55.2(11) 4_555 1_555 4_565 H52 H121 C62 173.34(76) 4_555 1_555 1_565 H52 H121 C52 147.29(58) 4_555 1_555 1_565 H52 H121 C32 77.71(86) 4_555 1_555 4_565 H52 H121 H112 87.01(99) 4_555 1_555 2_554 H52 H121 C22 76.58(41) 4_555 1_555 1_555 H52 H121 H62 153.41(89) 4_555 1_555 1_565 H52 H121 H52 127.93(40) 4_555 1_555 1_565 H52 H121 C62 83.0(14) 4_555 1_555 4_565 H52 H121 C42 106.9(11) 4_555 1_555 4_565 H52 H121 H22 93.04(52) 4_555 1_555 1_555 H52 H121 C52 110.6(13) 4_555 1_555 4_565 H52 H121 C12 57.53(38) 4_555 1_555 1_555 H52 H121 H122 45.34(60) 4_555 1_555 1_555 H52 H121 N12 58.63(63) 4_555 1_555 1_555 H61 H121 H52 115.9(12) 3_674 1_555 4_555 H61 H121 H52 44.34(44) 3_674 1_555 4_565 H61 H121 C22 106.74(64) 3_674 1_555 4_565 H61 H121 C12 81.09(53) 3_674 1_555 4_565 H61 H121 C62 64.69(61) 3_674 1_555 1_565 H61 H121 C52 93.30(83) 3_674 1_555 1_565 H61 H121 C32 112.67(70) 3_674 1_555 4_565 H61 H121 H112 80.6(10) 3_674 1_555 2_554 H61 H121 C22 163.2(11) 3_674 1_555 1_555 H61 H121 H62 46.67(56) 3_674 1_555 1_565 H61 H121 H52 101.72(96) 3_674 1_555 1_565 H61 H121 C62 54.43(55) 3_674 1_555 4_565 H61 H121 C42 90.09(64) 3_674 1_555 4_565 H61 H121 H22 150.4(12) 3_674 1_555 1_555 H61 H121 C52 57.62(47) 3_674 1_555 4_565 H61 H121 C12 144.46(82) 3_674 1_555 1_555 H61 H121 H122 85.28(97) 3_674 1_555 1_555 H61 H121 N12 107.27(90) 3_674 1_555 1_555 H42 H121 H61 93.11(65) 4_565 1_555 3_674 H42 H121 H52 120.70(95) 4_565 1_555 4_555 H42 H121 H52 49.39(51) 4_565 1_555 4_565 H42 H121 C22 69.65(50) 4_565 1_555 4_565 H42 H121 C12 83.01(54) 4_565 1_555 4_565 H42 H121 C62 65.39(60) 4_565 1_555 1_565 H42 H121 C52 68.54(68) 4_565 1_555 1_565 H42 H121 C32 43.01(40) 4_565 1_555 4_565 H42 H121 H112 151.0(15) 4_565 1_555 2_554 H42 H121 C22 89.16(68) 4_565 1_555 1_555 H42 H121 H62 83.63(63) 4_565 1_555 1_565 H42 H121 H52 89.84(97) 4_565 1_555 1_565 H42 H121 C62 73.79(61) 4_565 1_555 4_565 H42 H121 C42 17.87(27) 4_565 1_555 4_565 H42 H121 H22 65.24(69) 4_565 1_555 1_555 H42 H121 C52 44.05(51) 4_565 1_555 4_565 H42 H121 C12 120.87(66) 4_565 1_555 1_555 H42 H121 H122 161.0(11) 4_565 1_555 1_555 H42 H121 N12 157.59(83) 4_565 1_555 1_555 H62 H121 H42 86.26(57) 4_565 1_555 4_565 H62 H121 H61 39.98(50) 4_565 1_555 3_674 H62 H121 H52 86.2(13) 4_565 1_555 4_555 H62 H121 H52 46.40(35) 4_565 1_555 4_565 H62 H121 C22 67.44(52) 4_565 1_555 4_565 H62 H121 C12 41.14(31) 4_565 1_555 4_565 H62 H121 C62 97.21(67) 4_565 1_555 1_565 H62 H121 C52 126.46(93) 4_565 1_555 1_565 H62 H121 C32 81.19(49) 4_565 1_555 4_565 H62 H121 H112 105.46(99) 4_565 1_555 2_554 H62 H121 C22 156.8(10) 4_565 1_555 1_555 H62 H121 H62 84.80(49) 4_565 1_555 1_565 H62 H121 H52 140.97(94) 4_565 1_555 1_565 H62 H121 C62 17.22(17) 4_565 1_555 4_565 H62 H121 C42 72.99(46) 4_565 1_555 4_565 H62 H121 H22 146.29(67) 4_565 1_555 1_555 H62 H121 C52 42.45(31) 4_565 1_555 4_565 H62 H121 C12 141.8(14) 4_565 1_555 1_555 H62 H121 H122 80.3(12) 4_565 1_555 1_555 H62 H121 N12 115.3(12) 4_565 1_555 1_555 H121 H122 N12 35.69(42) 1_555 1_555 1_555 H112 H122 H121 94.3(13) 2_554 1_555 1_555 H112 H122 N12 70.4(12) 2_554 1_555 1_555 C12 H122 H112 79.81(88) 1_555 1_555 2_554 C12 H122 H121 66.04(18) 1_555 1_555 1_555 C12 H122 N12 37.55(22) 1_555 1_555 1_555 N11 H122 C12 171.5(13) 3_664 1_555 1_555 N11 H122 H112 99.4(14) 3_664 1_555 2_554 N11 H122 H121 122.5(13) 3_664 1_555 1_555 N11 H122 N12 150.1(15) 3_664 1_555 1_555 H52 H122 N11 101.7(16) 4_555 1_555 3_664 H52 H122 C12 74.58(61) 4_555 1_555 1_555 H52 H122 H112 141.0(15) 4_555 1_555 2_554 H52 H122 H121 101.4(11) 4_555 1_555 1_555 H52 H122 N12 103.32(97) 4_555 1_555 1_555 H112 H122 H52 76.7(14) 3_664 1_555 4_555 H112 H122 N11 26.59(39) 3_664 1_555 3_664 H112 H122 C12 151.3(14) 3_664 1_555 1_555 H112 H122 H112 125.2(16) 3_664 1_555 2_554 H112 H122 H121 119.2(13) 3_664 1_555 1_555 H112 H122 N12 154.9(14) 3_664 1_555 1_555 H61 H122 H112 61.86(99) 3_664 1_555 3_664 H61 H122 H52 57.6(12) 3_664 1_555 4_555 H61 H122 N11 69.0(10) 3_664 1_555 3_664 H61 H122 C12 102.73(72) 3_664 1_555 1_555 H61 H122 H112 101.4(15) 3_664 1_555 2_554 H61 H122 H121 158.89(93) 3_664 1_555 1_555 H61 H122 N12 139.56(82) 3_664 1_555 1_555 H62 H122 H61 54.53(72) 1_555 1_555 3_664 H62 H122 H112 116.4(13) 1_555 1_555 3_664 H62 H122 H52 71.39(66) 1_555 1_555 4_555 H62 H122 N11 117.0(12) 1_555 1_555 3_664 H62 H122 C12 54.61(27) 1_555 1_555 1_555 H62 H122 H112 69.8(11) 1_555 1_555 2_554 H62 H122 H121 120.15(26) 1_555 1_555 1_555 H62 H122 N12 86.57(46) 1_555 1_555 1_555 C11 H122 H62 85.81(87) 3_664 1_555 1_555 C11 H122 H61 49.63(68) 3_664 1_555 3_664 C11 H122 H112 49.87(62) 3_664 1_555 3_664 C11 H122 H52 102.6(16) 3_664 1_555 4_555 C11 H122 N11 32.97(42) 3_664 1_555 3_664 C11 H122 C12 139.57(90) 3_664 1_555 1_555 C11 H122 H112 78.7(13) 3_664 1_555 2_554 C11 H122 H121 149.26(99) 3_664 1_555 1_555 C11 H122 N12 149.0(14) 3_664 1_555 1_555 C62 H122 C11 109.38(88) 1_555 1_555 3_664 C62 H122 H62 23.65(12) 1_555 1_555 1_555 C62 H122 H61 74.23(74) 1_555 1_555 3_664 C62 H122 H112 134.2(13) 1_555 1_555 3_664 C62 H122 H52 68.88(44) 1_555 1_555 4_555 C62 H122 N11 140.5(13) 1_555 1_555 3_664 C62 H122 C12 31.06(23) 1_555 1_555 1_555 C62 H122 H112 73.91(98) 1_555 1_555 2_554 C62 H122 H121 97.01(24) 1_555 1_555 1_555 C62 H122 N12 65.42(37) 1_555 1_555 1_555 C61 H122 C62 81.42(73) 3_664 1_555 1_555 C61 H122 C11 30.64(43) 3_664 1_555 3_664 C61 H122 H62 58.02(69) 3_664 1_555 1_555 C61 H122 H61 23.51(33) 3_664 1_555 3_664 C61 H122 H112 63.76(88) 3_664 1_555 3_664 C61 H122 H52 81.1(14) 3_664 1_555 4_555 C61 H122 N11 59.08(81) 3_664 1_555 3_664 C61 H122 C12 112.47(70) 3_664 1_555 1_555 C61 H122 H112 82.1(14) 3_664 1_555 2_554 C61 H122 H121 176.37(99) 3_664 1_555 1_555 C61 H122 N12 141.35(96) 3_664 1_555 1_555 H51 H122 C61 84.76(77) 3_674 1_555 3_664 H51 H122 C62 119.22(89) 3_674 1_555 1_555 H51 H122 C11 60.49(66) 3_674 1_555 3_664 H51 H122 H62 109.48(91) 3_674 1_555 1_555 H51 H122 H61 107.85(97) 3_674 1_555 3_664 H51 H122 H112 87.7(10) 3_674 1_555 3_664 H51 H122 H52 162.4(15) 3_674 1_555 4_555 H51 H122 N11 61.8(10) 3_674 1_555 3_664 H51 H122 C12 120.87(97) 3_674 1_555 1_555 H51 H122 H112 45.6(12) 3_674 1_555 2_554 H51 H122 H121 93.21(93) 3_674 1_555 1_555 H51 H122 N12 94.2(11) 3_674 1_555 1_555 N11 H122 H51 50.92(89) 2_554 1_555 3_674 N11 H122 C61 71.36(87) 2_554 1_555 3_664 N11 H122 C62 68.60(58) 2_554 1_555 1_555 N11 H122 C11 71.90(87) 2_554 1_555 3_664 N11 H122 H62 60.64(68) 2_554 1_555 1_555 N11 H122 H61 89.8(10) 2_554 1_555 3_664 N11 H122 H112 120.9(12) 2_554 1_555 