#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:21:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179748 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/44/7004495.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7004495
loop_
_publ_author_name
'Nakamura, Setsuko'
'Ozeki, Tomoji'
_publ_section_title
;
 Guest driven rearrangements of protonation and hydrogen bonding in
 decavanadate anions as their tetraalkylammonium salts
;
_journal_issue                   44
_journal_name_full               'Dalton Transactions'
_journal_page_first              6135
_journal_page_last               6140
_journal_paper_doi               10.1039/b807880g
_journal_year                    2008
_chemical_formula_moiety         '(C20 H44 N +)3, (H3 O28 V10 3-)'
_chemical_formula_sum            'C60 H135 N3 O28 V10'
_chemical_formula_weight         1856.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                119.342(1)
_cell_angle_beta                 91.881(1)
_cell_angle_gamma                100.598(1)
_cell_formula_units_Z            8
_cell_length_a                   15.5420(2)
_cell_length_b                   34.9806(2)
_cell_length_c                   35.6115(4)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.59
_cell_measurement_theta_min      1.36
_cell_volume                     16417.5(4)
_computing_cell_refinement       'SMART (Bruker AXS)'
_computing_data_collection       'SMART (Bruker AXS)'
_computing_data_reduction        'SAINT (Bruker AXS)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Bruker SMART CCD area detector system'
_diffrn_measurement_method       'oscillation method, ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku Ultrax Rotating Mo Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0686
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            159050
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         30.59
_diffrn_reflns_theta_min         1.36
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  0.8456
_exptl_absorpt_correction_T_min  0.7288
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs (Sheldrick, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7760
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.551
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2619
_refine_ls_number_reflns         95592
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1287
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0421P)²+85.8530P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1508
_refine_ls_wR_factor_ref         0.1832
_reflns_number_gt                56050
_reflns_number_total             95592
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b807880g.txt
_cod_data_source_block           TAAh
_cod_original_cell_volume        16417.5(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004495
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
V2B_A V 0.41521(5) 0.17184(2) 0.38087(2) 0.01638(14) Uani 1 1 d . . .
V1A'_A V 0.21023(4) 0.15304(2) 0.36527(2) 0.01272(13) Uani 1 1 d . . .
V2A'_A V 0.00498(4) 0.12980(2) 0.34978(2) 0.01489(13) Uani 1 1 d . . .
V2B'_A V -0.00051(4) 0.02825(2) 0.30399(2) 0.01335(13) Uani 1 1 d . . .
V1A_A V 0.20226(4) 0.04571(2) 0.31823(2) 0.01065(12) Uani 1 1 d . . .
V2A_A V 0.40411(4) 0.06965(2) 0.33572(2) 0.01503(13) Uani 1 1 d . . .
V3A_A V 0.31561(4) 0.11422(2) 0.28601(2) 0.01461(13) Uani 1 1 d . . .
V3B_A V 0.10813(4) 0.09333(2) 0.27036(2) 0.01370(13) Uani 1 1 d . . .
V3B'_A V 0.30403(4) 0.11298(2) 0.41331(2) 0.01417(13) Uani 1 1 d . . .
V3A'_A V 0.09997(4) 0.09120(2) 0.39726(2) 0.01412(13) Uani 1 1 d . . .
OG2_A O 0.4906(2) 0.21734(10) 0.40464(11) 0.0254(7) Uani 1 1 d . . .
OG1'_A O -0.0647(2) 0.16129(10) 0.36230(11) 0.0224(7) Uani 1 1 d . . .
OG2'_A O -0.07465(19) -0.01783(10) 0.27814(10) 0.0190(6) Uani 1 1 d . . .
OG1_A O 0.47194(19) 0.03630(10) 0.32048(10) 0.0204(6) Uani 1 1 d . . .
OF1_A O 0.3178(2) 0.11088(10) 0.23949(10) 0.0207(6) Uani 1 1 d . . .
OF2_A O 0.1110(2) 0.09027(10) 0.22401(10) 0.0206(6) Uani 1 1 d . . .