3_664 N11 H122 H52 131.9(12) 2_554 1_555 4_555 N11 H122 N11 97.0(11) 2_554 1_555 3_664 N11 H122 C12 80.53(60) 2_554 1_555 1_555 N11 H122 H112 11.64(58) 2_554 1_555 2_554 N11 H122 H121 105.03(86) 2_554 1_555 1_555 N11 H122 N12 78.17(89) 2_554 1_555 1_555 C12 H122 N11 166.8(16) 4_565 1_555 2_554 C12 H122 H51 116.9(11) 4_565 1_555 3_674 C12 H122 C61 115.6(11) 4_565 1_555 3_664 C12 H122 C62 122.43(85) 4_565 1_555 1_555 C12 H122 C11 107.98(68) 4_565 1_555 3_664 C12 H122 H62 132.5(11) 4_565 1_555 1_555 C12 H122 H61 100.1(12) 4_565 1_555 3_664 C12 H122 H112 58.20(72) 4_565 1_555 3_664 C12 H122 H52 61.33(73) 4_565 1_555 4_555 C12 H122 N11 78.70(79) 4_565 1_555 3_664 C12 H122 C12 105.50(62) 4_565 1_555 1_555 C12 H122 H112 156.1(21) 4_565 1_555 2_554 C12 H122 H121 68.0(10) 4_565 1_555 1_555 C12 H122 N12 99.27(96) 4_565 1_555 1_555 H111 H122 C12 76.57(68) 3_664 1_555 4_565 H111 H122 N11 96.04(92) 3_664 1_555 2_554 H111 H122 H51 52.90(88) 3_664 1_555 3_674 H111 H122 C61 72.08(72) 3_664 1_555 3_664 H111 H122 C62 152.7(10) 3_664 1_555 1_555 H111 H122 C11 43.30(43) 3_664 1_555 3_664 H111 H122 H62 129.1(10) 3_664 1_555 1_555 H111 H122 H61 83.60(92) 3_664 1_555 3_664 H111 H122 H112 35.52(46) 3_664 1_555 3_664 H111 H122 H52 112.2(13) 3_664 1_555 4_555 H111 H122 N11 14.67(39) 3_664 1_555 3_664 H111 H122 C12 172.7(13) 3_664 1_555 1_555 H111 H122 H112 95.5(12) 3_664 1_555 2_554 H111 H122 H121 109.1(10) 3_664 1_555 1_555 H111 H122 N12 135.6(12) 3_664 1_555 1_555 C62 H122 H111 64.34(48) 4_565 1_555 3_664 C62 H122 C12 26.95(30) 4_565 1_555 4_565 C62 H122 N11 139.8(14) 4_565 1_555 2_554 C62 H122 H51 91.98(94) 4_565 1_555 3_674 C62 H122 C61 126.77(82) 4_565 1_555 3_664 C62 H122 C62 141.34(70) 4_565 1_555 1_555 C62 H122 C11 105.69(45) 4_565 1_555 3_664 C62 H122 H62 158.54(96) 4_565 1_555 1_555 C62 H122 H61 119.9(11) 4_565 1_555 3_664 C62 H122 H112 63.02(64) 4_565 1_555 3_664 C62 H122 H52 88.22(78) 4_565 1_555 4_555 C62 H122 N11 72.73(60) 4_565 1_555 3_664 C62 H122 C12 114.41(70) 4_565 1_555 1_555 C62 H122 H112 129.6(19) 4_565 1_555 2_554 C62 H122 H121 56.22(98) 4_565 1_555 1_555 C62 H122 N12 91.9(10) 4_565 1_555 1_555 H111 H122 C62 150.1(11) 2_554 1_555 4_565 H111 H122 H111 91.15(93) 2_554 1_555 3_664 H111 H122 C12 165.49(78) 2_554 1_555 4_565 H111 H122 N11 19.54(28) 2_554 1_555 2_554 H111 H122 H51 58.53(93) 2_554 1_555 3_674 H111 H122 C61 52.01(65) 2_554 1_555 3_664 H111 H122 C62 66.68(62) 2_554 1_555 1_555 H111 H122 C11 57.52(73) 2_554 1_555 3_664 H111 H122 H62 51.21(64) 2_554 1_555 1_555 H111 H122 H61 70.46(81) 2_554 1_555 3_664 H111 H122 H112 107.3(12) 2_554 1_555 3_664 H111 H122 H52 118.2(14) 2_554 1_555 4_555 H111 H122 N11 87.5(10) 2_554 1_555 3_664 H111 H122 C12 87.65(65) 2_554 1_555 1_555 H111 H122 H112 30.90(81) 2_554 1_555 2_554 H111 H122 H121 124.36(83) 2_554 1_555 1_555 H111 H122 N12 94.92(90) 2_554 1_555 1_555 N12 H122 H111 140.6(11) 4_565 1_555 2_554 N12 H122 C62 46.10(31) 4_565 1_555 4_565 N12 H122 H111 66.19(77) 4_565 1_555 3_664 N12 H122 C12 26.20(13) 4_565 1_555 4_565 N12 H122 N11 157.54(79) 4_565 1_555 2_554 N12 H122 H51 117.54(74) 4_565 1_555 3_674 N12 H122 C61 89.4(11) 4_565 1_555 3_664 N12 H122 C62 121.1(12) 4_565 1_555 1_555 N12 H122 C11 85.63(76) 4_565 1_555 3_664 N12 H122 H62 119.1(13) 4_565 1_555 1_555 N12 H122 H61 75.1(12) 4_565 1_555 3_664 N12 H122 H112 37.00(78) 4_565 1_555 3_664 N12 H122 H52 52.26(97) 4_565 1_555 4_555 N12 H122 N11 62.30(88) 4_565 1_555 3_664 N12 H122 C12 118.64(83) 4_565 1_555 1_555 N12 H122 H112 161.5(10) 4_565 1_555 2_554 N12 H122 H121 94.2(11) 4_565 1_555 1_555 N12 H122 N12 124.02(99) 4_565 1_555 1_555 C52 H122 N12 57.71(88) 4_555 1_555 4_565 C52 H122 H111 112.3(11) 4_555 1_555 2_554 C52 H122 C62 94.36(70) 4_555 1_555 4_565 C52 H122 H111 115.3(11) 4_555 1_555 3_664 C52 H122 C12 67.48(72) 4_555 1_555 4_565 C52 H122 N11 125.8(10) 4_555 1_555 2_554 C52 H122 H51 161.6(12) 4_555 1_555 3_674 C52 H122 C61 77.6(10) 4_555 1_555 3_664 C52 H122 C62 63.54(36) 4_555 1_555 1_555 C52 H122 C11 101.1(13) 4_555 1_555 3_664 C52 H122 H62 65.26(51) 4_555 1_555 1_555 C52 H122 H61 54.23(84) 4_555 1_555 3_664 C52 H122 H112 79.9(12) 4_555 1_555 3_664 C52 H122 H52 6.15(29) 4_555 1_555 4_555 C52 H122 N11 103.8(14) 4_555 1_555 3_664 C52 H122 C12 71.70(40) 4_555 1_555 1_555 C52 H122 H112 134.9(14) 4_555 1_555 2_554 C52 H122 H121 104.66(72) 4_555 1_555 1_555 C52 H122 N12 102.78(66) 4_555 1_555 1_555 H31 H22 C22 152.84(96) 4_465 1_555 1_555 C12 H22 H31 165.0(12) 1_555 1_555 4_465 C12 H22 C22 35.15(23) 1_555 1_555 1_555 C32 H22 C12 69.44(25) 1_555 1_555 1_555 C32 H22 H31 120.12(94) 1_555 1_555 4_465 C32 H22 C22 34.29(36) 1_555 1_555 1_555 H121 H22 C32 123.72(38) 1_555 1_555 1_555 H121 H22 C12 54.28(28) 1_555 1_555 1_555 H121 H22 H31 114.96(97) 1_555 1_555 4_465 H121 H22 C22 89.43(39) 1_555 1_555 1_555 H32 H22 H121 150.01(44) 1_555 1_555 1_555 H32 H22 C32 26.30(16) 1_555 1_555 1_555 H32 H22 C12 95.74(35) 1_555 1_555 1_555 H32 H22 H31 94.37(96) 1_555 1_555 4_465 H32 H22 C22 60.59(49) 1_555 1_555 1_555 H52 H22 H32 111.63(81) 1_565 1_555 1_555 H52 H22 H121 62.60(96) 1_565 1_555 1_555 H52 H22 C32 101.64(61) 1_565 1_555 1_555 H52 H22 C12 70.97(53) 1_565 1_555 1_555 H52 H22 H31 115.22(89) 1_565 1_555 4_465 H52 H22 C22 85.86(37) 1_565 1_555 1_555 C31 H22 H52 126.36(97) 4_465 1_555 1_565 C31 H22 H32 72.14(68) 4_465 1_555 1_555 C31 H22 H121 136.45(74) 4_465 1_555 1_555 C31 H22 C32 97.65(67) 4_465 1_555 1_555 C31 H22 C12 161.27(63) 4_465 1_555 1_555 C31 H22 H31 22.50(31) 4_465 1_555 4_465 C31 H22 C22 130.67(78) 4_465 1_555 1_555 C52 H22 C31 106.18(71) 1_565 1_555 4_465 C52 H22 H52 24.17(20) 1_565 1_555 1_565 C52 H22 H32 122.01(80) 1_565 1_555 1_555 C52 H22 H121 65.91(89) 1_565 1_555 1_555 C52 H22 C32 121.11(65) 1_565 1_555 1_555 C52 H22 C12 92.31(58) 1_565 1_555 1_555 C52 H22 H31 91.72(73) 1_565 1_555 4_465 C52 H22 C22 110.00(48) 1_565 1_555 1_555 N12 H22 C52 71.93(71) 1_555 1_555 1_565 N12 H22 C31 158.98(78) 1_555 1_555 4_465 N12 H22 H52 58.67(80) 1_555 1_555 1_565 N12 H22 H32 127.27(37) 1_555 1_555 1_555 N12 H22 H121 23.07(13) 1_555 1_555 1_555 N12 H22 C32 101.06(30) 1_555 1_555 1_555 N12 H22 C12 31.92(17) 1_555 1_555 1_555 N12 H22 H31 138.0(10) 1_555 1_555 4_465 N12 H22 C22 66.87(31) 1_555 1_555 1_555 H42 H22 N12 117.49(60) 1_565 1_555 1_555 H42 H22 C52 48.67(42) 1_565 1_555 1_565 H42 H22 C31 69.86(73) 1_565 1_555 4_465 H42 H22 H52 59.00(59) 1_565 1_555 1_565 H42 H22 H32 80.44(59) 1_565 1_555 1_555 H42 H22 H121 114.53(72) 1_565 1_555 1_555 H42 H22 C32 95.04(55) 1_565 1_555 1_555 H42 H22 C12 123.26(52) 1_565 1_555 1_555 H42 H22 H31 69.45(97) 1_565 1_555 4_465 H42 H22 C22 112.58(56) 1_565 1_555 1_555 C42 H22 H42 23.12(22) 1_565 1_555 1_565 C42 H22 N12 102.60(67) 1_565 1_555 1_555 C42 H22 C52 30.70(22) 1_565 1_555 1_565 C42 H22 C31 77.15(66) 1_565 1_555 4_465 C42 H22 H52 49.43(40) 1_565 1_555 1_565 C42 H22 H32 103.55(75) 1_565 1_555 1_555 C42 H22 H121 93.83(81) 1_565 1_555 1_555 C42 H22 C32 116.47(70) 1_565 1_555 1_555 C42 H22 C12 120.38(56) 1_565 1_555 1_555 C42 H22 H31 67.56(79) 1_565 1_555 4_465 C42 H22 C22 125.33(55) 1_565 1_555 1_555 H32 H22 C42 116.46(55) 4_565 1_555 1_565 H32 H22 H42 125.58(59) 4_565 1_555 1_565 H32 H22 N12 99.74(55) 4_565 1_555 1_555 H32 H22 C52 122.69(67) 4_565 1_555 1_565 H32 H22 C31 63.02(48) 4_565 1_555 4_465 H32 H22 H52 140.05(89) 4_565 1_555 1_565 H32 H22 H32 108.07(58) 4_565 1_555 1_555 H32 H22 H121 84.86(59) 4_565 1_555 1_555 H32 H22 C32 116.16(70) 4_565 1_555 1_555 H32 H22 C12 109.53(66) 4_565 1_555 1_555 H32 H22 H31 56.53(80) 4_565 1_555 4_465 H32 H22 C22 118.18(76) 4_565 1_555 1_555 C32 H22 H32 22.46(12) 4_565 1_555 4_565 C32 H22 C42 111.80(57) 4_565 1_555 1_565 C32 H22 H42 129.36(63) 4_565 1_555 1_565 C32 H22 N12 79.55(58) 4_565 1_555 1_555 C32 H22 C52 106.62(65) 4_565 1_555 1_565 C32 H22 C31 81.11(50) 4_565 1_555 4_465 C32 H22 H52 119.17(86) 4_565 1_555 1_565 C32 H22 H32 129.03(59) 4_565 1_555 1_555 C32 H22 H121 62.68(58) 4_565 1_555 1_555 C32 H22 C32 130.13(77) 4_565 1_555 1_555 C32 H22 C12 96.70(72) 4_565 1_555 1_555 C32 H22 H31 68.29(75) 4_565 1_555 4_465 C32 H22 C22 117.81(83) 4_565 1_555 1_555 H41 H22 C32 68.44(51) 4_465 1_555 4_565 H41 H22 H32 46.70(47) 4_465 1_555 4_565 H41 H22 C42 124.41(83) 4_465 1_555 1_565 H41 H22 H42 112.60(89) 4_465 1_555 1_565 H41 H22 N12 129.90(64) 4_465 1_555 1_555 H41 H22 C52 153.00(75) 4_465 1_555 1_565 H41 H22 C31 47.37(37) 4_465 1_555 4_465 H41 H22 H52 170.9(13) 4_465 1_555 1_565 H41 H22 H32 61.41(49) 4_465 1_555 1_555 H41 H22 H121 126.47(70) 4_465 1_555 1_555 H41 H22 C32 74.58(45) 4_465 1_555 1_555 H41 H22 C12 114.46(58) 4_465 1_555 1_555 H41 H22 H31 61.51(57) 4_465 1_555 4_465 H41 H22 C22 94.91(57) 4_465 1_555 1_555 C42 H22 H41 90.40(51) 4_565 1_555 4_465 C42 H22 C32 28.14(20) 4_565 1_555 4_565 C42 H22 H32 44.84(28) 4_565 1_555 4_565 C42 H22 C42 85.06(44) 4_565 1_555 1_565 C42 H22 H42 105.51(56) 4_565 1_555 1_565 C42 H22 N12 76.22(73) 4_565 1_555 1_555 C42 H22 C52 79.14(48) 4_565 1_555 1_565 C42 H22 C31 82.85(50) 4_565 1_555 4_465 C42 H22 H52 95.40(70) 4_565 1_555 1_565 C42 H22 H32 150.64(61) 4_565 1_555 1_555 C42 H22 H121 53.75(68) 4_565 1_555 1_555 C42 H22 C32 158.14(80) 4_565 1_555 1_555 C42 H22 C12 104.02(85) 4_565 1_555 1_555 C42 H22 H31 62.62(63) 4_565 1_555 4_465 C42 H22 C22 135.76(94) 4_565 1_555 1_555 C41 H22 C42 93.72(45) 4_465 1_555 4_565 C41 H22 H41 21.10(17) 4_465 1_555 4_465 C41 H22 C32 79.11(43) 4_465 1_555 4_565 C41 H22 H32 56.80(39) 4_465 1_555 4_565 C41 H22 C42 103.91(76) 4_465 1_555 1_565 C41 H22 H42 91.67(79) 4_465 1_555 1_565 C41 H22 N12 150.65(62) 4_465 1_555 1_555 C41 H22 C52 133.96(82) 4_465 1_555 1_565 C41 H22 C31 28.16(23) 4_465 1_555 4_465 C41 H22 H52 150.6(12) 4_465 1_555 1_565 C41 H22 H32 57.07(49) 4_465 1_555 1_555 C41 H22 H121 141.63(67) 4_465 1_555 1_555 C41 H22 C32 78.04(47) 4_465 1_555 1_555 C41 H22 C12 133.11(54) 4_465 1_555 1_555 C41 H22 H31 46.90(47) 4_465 1_555 4_465 C41 H22 C22 106.49(61) 4_465 1_555 1_555 H42 H22 C41 86.18(48) 4_565 1_555 4_465 H42 H22 C42 20.61(17) 4_565 1_555 4_565 H42 H22 H41 90.23(51) 4_565 1_555 4_465 H42 H22 C32 43.54(32) 4_565 1_555 4_565 H42 H22 H32 52.03(37) 4_565 1_555 4_565 H42 H22 C42 68.40(36) 4_565 1_555 1_565 H42 H22 H42 86.59(51) 4_565 1_555 1_565 H42 H22 N12 92.05(83) 4_565 1_555 1_555 H42 H22 C52 71.31(43) 4_565 1_555 1_565 H42 H22 C31 68.09(47) 4_565 1_555 4_465 H42 H22 H52 92.71(62) 4_565 1_555 1_565 H42 H22 H32 140.23(83) 4_565 1_555 1_555 H42 H22 H121 68.99(81) 4_565 1_555 1_555 H42 H22 C32 164.17(71) 4_565 1_555 1_555 H42 H22 C12 122.44(92) 4_565 1_555 1_555 H42 H22 H31 46.01(51) 4_565 1_555 4_465 H42 H22 C22 156.1(10) 4_565 1_555 1_555 H21 H32 C32 116.98(79) 4_455 1_555 1_555 C22 H32 H21 135.00(87) 1_555 1_555 4_455 C22 H32 C32 36.11(21) 1_555 1_555 1_555 C42 H32 C22 69.28(21) 1_555 1_555 1_555 C42 H32 H21 93.64(71) 1_555 1_555 4_455 C42 H32 C32 33.17(27) 1_555 1_555 1_555 H41 H32 C42 138.89(80) 1_455 1_555 1_555 H41 H32 C22 127.94(87) 1_455 1_555 1_555 H41 H32 H21 92.70(93) 1_455 1_555 4_455 H41 H32 C32 146.56(66) 1_455 1_555 1_555 H31 H32 H41 68.53(61) 1_455 1_555 1_455 H31 H32 C42 73.77(56) 1_455 1_555 1_555 H31 H32 C22 131.82(54) 1_455 1_555 1_555 H31 H32 H21 76.0(10) 1_455 1_555 4_455 H31 H32 C32 102.35(65) 1_455 1_555 1_555 H22 H32 H31 147.33(55) 1_555 1_555 1_455 H22 H32 H41 107.33(90) 1_555 1_555 1_455 H22 H32 C42 95.54(15) 1_555 1_555 1_555 H22 H32 C22 26.26(17) 1_555 1_555 1_555 H22 H32 H21 136.26(96) 1_555 1_555 4_455 H22 H32 C32 62.37(30) 1_555 1_555 1_555 H42 H32 H22 120.42(16) 1_555 1_555 1_555 H42 H32 H31 53.27(57) 1_555 1_555 1_455 H42 H32 H41 121.80(86) 1_555 1_555 1_455 H42 H32 C42 24.88(11) 1_555 1_555 1_555 H42 H32 C22 94.16(25) 1_555 1_555 1_555 H42 H32 H21 75.50(74) 1_555 1_555 4_455 H42 H32 C32 58.05(35) 1_555 1_555 1_555 C41 H32 H42 140.64(59) 4_465 1_555 1_555 C41 H32 H22 72.23(66) 4_465 1_555 1_555 C41 H32 H31 135.56(75) 4_465 1_555 1_455 C41 H32 H41 82.33(42) 4_465 1_555 1_455 C41 H32 C42 138.03(65) 4_465 1_555 1_555 C41 H32 C22 92.51(73) 4_465 1_555 1_555 C41 H32 H21 72.52(72) 4_465 1_555 4_455 C41 H32 C32 119.61(76) 4_465 1_555 1_555 H41 H32 C41 23.30(17) 4_465 1_555 4_465 H41 H32 H42 122.38(57) 4_465 1_555 1_555 H41 H32 H22 66.13(57) 4_465 1_555 1_555 H41 H32 H31 146.46(81) 4_465 1_555 1_455 H41 H32 H41 105.61(54) 4_465 1_555 1_455 H41 H32 C42 114.88(59) 4_465 1_555 1_555 H41 H32 C22 78.85(61) 4_465 1_555 1_555 H41 H32 H21 71.21(91) 4_465 1_555 4_455 H41 H32 C32 98.74(64) 4_465 1_555 1_555 H22 H32 H41 165.71(90) 4_465 1_555 4_465 H22 H32 C41 147.55(83) 4_465 1_555 4_465 H22 H32 H42 70.32(55) 4_465 1_555 1_555 H22 H32 H22 102.49(45) 4_465 1_555 1_555 H22 H32 H31 45.08(55) 4_465 1_555 1_455 H22 H32 H41 68.49(59) 4_465 1_555 1_455 H22 H32 C42 73.55(56) 4_465 1_555 1_555 H22 H32 C22 94.44(44) 4_465 1_555 1_555 H22 H32 H21 121.11(96) 4_465 1_555 4_455 H22 H32 C32 82.34(52) 4_465 1_555 1_555 C41 H32 H22 66.50(44) 1_455 1_555 4_465 C41 H32 H41 113.15(49) 1_455 1_555 4_465 C41 H32 C41 91.61(40) 1_455 1_555 4_465 C41 H32 H42 102.68(71) 1_455 1_555 