OF2'_A O 0.2999(2) 0.11362(10) 0.45872(10) 0.0206(6) Uani 1 1 d . . .
OF1'_A O 0.0985(2) 0.09165(10) 0.44253(10) 0.0207(6) Uani 1 1 d . . .
OE2_A O 0.30259(19) 0.19510(9) 0.38761(10) 0.0175(6) Uani 1 1 d . . .
OE1'_A O 0.12233(19) 0.17711(9) 0.37414(10) 0.0166(6) Uani 1 1 d . . .
OD1'_A O -0.06270(18) 0.07289(9) 0.32023(9) 0.0165(6) Uani 1 1 d . . .
OE2'_A O 0.11069(18) 0.00264(9) 0.29199(9) 0.0132(5) Uani 1 1 d . . .
OE1_A O 0.28962(18) 0.02027(9) 0.30558(9) 0.0146(5) Uani 1 1 d . . .
OD1_A O 0.47422(19) 0.12671(10) 0.36152(10) 0.0184(6) Uani 1 1 d . . .
OC2_A O 0.39351(19) 0.16247(9) 0.32282(10) 0.0183(6) Uani 1 1 d . . .
OB2_A O 0.21357(18) 0.13979(9) 0.30537(9) 0.0142(5) Uani 1 1 d . . .
OC3_A O 0.03425(19) 0.12648(10) 0.29554(10) 0.0171(6) Uani 1 1 d . . .
OC4_A O 0.02525(18) 0.03667(9) 0.25312(9) 0.0152(6) Uani 1 1 d . . .
OB1_A O 0.20755(18) 0.05736(9) 0.26572(9) 0.0130(5) Uani 1 1 d . . .
OC1_A O 0.38907(19) 0.07314(10) 0.28119(10) 0.0179(6) Uani 1 1 d . . .
OC4'_A O 0.38438(19) 0.16290(9) 0.42713(9) 0.0167(6) Uani 1 1 d . . .
OB1'_A O 0.20511(19) 0.14014(9) 0.41171(9) 0.0155(6) Uani 1 1 d . . .
OC1'_A O 0.02627(18) 0.12614(9) 0.39951(9) 0.0161(6) Uani 1 1 d . . .
OC2'_A O 0.01978(18) 0.03747(9) 0.35803(9) 0.0147(5) Uani 1 1 d . . .
OB2'_A O 0.20004(19) 0.05848(9) 0.37455(9) 0.0147(5) Uani 1 1 d . . .
OC3'_A O 0.37856(19) 0.07391(9) 0.38595(10) 0.0166(6) Uani 1 1 d . . .
OA1_A O 0.29428(18) 0.10646(9) 0.34501(9) 0.0133(5) Uani 1 1 d . . .
OA1'_A O 0.11973(18) 0.08950(9) 0.33187(9) 0.0134(5) Uani 1 1 d . . .
V2B_B V 0.08793(5) -0.17594(2) 0.11900(2) 0.01800(14) Uani 1 1 d . . .
V1A'_B V 0.29308(4) -0.15720(2) 0.13425(2) 0.01274(13) Uani 1 1 d . . .
V2A'_B V 0.49837(4) -0.13387(2) 0.14961(2) 0.01516(13) Uani 1 1 d . . .
V2B'_B V 0.50402(4) -0.03213(2) 0.19560(2) 0.01325(13) Uani 1 1 d . . .
V1A_B V 0.30112(4) -0.04982(2) 0.18148(2) 0.01159(12) Uani 1 1 d . . .
V2A_B V 0.09938(4) -0.07387(2) 0.16421(2) 0.01595(14) Uani 1 1 d . . .
V3B'_B V 0.19907(5) -0.11715(2) 0.08638(2) 0.01545(13) Uani 1 1 d . . .
V3A'_B V 0.40317(4) -0.09512(2) 0.10230(2) 0.01417(13) Uani 1 1 d . . .
V3A_B V 0.18809(4) -0.11854(2) 0.21379(2) 0.01503(13) Uani 1 1 d . . .