1_555 C41 H32 H22 129.31(74) 1_455 1_555 1_555 C41 H32 H31 50.49(41) 1_455 1_555 1_455 C41 H32 H41 22.01(23) 1_455 1_555 1_455 C41 H32 C42 124.22(72) 1_455 1_555 1_555 C41 H32 C22 147.71(68) 1_455 1_555 1_555 C41 H32 H21 76.49(88) 1_455 1_555 4_455 C41 H32 C32 148.09(65) 1_455 1_555 1_555 C31 H32 C41 29.69(23) 1_455 1_555 1_455 C31 H32 H22 56.09(44) 1_455 1_555 4_465 C31 H32 H41 130.84(61) 1_455 1_555 4_465 C31 H32 C41 114.66(56) 1_455 1_555 4_465 C31 H32 H42 72.99(58) 1_455 1_555 1_555 C31 H32 H22 151.63(59) 1_455 1_555 1_555 C31 H32 H31 22.11(22) 1_455 1_555 1_455 C31 H32 H41 50.18(44) 1_455 1_555 1_455 C31 H32 C42 95.26(60) 1_455 1_555 1_555 C31 H32 C22 150.18(51) 1_455 1_555 1_555 C31 H32 H21 68.87(89) 1_455 1_555 4_455 C31 H32 C32 124.42(67) 1_455 1_555 1_555 C21 H32 C31 73.07(59) 4_455 1_555 1_455 C21 H32 C41 84.68(63) 4_455 1_555 1_455 C21 H32 H22 120.80(69) 4_455 1_555 4_465 C21 H32 H41 72.70(57) 4_455 1_555 4_465 C21 H32 C41 77.99(48) 4_455 1_555 4_465 C21 H32 H42 67.29(45) 4_455 1_555 1_555 C21 H32 H22 134.20(55) 4_455 1_555 1_555 C21 H32 H31 76.38(73) 4_455 1_555 1_455 C21 H32 H41 102.14(76) 4_455 1_555 1_455 C21 H32 C42 83.94(45) 4_455 1_555 1_555 C21 H32 C22 127.46(51) 4_455 1_555 1_555 C21 H32 H21 10.22(33) 4_455 1_555 4_455 C21 H32 C32 106.81(53) 4_455 1_555 1_555 C31 H32 C21 105.43(55) 4_465 1_555 4_455 C31 H32 C31 115.86(57) 4_465 1_555 1_455 C31 H32 C41 86.60(43) 4_465 1_555 1_455 C31 H32 H22 121.99(81) 4_465 1_555 4_465 C31 H32 H41 44.97(32) 4_465 1_555 4_465 C31 H32 C41 28.51(21) 4_465 1_555 4_465 C31 H32 H42 167.22(66) 4_465 1_555 1_555 C31 H32 H22 56.42(71) 4_465 1_555 1_555 C31 H32 H31 137.02(74) 4_465 1_555 1_455 C31 H32 H41 69.21(39) 4_465 1_555 1_455 C31 H32 C42 148.85(77) 4_465 1_555 1_555 C31 H32 C22 81.99(79) 4_465 1_555 1_555 C31 H32 H21 98.57(76) 4_465 1_555 4_455 C31 H32 C32 117.25(87) 4_465 1_555 1_555 H31 H32 C31 112.34(63) 4_455 1_555 4_465 H31 H32 C21 40.67(26) 4_455 1_555 4_455 H31 H32 C31 105.14(61) 4_455 1_555 1_455 H31 H32 C41 124.45(70) 4_455 1_555 1_455 H31 H32 H22 125.42(73) 4_455 1_555 4_465 H31 H32 H41 67.39(47) 4_455 1_555 4_465 H31 H32 C41 86.47(52) 4_455 1_555 4_465 H31 H32 H42 55.15(37) 4_455 1_555 1_555 H31 H32 H22 102.70(42) 4_455 1_555 1_555 H31 H32 H31 96.79(65) 4_455 1_555 1_455 H31 H32 H41 142.78(81) 4_455 1_555 1_455 H31 H32 C42 56.48(35) 4_455 1_555 1_555 H31 H32 C22 87.77(41) 4_455 1_555 1_555 H31 H32 H21 50.10(57) 4_455 1_555 4_455 H31 H32 C32 68.24(39) 4_455 1_555 1_555 C51 H32 H31 85.27(48) 4_465 1_555 4_455 C51 H32 C31 45.89(27) 4_465 1_555 4_465 C51 H32 C21 61.31(37) 4_465 1_555 4_455 C51 H32 C31 90.23(48) 4_465 1_555 1_455 C51 H32 C41 71.64(34) 4_465 1_555 1_455 C51 H32 H22 137.33(50) 4_465 1_555 4_465 C51 H32 H41 42.09(25) 4_465 1_555 4_465 C51 H32 C41 25.61(17) 4_465 1_555 4_465 C51 H32 H42 128.56(55) 4_465 1_555 1_555 C51 H32 H22 97.41(65) 4_465 1_555 1_555 C51 H32 H31 110.21(68) 4_465 1_555 1_455 C51 H32 H41 69.67(42) 4_465 1_555 1_455 C51 H32 C42 141.48(56) 4_465 1_555 1_555 C51 H32 C22 117.96(70) 4_465 1_555 1_555 C51 H32 H21 53.21(56) 4_465 1_555 4_455 C51 H32 C32 140.11(66) 4_465 1_555 1_555 H31 H32 C51 63.85(36) 4_465 1_555 4_465 H31 H32 H31 113.37(75) 4_465 1_555 4_455 H31 H32 C31 19.30(15) 4_465 1_555 4_465 H31 H32 C21 119.60(66) 4_465 1_555 4_455 H31 H32 C31 130.25(59) 4_465 1_555 1_455 H31 H32 C41 100.64(47) 4_465 1_555 1_455 H31 H32 H22 116.01(77) 4_465 1_555 4_465 H31 H32 H41 49.70(42) 4_465 1_555 4_465 H31 H32 C41 42.07(34) 4_465 1_555 4_465 H31 H32 H42 156.27(72) 4_465 1_555 1_555 H31 H32 H22 37.28(67) 4_465 1_555 1_555 H31 H32 H31 147.86(74) 4_465 1_555 1_455 H31 H32 H41 80.40(44) 4_465 1_555 1_455 H31 H32 C42 131.95(74) 4_465 1_555 1_555 H31 H32 C22 63.22(75) 4_465 1_555 1_555 H31 H32 H21 114.59(92) 4_465 1_555 4_455 H31 H32 C32 99.07(85) 4_465 1_555 1_555 C52 H42 C42 33.75(11) 1_555 1_555 1_555 C32 H42 C52 67.50(22) 1_555 1_555 1_555 C32 H42 C42 33.75(11) 1_555 1_555 1_555 H31 H42 C32 78.44(72) 1_455 1_555 1_555 H31 H42 C52 133.12(66) 1_455 1_555 1_555 H31 H42 C42 106.89(70) 1_455 1_555 1_555 H52 H42 H31 146.14(57) 1_555 1_555 1_455 H52 H42 C32 92.35(24) 1_555 1_555 1_555 H52 H42 C52 24.85(12) 1_555 1_555 1_555 H52 H42 C42 58.60(16) 1_555 1_555 1_555 H32 H42 H52 117.19(32) 1_555 1_555 1_555 H32 H42 H31 58.16(74) 1_555 1_555 1_455 H32 H42 C32 24.85(12) 1_555 1_555 1_555 H32 H42 C52 92.35(24) 1_555 1_555 1_555 H32 H42 C42 58.60(16) 1_555 1_555 1_555 H22 H42 H32 112.14(48) 1_545 1_555 1_555 H22 H42 H52 57.29(57) 1_545 1_555 1_555 H22 H42 H31 156.01(67) 1_545 1_555 1_455 H22 H42 C32 99.67(52) 1_545 1_555 1_555 H22 H42 C52 64.60(59) 1_545 1_555 1_555 H22 H42 C42 80.97(57) 1_545 1_555 1_555 H31 H42 H22 43.14(57) 4_455 1_555 1_545 H31 H42 H32 74.18(50) 4_455 1_555 1_555 H31 H42 H52 92.33(47) 4_455 1_555 1_555 H31 H42 H31 115.32(63) 4_455 1_555 1_455 H31 H42 C32 73.31(47) 4_455 1_555 1_555 H31 H42 C52 85.23(46) 4_455 1_555 1_555 H31 H42 C42 77.14(44) 4_455 1_555 1_555 H21 H42 H31 52.78(41) 4_455 1_555 4_455 H21 H42 H22 95.27(58) 4_455 1_555 1_545 H21 H42 H32 41.68(57) 4_455 1_555 1_555 H21 H42 H52 139.76(64) 4_455 1_555 1_555 H21 H42 H31 62.57(44) 4_455 1_555 1_455 H21 H42 C32 61.42(61) 4_455 1_555 1_555 H21 H42 C52 120.31(65) 4_455 1_555 1_555 H21 H42 C42 90.90(64) 4_455 1_555 1_555 H41 H42 H21 73.22(56) 1_445 1_555 4_455 H41 H42 H31 80.90(41) 1_445 1_555 4_455 H41 H42 H22 85.11(46) 1_445 1_555 1_545 H41 H42 H32 112.25(52) 1_445 1_555 1_555 H41 H42 H52 125.90(57) 1_445 1_555 1_555 H41 H42 H31 79.86(48) 1_445 1_555 1_455 H41 H42 C32 134.62(47) 1_445 1_555 1_555 H41 H42 C52 146.89(59) 1_445 1_555 1_555 H41 H42 C42 157.83(46) 1_445 1_555 1_555 C22 H42 H41 65.35(48) 4_455 1_555 1_445 C22 H42 H21 135.64(68) 4_455 1_555 4_455 C22 H42 H31 130.28(72) 4_455 1_555 4_455 C22 H42 H22 96.33(44) 4_455 1_555 1_545 C22 H42 H32 151.33(71) 4_455 1_555 1_555 C22 H42 H52 80.55(69) 4_455 1_555 1_555 C22 H42 H31 94.26(55) 4_455 1_555 1_455 C22 H42 C32 155.24(57) 4_455 1_555 1_555 C22 H42 C52 103.30(66) 4_455 1_555 1_555 C22 H42 C42 133.19(63) 4_455 1_555 1_555 C12 H42 C22 27.58(27) 4_455 1_555 4_455 C12 H42 H41 91.23(55) 4_455 1_555 1_445 C12 H42 H21 163.21(75) 4_455 1_555 4_455 C12 H42 H31 132.30(67) 4_455 1_555 4_455 C12 H42 H22 89.54(43) 4_455 1_555 1_545 C12 H42 H32 148.60(55) 4_455 1_555 1_555 C12 H42 H52 55.21(61) 4_455 1_555 1_555 C12 H42 H31 109.25(54) 4_455 1_555 1_455 C12 H42 C32 133.57(62) 4_455 1_555 1_555 C12 H42 C52 76.24(62) 4_455 1_555 1_555 C12 H42 C42 105.75(63) 4_455 1_555 1_555 C32 H42 C12 48.14(28) 4_455 1_555 4_455 C32 H42 C22 27.48(17) 4_455 1_555 4_455 C32 H42 H41 62.69(38) 4_455 1_555 1_445 C32 H42 H21 116.75(63) 4_455 1_555 4_455 C32 H42 H31 142.97(59) 4_455 1_555 4_455 C32 H42 H22 121.81(50) 4_455 1_555 1_545 C32 H42 H32 124.30(70) 4_455 1_555 1_555 C32 H42 H52 103.22(55) 4_455 1_555 1_555 C32 H42 H31 66.79(52) 4_455 1_555 1_455 C32 H42 C32 137.82(67) 4_455 1_555 1_555 C32 H42 C52 121.54(46) 4_455 1_555 1_555 C32 H42 C42 139.48(46) 4_455 1_555 1_555 C31 H42 C32 124.10(47) 4_455 1_555 4_455 C31 H42 C12 133.59(64) 4_455 1_555 4_455 C31 H42 C22 119.69(60) 4_455 1_555 4_455 C31 H42 H41 61.42(35) 4_455 1_555 1_445 C31 H42 H21 43.55(29) 4_455 1_555 4_455 C31 H42 H31 20.87(13) 4_455 1_555 4_455 C31 H42 H22 53.96(50) 4_455 1_555 1_545 C31 H42 H32 77.48(42) 4_455 1_555 1_555 C31 H42 H52 109.46(45) 4_455 1_555 1_555 C31 H42 H31 102.19(56) 4_455 1_555 1_455 C31 H42 C32 85.06(42) 4_455 1_555 1_555 C31 H42 C52 105.77(44) 4_455 1_555 1_555 C31 H42 C42 96.41(43) 4_455 1_555 1_555 C21 H42 C31 26.87(15) 4_455 1_555 4_455 C21 H42 C32 112.67(47) 4_455 1_555 4_455 C21 H42 C12 147.52(69) 4_455 1_555 4_455 C21 H42 C22 122.58(58) 4_455 1_555 4_455 C21 H42 H41 57.25(46) 4_455 1_555 1_445 C21 H42 H21 20.81(15) 4_455 1_555 4_455 C21 H42 H31 43.00(25) 4_455 1_555 4_455 C21 H42 H22 80.83(53) 4_455 1_555 1_545 C21 H42 H32 61.89(50) 4_455 1_555 1_555 C21 H42 H52 135.25(48) 4_455 1_555 1_555 C21 H42 H31 75.33(47) 4_455 1_555 1_455 C21 H42 C32 78.82(51) 4_455 1_555 1_555 C21 H42 C52 125.11(51) 4_455 1_555 1_555 C21 H42 C42 103.25(52) 4_455 1_555 1_555 H22 H42 C21 107.38(58) 4_465 1_555 4_455 H22 H42 C31 131.64(59) 4_465 1_555 4_455 H22 H42 C32 75.70(60) 4_465 1_555 4_455 H22 H42 C12 93.53(53) 4_465 1_555 4_455 H22 H42 C22 96.90(59) 4_465 1_555 4_455 H22 H42 H41 117.60(68) 4_465 1_555 1_445 H22 H42 H21 88.33(59) 4_465 1_555 4_455 H22 H42 H31 131.78(68) 4_465 1_555 4_455 H22 H42 H22 156.97(79) 4_465 1_555 1_545 H22 H42 H32 57.65(31) 4_465 1_555 1_555 H22 H42 H52 106.67(46) 4_465 1_555 1_555 H22 H42 H31 40.33(69) 4_465 1_555 1_455 H22 H42 C32 62.26(26) 4_465 1_555 1_555 H22 H42 C52 93.98(43) 4_465 1_555 1_555 H22 H42 C42 76.22(33) 4_465 1_555 1_555 H121 H42 H22 45.78(41) 4_465 1_555 4_465 H121 H42 C21 136.27(77) 4_465 1_555 4_455 H121 H42 C31 140.58(78) 4_465 1_555 4_455 H121 H42 C32 94.75(74) 4_465 1_555 4_455 H121 H42 C12 75.94(59) 4_465 1_555 4_455 H121 H42 C22 97.62(74) 4_465 1_555 4_455 H121 H42 H41 156.73(78) 4_465 1_555 1_445 H121 H42 H21 116.27(78) 4_465 1_555 4_455 H121 H42 H31 122.09(76) 4_465 1_555 4_455 H121 H42 H22 113.63(71) 4_465 1_555 1_545 H121 H42 H32 74.61(55) 4_465 1_555 1_555 H121 H42 H52 61.84(40) 4_465 1_555 1_555 H121 H42 H31 86.09(69) 4_465 1_555 1_455 H121 H42 C32 58.60(56) 4_465 1_555 1_555 H121 H42 C52 49.04(34) 4_465 1_555 1_555 H121 H42 C42 44.97(46) 4_465 1_555 1_555 C31 H42 H121 94.73(55) 1_455 1_555 4_465 C31 H42 H22 49.22(55) 1_455 1_555 4_465 C31 H42 C21 66.02(34) 1_455 1_555 4_455 C31 H42 C31 92.82(41) 1_455 1_555 4_455 C31 H42 C32 70.22(37) 1_455 1_555 4_455 C31 H42 C12 115.54(40) 1_455 1_555 4_455 C31 H42 C22 97.26(41) 1_455 1_555 4_455 C31 H42 H41 73.11(32) 1_455 1_555 1_445 C31 H42 H21 54.53(39) 1_455 1_555 4_455 C31 H42 H31 106.94(52) 1_455 1_555 4_455 C31 H42 H22 146.46(56) 1_455 1_555 1_545 C31 H42 H32 56.95(53) 1_455 1_555 1_555 C31 H42 H52 155.62(45) 1_455 1_555 1_555 C31 H42 H31 9.61(20) 1_455 1_555 1_455 C31 H42 C32 79.49(52) 1_455 1_555 1_555 C31 H42 C52 139.95(50) 1_455 1_555 1_555 C31 H42 C42 110.53(51) 1_455 1_555 1_555 C62 H42 C31 104.36(38) 4_455 1_555 1_455 C62 H42 H121 51.75(55) 4_455 1_555 4_465 C62 H42 H22 69.79(49) 4_455 1_555 4_465 C62 H42 C21 165.96(54) 4_455 1_555 4_455 C62 H42 C31 158.55(63) 4_455 1_555 4_455 C62 H42 C32 53.35(28) 4_455 1_555 4_455 C62 H42 C12 25.94(21) 4_455 1_555 4_455 C62 H42 C22 46.28(42) 4_455 1_555 4_455 C62 H42 H41 111.08(54) 4_455 1_555 1_445 C62 H42 H21 157.32(61) 4_455 1_555 4_455 C62 H42 H31 148.59(51) 4_455 1_555 4_455 C62 H42 H22 107.19(48) 4_455 1_555 1_545 C62 H42 H32 122.66(55) 4_455 1_555 1_555 C62 H42 H52 56.81(32) 4_455 1_555 1_555 C62 H42 H31 95.67(51) 4_455 1_555 1_455 C62 H42 C32 110.35(53) 4_455 1_555 1_555 C62 H42 C52 68.90(35) 4_455 1_555 1_555 C62 H42 C42 89.58(45) 4_455 1_555 1_555 C22 H42 C62 93.53(43) 1_545 1_555 4_455 C22 H42 C31 150.75(39) 1_545 1_555 1_455 C22 H42 H121 114.50(55) 1_545 1_555 4_465 C22 H42 H22 159.46(70) 1_545 1_555 4_465 C22 H42 C21 91.66(42) 1_545 1_555 4_455 C22 H42 C31 65.75(42) 1_545 1_555 4_455 C22 H42 C32 104.44(45) 1_545 1_555 4_455 C22 H42 C12 73.00(34) 1_545 1_555 4_455 C22 H42 C22 78.46(37) 1_545 1_555 4_455 C22 H42 H41 78.96(36) 1_545 1_555 1_445 C22 H42 H21 109.10(48) 1_545 1_555 4_455 C22 H42 H31 59.30(52) 1_545 1_555 4_455 C22 H42 H22 17.93(14) 1_545 1_555 1_545 C22 H42 H32 130.06(50) 1_545 1_555 1_555 C22 H42 H52 52.95(46) 1_545 1_555 1_555 C22 H42 H31 158.75(55) 1_545 1_555 1_455 C22 H42 C32 116.00(54) 1_545 1_555 1_555 C22 H42 C52 68.12(49) 1_545 1_555 1_555 C22 H42 C42 92.26(52) 1_545 1_555 1_555 C42 H42 C22 124.37(44) 4_455 1_555 1_545 C42 H42 C62 44.73(17) 4_455 1_555 4_455 C42 H42 C31 62.02(33) 4_455 1_555 1_455 C42 H42 H121 71.85(70) 4_455 1_555 4_465 C42 H42 H22 50.99(52) 4_455 1_555 4_465 C42 H42 C21 122.43(40) 4_455 1_555 4_455 C42 H42 C31 143.43(37) 4_455 1_555 4_455 C42 H42 C32 25.777(83) 4_455 1_555 4_455 C42 H42 C12 54.40(21) 4_455 1_555 4_455 C42 H42 C22 46.72(18) 4_455 1_555 4_455 C42 H42 H41 84.89(38) 4_455 1_555 1_445 C42 H42 H21 116.32(58) 4_455 1_555 4_455 C42 H42 H31 164.25(41) 4_455 1_555 4_455 C42 H42 H22 142.22(51) 4_455 1_555 1_545 C42 H42 H32 105.38(60) 4_455 1_555 1_555 C42 H42 H52 101.52(40) 4_455 1_555 1_555 C42 H42 H31 54.93(48) 4_455 1_555 1_455 C42 H42 C32 113.10(59) 4_455 1_555 1_555 C42 H42 C52 110.47(35) 4_455 1_555 1_555 C42 H42 C42 116.50(47) 4_455 1_555 1_555 C62 H52 C52 36.11(21) 1_555 1_555 1_555 C42 H52 C62 69.28(21) 1_555 1_555 1_555 C42 H52 C52 33.17(27) 1_555 1_555 1_555 H122 H52 C42 142.4(10) 4_455 1_555 1_555 H122 H52 C62 140.0(13) 4_455 1_555 1_555 H122 H52 C52 161.26(82) 4_455 1_555 1_555 H61 H52 H122 68.00(95) 2_544 1_555 4_455 H61 H52 C42 124.73(88) 2_544 1_555 1_555 H61 H52 C62 72.66(93) 2_544 1_555 1_555 H61 H52 C52 100.64(98) 2_544 1_555 1_555 H62 H52 H61 54.08(85) 1_555 1_555 2_544 H62 H52 H122 116.1(13) 1_555 1_555 4_455 H62 H52 C42 95.54(14) 1_555 1_555 1_555 H62 H52 C62 26.26(17) 1_555 1_555 1_555 H62 H52 C52 62.37(30) 1_555 1_555 1_555 H22 H52 H62 111.01(76) 1_545 1_555 1_555 H22 H52 H61 156.6(12) 1_545 1_555 2_544 H22 H52 H122 112.3(11) 1_545 1_555 4_455 H22 H52 C42 70.35(53) 1_545 1_555 1_555 H22 H52 C62 100.80(53) 1_545 1_555 1_555 H22 H52 C52 84.12(34) 1_545 1_555 1_555 N12 H52 H22 63.75(68) 1_545 1_555 1_545 N12 H52 H62 75.37(60) 1_545 1_555 1_555 N12 H52 H61 93.56(83) 1_545 1_555 2_544 N12 H52 H122 84.38(44) 1_545 1_555 4_455 N12 H52 C42 125.13(54) 1_545 1_555 1_555 N12 H52 C62 91.06(59) 1_545 1_555 1_555 N12 H52 C52 111.93(56) 1_545 1_555 1_555 H42 H52 N12 127.26(59) 1_555 1_555 1_545 H42 H52 H22 63.71(75) 1_555 1_555 1_545 H42 H52 H62 120.42(16) 1_555 1_555 1_555 H42 H52 H61 137.86(81) 1_555 1_555 2_544 H42 H52 H122 120.0(11) 1_555 1_555 4_455 H42 H52 C42 24.88(11) 1_555 1_555 1_555 H42 H52 C62 94.16(25) 1_555 1_555 1_555 H42 H52 C52 58.05(35) 1_555 1_555 1_555 H121 H52 H42 113.59(61) 1_545 1_555 1_555 H121 H52 N12 23.68(34) 1_545 1_555 1_545 H121 H52 H22 56.79(69) 1_545 1_555 1_545 H121 H52 H62 63.40(51) 1_545 1_555 1_555 H121 H52 H61 100.25(97) 1_545 1_555 2_544 H121 H52 H122 107.96(69) 1_545 1_555 4_455 H121 H52 C42 104.09(50) 1_545 1_555 1_555 H121 H52 C62 71.79(38) 1_545 1_555 1_555 H121 H52 C52 88.32(39) 1_545 1_555 1_555 C12 H52 H121 146.05(69) 4_455 1_555 1_545 C12 H52 H42 71.09(59) 4_455 1_555 1_555 C12 H52 N12 125.93(61) 4_455 1_555 1_545 C12 H52 H22 103.0(11) 4_455 1_555 1_545 C12 H52 H62 145.71(65) 4_455 1_555 1_555 C12 H52 H61 94.76(63) 4_455 1_555 2_544 C12 H52 H122 50.73(70) 4_455 1_555 4_455 C12 H52 C42 91.66(61) 4_455 1_555 1_555 C12 H52 C62 142.11(61) 4_455 1_555 1_555 C12 H52 C52 118.67(69) 4_455 1_555 1_555 N12 H52 C12 31.22(43) 4_455 1_555 4_455 N12 H52 H121 119.64(56) 4_455 1_555 1_545 N12 H52 H42 97.56(86) 4_455 1_555 1_555 N12 H52 N12 96.74(38) 4_455 1_555 1_545 N12 H52 H22 101.36(98) 4_455 1_555 1_545 N12 H52 H62 137.88(93) 4_455 1_555 1_555 N12 H52 H61 86.02(69) 4_455 1_555 2_544 N12 H52 H122 22.59(42) 4_455 1_555 4_455 N12 H52 C42 120.92(87) 4_455 1_555 1_555 N12 H52 C62 157.74(87) 4_455 1_555 1_555 N12 H52 C52 149.89(85) 4_455 1_555 1_555 C22 H52 N12 79.88(80) 1_545 1_555 4_455 C22 H52 C12 89.96(96) 1_545 1_555 4_455 C22 H52 H121 60.55(62) 1_545 1_555 1_545 C22 H52 H42 76.97(67) 1_545 1_555 1_555 C22 H52 N12 56.22(51) 1_545 1_555 1_545 C22 H52 H22 23.94(19) 1_545 1_555 1_545 C22 H52 H62 123.37(78) 1_545 1_555 1_555 C22 H52 H61 144.22(86) 1_545 1_555 2_544 C22 H52 H122 88.5(10) 1_545 1_555 4_455 C22 H52 C42 90.46(54) 1_545 1_555 1_555 C22 H52 C62 121.36(61) 1_545 1_555 1_555 C22 H52 C52 108.03(46) 1_545 1_555 1_555 C12 H52 C22 30.31(30) 1_545 1_555 1_545 C12 H52 N12 75.92(51) 1_545 1_555 4_455 C12 H52 C12 99.47(81) 1_545 1_555 4_455 C12 H52 H121 46.59(50) 1_545 1_555 1_545 C12 H52 H42 107.28(66) 1_545 1_555 1_555 C12 H52 N12 30.97(28) 1_545 1_555 1_545 C12 H52 H22 48.29(44) 1_545 1_555 1_545 C12 H52 H62 106.19(78) 1_545 1_555 1_555 C12 H52 H61 114.25(78) 1_545 1_555 2_544 C12 H52 H122 73.32(67) 1_545 1_555 4_455 C12 H52 C42 118.61(56) 1_545 1_555 1_555 C12 H52 C62 118.36(72) 1_545 1_555 1_555 C12 H52 C52 125.42(51) 1_545 1_555 1_555 H62 H52 C12 132.63(83) 4_455 1_555 1_545 H62 H52 C22 136.1(12) 4_455 1_555 1_545 H62 H52 N12 58.95(52) 4_455 1_555 4_455 H62 H52 C12 47.01(34) 4_455 1_555 4_455 H62 H52 H121 152.73(88) 4_455 1_555 1_545 H62 H52 H42 93.02(51) 4_455 1_555 1_555 H62 H52 N12 136.91(57) 4_455 1_555 1_545 H62 H52 H22 148.6(13) 4_455 1_555 1_545 H62 H52 H62 98.73(71) 4_455 1_555 1_555 H62 H52 H61 53.22(60) 4_455 1_555 2_544 H62 H52 H122 59.55(53) 4_455 1_555 4_455 H62 H52 C42 97.76(59) 4_455 1_555 1_555 H62 H52 C62 101.69(79) 4_455 1_555 1_555 H62 H52 C52 101.75(75) 4_455 1_555 1_555 C62 H52 H62 22.41(11) 4_455 1_555 4_455 C62 H52 C12 128.22(95) 4_455 1_555 1_545 C62 H52 C22 118.8(11) 4_455 1_555 1_545 C62 H52 N12 53.40(52) 4_455 1_555 4_455 C62 H52 C12 29.91(29) 4_455 1_555 4_455 C62 H52 H121 171.69(55) 4_455 1_555 1_545 C62 H52 H42 73.38(51) 4_455 1_555 1_555 C62 H52 N12 148.24(59) 4_455 1_555 1_545 C62 H52 H22 126.5(12) 4_455 1_555 1_545 C62 H52 H62 117.79(66) 4_455 1_555 1_555 C62 H52 H61 75.63(62) 4_455 1_555 2_544 C62 H52 H122 63.87(59) 4_455 1_555 4_455 C62 H52 C42 84.11(52) 4_455 1_555 1_555 C62 H52 C62 113.11(65) 4_455 1_555 1_555 C62 H52 C52 99.49(60) 4_455 1_555 1_555 H112 H52 C62 111.06(62) 2_544 1_555 4_455 H112 H52 H62 95.09(52) 2_544 1_555 4_455 H112 H52 C12 56.86(51) 2_544 1_555 1_545 H112 H52 C22 87.06(62) 2_544 1_555 1_545 H112 H52 N12 74.37(76) 2_544 1_555 4_455 H112 H52 C12 104.33(85) 2_544 1_555 4_455 H112 H52 H121 60.94(85) 2_544 1_555 1_545 H112 H52 H42 163.25(81) 2_544 1_555 1_555 H112 H52 N12 42.01(61) 2_544 1_555 1_545 H112 H52 H22 102.92(77) 2_544 1_555 1_545 H112 H52 H62 72.7(10) 2_544 1_555 1_555 H112 H52 H61 57.40(60) 2_544 1_555 2_544 H112 H52 H122 53.61(76) 2_544 1_555 4_455 H112 H52 C42 163.81(93) 2_544 1_555 1_555 H112 H52 C62 98.5(11) 2_544 1_555 1_555 H112 H52 C52 133.8(11) 2_544 1_555 1_555 H121 H52 H112 127.60(88) 4_465 1_555 2_544 H121 H52 C62 57.30(65) 4_465 1_555 4_455 H121 H52 H62 54.43(71) 4_465 1_555 4_455 H121 H52 C12 172.77(78) 4_465 1_555 1_545 H121 H52 C22 145.13(90) 4_465 1_555 1_545 H121 H52 N12 110.28(93) 4_465 1_555 4_455 H121 H52 C12 85.11(75) 4_465 1_555 4_455 H121 H52 H121 128.59(73) 4_465 1_555 1_545 H121 H52 H42 68.77(49) 4_465 1_555 1_555 H121 H52 N12 147.0(11) 4_465 1_555 1_545 H121 H52 H22 125.36(70) 4_465 1_555 1_545 H121 H52 H62 71.95(57) 4_465 1_555 1_555 H121 H52 H61 70.64(93) 4_465 1_555 2_544 H121 H52 H122 113.85(96) 4_465 1_555 4_455 H121 H52 C42 55.32(45) 4_465 1_555 1_555 H121 H52 C62 57.04(58) 4_465 1_555 1_555 H121 H52 C52 47.41(49) 4_465 1_555 1_555 H121 H52 H121 127.2(12) 4_455 1_555 4_465 H121 H52 H112 73.05(81) 4_455 1_555 2_544 H121 H52 C62 70.05(84) 4_455 1_555 4_455 H121 H52 H62 78.43(84) 4_455 1_555 4_455 H121 H52 C12 58.20(35) 4_455 1_555 1_545 H121 H52 C22 60.32(55) 4_455 1_555 1_545 H121 H52 N12 19.70(38) 4_455 1_555 4_455 H121 H52 C12 42.66(68) 4_455 1_555 4_455 H121 H52 H121 104.15(68) 4_455 1_555 1_545 H121 H52 H42 94.34(88) 4_455 1_555 1_555 H121 H52 N12 83.34(43) 4_455 1_555 1_545 H121 H52 H22 82.50(73) 4_455 1_555 1_545 H121 H52 H62 145.23(92) 4_455 1_555 1_555 H121 H52 H61 101.20(74) 4_455 1_555 2_544 H121 H52 H122 33.23(72) 4_455 1_555 4_455 H121 H52 C42 119.22(92) 4_455 1_555 1_555 H121 H52 C62 171.48(98) 4_455 1_555 1_555 H121 H52 C52 152.4(10) 4_455 1_555 1_555 C61 H52 H121 89.54(55) 2_544 1_555 4_455 C61 H52 H121 77.86(70) 2_544 1_555 4_465 C61 H52 H112 52.26(36) 2_544 1_555 2_544 C61 H52 C62 71.34(41) 2_544 1_555 4_455 C61 H52 H62 49.54(40) 2_544 1_555 4_455 C61 H52 C12 107.88(52) 2_544 1_555 1_545 C61 H52 C22 136.32(60) 2_544 1_555 1_545 C61 H52 N12 74.70(54) 2_544 1_555 4_455 C61 H52 C12 86.31(44) 2_544 1_555 4_455 C61 H52 H121 103.19(83) 2_544 1_555 1_545 C61 H52 H42 140.70(57) 2_544 1_555 1_555 C61 H52 N12 92.04(64) 2_544 1_555 1_545 C61 H52 H22 155.16(84) 2_544 1_555 1_545 C61 H52 H62 64.53(67) 2_544 1_555 1_555 C61 H52 H61 11.66(28) 2_544 1_555 2_544 C61 H52 H122 56.34(88) 2_544 1_555 4_455 C61 H52 C42 133.11(63) 2_544 1_555 1_555 C61 H52 C62 84.24(74) 2_544 1_555 1_555 C61 H52 C52 111.83(77) 2_544 1_555 1_555 C12 H62 C62 35.15(23) 1_555 1_555 1_555 H61 H62 C12 126.55(85) 2_544 1_555 1_555 H61 H62 C62 103.07(82) 2_544 1_555 1_555 C52 H62 H61 77.59(68) 1_555 1_555 2_544 C52 H62 C12 69.44(25) 1_555 1_555 1_555 C52 H62 C62 34.29(36) 1_555 1_555 1_555 H61 H62 C52 144.05(89) 3_664 1_555 1_555 H61 H62 H61 122.8(11) 3_664 1_555 2_544 H61 H62 C12 108.21(99) 3_664 1_555 1_555 H61 H62 C62 133.30(84) 3_664 1_555 1_555 H52 H62 H61 135.4(11) 1_555 1_555 3_664 H52 H62 C52 26.30(16) 1_555 1_555 1_555 H52 H62 H61 59.32(72) 1_555 1_555 2_544 H52 H62 C12 95.74(35) 1_555 1_555 1_555 H52 H62 C62 60.59(49) 1_555 1_555 1_555 H111 H62 H52 123.6(10) 2_554 1_555 1_555 H111 H62 H61 86.41(84) 2_554 1_555 3_664 H111 H62 C52 129.42(89) 2_554 1_555 1_555 H111 H62 H61 66.36(84) 2_554 1_555 2_544 H111 H62 C12 104.86(98) 2_554 1_555 1_555 H111 H62 C62 123.01(84) 2_554 1_555 1_555 H122 H62 H111 77.1(11) 1_555 1_555 2_554 H122 H62 H52 147.60(45) 1_555 1_555 1_555 H122 H62 H61 62.7(11) 1_555 1_555 3_664 H122 H62 C52 121.60(39) 1_555 1_555 1_555 H122 H62 H61 141.89(98) 1_555 1_555 2_544 H122 H62 C12 52.58(28) 1_555 1_555 1_555 H122 H62 C62 87.51(39) 1_555 1_555 1_555 C61 H62 H122 64.87(95) 3_664 1_555 1_555 C61 H62 H111 61.74(68) 3_664 1_555 2_554 C61 H62 H52 144.8(10) 3_664 1_555 1_555 C61 H62 H61 25.20(25) 3_664 1_555 3_664 C61 H62 C52 166.73(96) 3_664 1_555 1_555 C61 H62 H61 104.37(88) 3_664 1_555 2_544 C61 H62 C12 117.27(98) 3_664 1_555 1_555 C61 H62 C62 150.94(97) 3_664 1_555 1_555 H112 H62 C61 75.11(90) 2_554 1_555 3_664 H112 H62 H122 46.13(83) 2_554 1_555 1_555 H112 H62 H111 39.55(49) 2_554 1_555 2_554 H112 H62 H52 133.57(83) 2_554 1_555 1_555 H112 H62 H61 90.86(97) 2_554 1_555 3_664 H112 H62 C52 117.95(84) 2_554 1_555 1_555 H112 H62 H61 96.33(90) 2_554 1_555 2_544 H112 H62 C12 66.18(81) 2_554 1_555 1_555 H112 H62 C62 92.59(84) 2_554 1_555 1_555 H121 H62 H112 161.76(98) 1_545 1_555 2_554 H121 H62 C61 97.69(69) 1_545 1_555 3_664 H121 H62 H122 115.63(80) 1_545 1_555 1_555 H121 H62 H111 149.97(73) 1_545 1_555 2_554 H121 H62 H52 60.42(84) 1_545 1_555 1_555 H121 H62 H61 77.25(76) 1_545 1_555 3_664 H121 H62 C52 69.16(84) 1_545 1_555 1_555 H121 H62 H61 101.7(11) 1_545 1_555 2_544 H121 H62 C12 104.13(53) 1_545 1_555 1_555 H121 H62 C62 85.88(75) 1_545 1_555 1_555 N12 H62 H121 121.18(57) 1_555 1_555 1_545 N12 H62 H112 42.92(79) 1_555 1_555 2_554 N12 H62 C61 87.10(98) 1_555 1_555 3_664 N12 H62 H122 23.05(13) 1_555 1_555 1_555 N12 H62 H111 81.7(10) 1_555 1_555 2_554 N12 H62 H52 127.27(37) 1_555 1_555 1_555 N12 H62 H61 85.3(11) 1_555 1_555 3_664 N12 H62 C52 101.06(30) 1_555 1_555 1_555 N12 H62 H61 133.84(96) 1_555 1_555 2_544 N12 H62 C12 31.92(17) 1_555 1_555 1_555 N12 H62 C62 66.87(31) 1_555 1_555 1_555 H51 H62 N12 134.10(87) 3_664 1_555 1_555 H51 H62 H121 78.91(55) 3_664 1_555 1_545 H51 H62 H112 106.49(87) 3_664 1_555 2_554 H51 H62 C61 47.64(37) 3_664 1_555 3_664 H51 H62 H122 112.48(87) 3_664 1_555 1_555 H51 H62 H111 71.06(74) 3_664 1_555 2_554 H51 H62 H52 98.63(84) 3_664 1_555 1_555 H51 H62 H61 57.47(62) 3_664 1_555 3_664 H51 H62 C52 124.81(85) 3_664 1_555 1_555 H51 H62 H61 66.13(70) 3_664 1_555 2_544 H51 H62 C12 164.78(91) 3_664 1_555 1_555 H51 H62 C62 158.68(96) 3_664 1_555 1_555 H52 H62 H51 106.44(90) 4_555 1_555 3_664 H52 H62 N12 58.3(10) 4_555 1_555 1_555 H52 H62 H121 66.71(69) 4_555 1_555 1_545 H52 H62 H112 95.1(11) 4_555 1_555 2_554 H52 H62 C61 74.56(47) 4_555 1_555 3_664 H52 H62 H122 49.06(92) 4_555 1_555 1_555 H52 H62 H111 121.6(12) 4_555 1_555 2_554 H52 H62 H52 114.54(58) 4_555 1_555 1_555 H52 H62 H61 52.72(50) 4_555 1_555 3_664 H52 H62 C52 100.69(50) 4_555 1_555 1_555 H52 H62 H61 167.8(17) 4_555 1_555 2_544 H52 H62 C12 62.53(93) 4_555 1_555 1_555 H52 H62 C62 80.59(67) 4_555 1_555 1_555 N11 H62 H52 116.2(12) 2_554 1_555 4_555 N11 H62 H51 93.12(74) 2_554 1_555 3_664 N11 H62 N12 64.59(82) 2_554 1_555 1_555 N11 H62 H121 172.03(66) 2_554 1_555 1_545 N11 H62 H112 22.09(22) 2_554 1_555 2_554 N11 H62 C61 76.58(72) 2_554 1_555 3_664 N11 H62 H122 67.22(87) 2_554 1_555 1_555 N11 H62 H111 22.06(24) 2_554 1_555 2_554 N11 H62 H52 121.63(75) 2_554 1_555 1_555 N11 H62 H61 98.49(85) 2_554 1_555 3_664 N11 H62 C52 116.33(70) 2_554 1_555 1_555 N11 H62 H61 74.75(72) 2_554 1_555 2_544 N11 H62 C12 83.56(79) 2_554 1_555 1_555 N11 H62 C62 101.84(72) 2_554 1_555 1_555 C51 H62 N11 75.09(69) 3_664 1_555 2_554 C51 H62 H52 101.95(59) 3_664 1_555 4_555 C51 H62 H51 22.65(18) 3_664 1_555 3_664 C51 H62 N12 112.49(88) 3_664 1_555 1_555 C51 H62 H121 97.14(55) 3_664 1_555 1_545 C51 H62 H112 85.01(86) 3_664 1_555 2_554 C51 H62 C61 30.25(22) 3_664 1_555 3_664 C51 H62 H122 92.51(86) 3_664 1_555 1_555 C51 H62 H111 53.78(65) 3_664 1_555 2_554 C51 H62 H52 119.68(88) 3_664 1_555 1_555 C51 H62 H61 49.25(47) 3_664 1_555 3_664 C51 H62 C52 145.89(89) 3_664 1_555 1_555 C51 H62 H61 74.90(71) 3_664 1_555 2_544 C51 H62 C12 144.39(93) 3_664 1_555 1_555 C51 H62 C62 176.63(76) 3_664 1_555 1_555 N12 H62 C51 86.06(46) 1_545 1_555 3_664 N12 H62 N11 154.10(79) 1_545 1_555 2_554 N12 H62 H52 84.67(74) 1_545 1_555 4_555 N12 H62 H51 64.95(45) 1_545 1_555 3_664 N12 H62 N12 140.66(56) 1_545 1_555 1_555 N12 H62 H121 19.51(12) 1_545 1_555 1_545 N12 H62 H112 170.82(74) 1_545 1_555 2_554 N12 H62 C61 96.04(57) 1_545 1_555 3_664 N12 H62 H122 132.37(75) 1_545 1_555 1_555 N12 H62 H111 133.86(85) 1_545 1_555 2_554 N12 H62 H52 53.76(73) 1_545 1_555 1_555 N12 H62 H61 81.69(71) 1_545 1_555 3_664 N12 H62 C52 71.00(70) 1_545 1_555 1_555 N12 H62 H61 83.4(11) 1_545 1_555 2_544 N12 H62 C12 121.22(53) 1_545 1_555 1_555 N12 H62 C62 96.41(71) 1_545 1_555 1_555 C61 H62 N12 85.59(70) 2_544 1_555 1_545 C61 H62 C51 63.19(48) 2_544 1_555 3_664 C61 H62 N11 70.18(60) 2_544 1_555 2_554 C61 H62 H52 162.8(11) 2_544 1_555 4_555 C61 H62 H51 56.46(47) 2_544 1_555 3_664 C61 H62 N12 133.57(65) 2_544 1_555 1_555 C61 H62 H121 104.91(75) 2_544 1_555 1_545 C61 H62 H112 92.27(71) 2_544 1_555 2_554 C61 H62 C61 92.42(65) 2_544 1_555 3_664 C61 H62 H122 135.17(69) 2_544 1_555 1_555 C61 H62 H111 58.08(78) 2_544 1_555 2_554 C61 H62 H52 70.01(55) 2_544 1_555 1_555 C61 H62 H61 111.73(86) 2_544 1_555 3_664 C61 H62 C52 89.48(55) 2_544 1_555 1_555 C61 H62 H61 12.01(27) 2_544 1_555 2_544 C61 H62 C12 134.59(63) 2_544 1_555 1_555 C61 H62 C62 114.64(68) 2_544 1_555 1_555 H112 H62 C61 51.05(60) 2_544 1_555 2_544 H112 H62 N12 36.50(46) 2_544 1_555 1_545 H112 H62 C51 62.26(70) 2_544 1_555 3_664 H112 H62 N11 117.63(96) 2_544 1_555 2_554 H112 H62 H52 115.5(11) 2_544 1_555 4_555 H112 H62 H51 39.96(62) 2_544 1_555 3_664 H112 H62 N12 171.91(80) 2_544 1_555 1_555 H112 H62 H121 55.83(48) 2_544 1_555 1_545 H112 H62 H112 138.2(10) 2_544 1_555 2_554 H112 H62 C61 85.99(88) 2_544 1_555 3_664 H112 H62 H122 149.12(81) 2_544 1_555 1_555 H112 H62 H111 98.7(10) 2_544 1_555 2_554 H112 H62 H52 59.14(73) 2_544 1_555 1_555 H112 H62 H61 86.6(10) 2_544 1_555 3_664 H112 H62 C52 85.00(73) 2_544 1_555 1_555 H112 H62 H61 52.43(97) 2_544 1_555 2_544 H112 H62 C12 152.69(71) 2_544 1_555 1_555 H112 H62 C62 118.76(84) 2_544 1_555 1_555 C52 H62 H112 98.51(90) 4_555 1_555 2_544 C52 H62 C61 149.5(12) 4_555 1_555 2_544 C52 H62 N12 65.52(64) 4_555 1_555 1_545 C52 H62 C51 103.20(58) 4_555 1_555 3_664 C52 H62 N11 135.6(12) 4_555 1_555 2_554 C52 H62 H52 19.54(13) 4_555 1_555 4_555 C52 H62 H51 99.93(81) 4_555 1_555 3_664 C52 H62 N12 76.30(84) 4_555 1_555 1_555 C52 H62 H121 47.21(60) 4_555 1_555 1_545 C52 H62 H112 114.6(11) 4_555 1_555 2_554 C52 H62 C61 81.54(51) 4_555 1_555 3_664 C52 H62 H122 68.59(85) 4_555 1_555 1_555 C52 H62 H111 137.9(10) 4_555 1_555 2_554 C52 H62 H52 98.17(56) 4_555 1_555 1_555 C52 H62 H61 56.66(53) 4_555 1_555 3_664 C52 H62 C52 90.18(37) 4_555 1_555 1_555 C52 H62 H61 148.8(15) 4_555 1_555 2_544 C52 H62 C12 72.94(72) 4_555 1_555 1_555 C52 H62 C62 79.94(43) 4_555 1_555 1_555 H121 H62 C52 123.92(51) 4_465 1_555 4_555 H121 H62 H112 109.9(11) 4_465 1_555 2_544 H121 H62 C61 76.31(57) 4_465 1_555 2_544 H121 H62 N12 115.3(13) 4_465 1_555 1_545 H121 H62 C51 132.69(60) 4_465 1_555 3_664 H121 H62 N11 68.70(92) 4_465 1_555 2_554 H121 H62 H52 120.8(11) 4_465 1_555 4_555 H121 H62 H51 132.77(81) 4_465 1_555 3_664 H121 H62 N12 78.17(63) 4_465 1_555 1_555 H121 H62 H121 116.9(13) 4_465 1_555 1_545 H121 H62 H112 72.7(11) 4_465 1_555 2_554 H121 H62 C61 145.3(12) 4_465 1_555 3_664 H121 H62 H122 100.25(68) 4_465 1_555 1_555 H121 H62 H111 84.92(95) 4_465 1_555 2_554 H121 H62 H52 61.65(66) 4_465 1_555 1_555 H121 H62 H61 162.3(16) 4_465 1_555 3_664 H121 H62 C52 47.74(57) 4_465 1_555 1_555 H121 H62 H61 67.08(76) 4_465 1_555 2_544 H121 H62 C12 59.55(55) 4_465 1_555 1_555 H121 H62 C62 44.08(43) 4_465 1_555 1_555 data_Aniline_I_0_35GPa _database_code_depnum_ccdc_archive 'CCDC 893036' #TrackingRef 'aniiline.cif' _chemical_name_mineral aniline_1 _cell_length_a 21.7207(68) _cell_length_b 5.7889(12) _cell_length_c 8.3229(12) _cell_angle_alpha 90 _cell_angle_beta 101.095(37) _cell_angle_gamma 90 _cell_volume 1026.96(44) _symmetry_space_group_name_H-M P21/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z ' '-x, y+1/2, -z+1/2 ' 'x, -y+1/2, z+1/2 ' '-x, -y, -z ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv N11 N 0 0.6949567 0.269605 0.6754686 1 7.25(45) C11 C 0 0.6554423 0.4116666 0.743215 1 7.25(45) C21 C 0 0.5965916 0.3344235 0.7642049 1 7.25(45) C31 C 0 0.5599057 0.4677749 0.8448597 1 7.25(45) C41 C 0 0.58007 0.6819 0.90753 1 7.25(45) C51 C 0 0.6382966 0.7595598 0.8872228 1 7.25(45) C61 C 0 0.6754808 0.6280634 0.8068373 1 7.25(45) H111 D 0 0.67323 0.140599 0.6025324 1 10.87(68) H112 D 0 0.7251173 0.353073 0.6153979 1 10.87(68) H21 D 0 0.5804307 0.1669747 0.7155274 1 8.70(54) H31 D 0 0.5145746 0.4016369 0.8585558 1 8.70(54) H41 D 0 0.550961 0.7862651 0.970989 1 8.70(54) H51 D 0 0.655549 0.9263687 0.9347395 1 8.70(54) H61 D 0 0.7210075 0.6902269 0.7914962 1 8.70(54) N12 N 0 0.815386 0.2232485 0.004759455 1 7.25(45) C12 C 0 0.8520004 0.3832885 0.1037252 1 7.25(45) C22 C 0 0.912227 0.3267999 0.1871047 1 7.25(45) C32 C 0 0.9461939 0.4784762 0.296629 1 7.25(45) C42 C 0 0.92186 0.69106 0.32756 1 7.25(45) C52 C 0 0.8622477 0.7482221 0.2454566 1 7.25(45) C62 C 0 0.8277471 0.5982607 0.1356069 1 7.25(45) H121 D 0 0.8394973 0.09181857 -0.03627943 1 10.87(68) H122 D 0 0.7841596 0.2911808 -0.09071414 1 10.87(68) H22 D 0 0.9316477 0.1607101 0.1636351 1 8.70(54) H32 D 0 0.9927157 0.4281277 0.3587487 1 8.70(54) H42 D 0 0.94884 0.8099224 0.4140058 1 8.70(54) H52 D 0 0.8417509 0.9132257 0.2667227 1 8.70(54) H62 D 0 0.7811086 0.6444402 0.07186858 1 8.70(54) data_Aniline_II_0_35GPa _database_code_depnum_ccdc_archive 'CCDC 893037' #TrackingRef 'aniiline.cif' _chemical_name_mineral aniline_2 _cell_length_a 8.3307(15) _cell_length_b 5.8167(17) _cell_length_c 21.2747(71) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1030.91(49) _symmetry_space_group_name_H-M Pna21 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z ' '-x+1/2, y+1/2, z+1/2 ' '-x, -y, z+1/2 ' 'x+1/2, -y+1/2, z ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv N11 N 0 0.4504819 0.2513195 0.9246193 1 7.25(45) C11 C 0 0.5374046 0.4023908 0.8875898 1 7.25(45) C21 C 0 0.5921568 0.337558 0.8281311 1 7.25(45) C31 C 0 0.6905639 0.4798853 0.7939135 1 7.25(45) C41 C 0 0.73826 0.69104 0.81723 1 7.25(45) C51 C 0 0.684526 0.7564296 0.8760776 1 7.25(45) C61 C 0 0.5860806 0.6158603 0.9108175 1 7.25(45) H111 D 0 0.3963205 0.1201905 0.9009618 1 10.87(68) H112 D 0 0.3797387 0.3263916 0.9578784 1 10.87(68) H21 D 0 0.555405 0.1725184 0.8095091 1 8.70(54) H31 D 0 0.7303867 0.4232613 0.7480099 1 8.70(54) H41 D 0 0.8158311 0.8025174 0.7900568 1 8.70(54) H51 D 0 0.7195285 0.920585 0.8957698 1 8.70(54) H61 D 0 0.5445774 0.6684397 0.9568523 1 8.70(54) N12 N 0 0.283798 0.774772 0.5449936 1 7.25(45) C12 C 0 0.2014107 0.6183907 0.581965 1 7.25(45) C22 C 0 0.1509984 0.6762978 0.6425362 1 7.25(45) C32 C 0 0.05681906 0.5286937 0.6769066 1 7.25(45) C42 C 0 0.00921 0.31892 0.65265 1 7.25(45) C52 C 0 0.05866048 0.2603761 0.5926981 1 7.25(45) C62 C 0 0.1528515 0.4062744 0.5577923 1 7.25(45) H121 D 0 0.3420443 0.9013206 0.5690249 1 10.87(68) H122 D 0 0.3629646 0.7044845 0.5139367 1 10.87(68) H22 D 0 0.1877153 0.8402086 0.6618993 1 8.70(54) H32 D 0 0.02028343 0.5800182 0.7236869 1 8.70(54) H42 D 0 -0.0650186 0.2032634 0.6799488 1 8.70(54) H52 D 0 0.02359494 0.09748887 0.5722504 1 8.70(54) H62 D 0 0.1910175 0.3590399 0.5108898 1 8.70(54)