V3B_B V 0.39550(4) -0.09744(2) 0.22906(2) 0.01279(13) Uani 1 1 d . . .
OG2_B O 0.0124(2) -0.22139(10) 0.09542(11) 0.0256(7) Uani 1 1 d . . .
OG1'_B O 0.5679(2) -0.16550(10) 0.13694(11) 0.0219(6) Uani 1 1 d . . .
OG2'_B O 0.57780(19) 0.01407(10) 0.22139(10) 0.0191(6) Uani 1 1 d . . .
OG1_B O 0.0316(2) -0.04051(10) 0.17965(10) 0.0215(6) Uani 1 1 d . . .
OF2'_B O 0.2029(2) -0.11763(10) 0.04109(10) 0.0210(6) Uani 1 1 d . . .
OF1'_B O 0.4045(2) -0.09554(10) 0.05704(10) 0.0207(6) Uani 1 1 d . . .
OF1_B O 0.1859(2) -0.11537(11) 0.26037(11) 0.0237(7) Uani 1 1 d . . .
OF2_B O 0.3929(2) -0.09414(10) 0.27564(10) 0.0202(6) Uani 1 1 d . . .
OE2_B O 0.20083(19) -0.19908(9) 0.11221(10) 0.0178(6) Uani 1 1 d . . .
OE1'_B O 0.38115(18) -0.18098(9) 0.12541(10) 0.0162(6) Uani 1 1 d . . .
OD1'_B O 0.56583(18) -0.07707(9) 0.17887(9) 0.0155(6) Uani 1 1 d . . .
OE2'_B O 0.39267(18) -0.00666(9) 0.20794(9) 0.0132(5) Uani 1 1 d . . .
OE1_B O 0.21340(18) -0.02451(9) 0.19430(9) 0.0138(5) Uani 1 1 d . . .
OD1_B O 0.02899(19) -0.13101(10) 0.13836(10) 0.0190(6) Uani 1 1 d . . .
OC4'_B O 0.11850(19) -0.16710(10) 0.07273(10) 0.0182(6) Uani 1 1 d . . .
OB1'_B O 0.29807(18) -0.14401(9) 0.08784(9) 0.0152(6) Uani 1 1 d . . .
OC1'_B O 0.47717(19) -0.12991(10) 0.10008(10) 0.0170(6) Uani 1 1 d . . .
OC2'_B O 0.48393(19) -0.04142(10) 0.14128(10) 0.0177(6) Uani 1 1 d . . .
OB2'_B O 0.30309(18) -0.06243(9) 0.12534(9) 0.0143(5) Uani 1 1 d . . .
OC3'_B O 0.12423(19) -0.07804(9) 0.11384(10) 0.0171(6) Uani 1 1 d . . .
OC2_B O 0.11029(19) -0.16707(10) 0.17678(10) 0.0187(6) Uani 1 1 d . . .
OB2_B O 0.29016(18) -0.14376(9) 0.19435(9) 0.0155(6) Uani 1 1 d . . .
OC3_B O 0.46942(19) -0.13053(10) 0.20364(10) 0.0172(6) Uani 1 1 d . . .
OC4_B O 0.47812(18) -0.04079(9) 0.24605(9) 0.0138(5) Uani 1 1 d . . .
OB1_B O 0.29588(18) -0.06157(9) 0.23381(9) 0.0129(5) Uani 1 1 d . . .
OC1_B O 0.11457(18) -0.07737(10) 0.21874(9) 0.0170(6) Uani 1 1 d . . .
OA1_B O 0.20886(18) -0.11065(9) 0.15474(9) 0.0153(6) Uani 1 1 d . . .
OA1'_B O 0.38372(18) -0.09341(9) 0.16781(9) 0.0133(5) Uani 1 1 d . . .
V2A_C V 0.34750(5) 0.43773(2) 0.28412(3) 0.01892(15) Uani 1 1 d . . .
V1A_C V 0.16237(5) 0.45268(2) 0.27408(2) 0.01366(13) Uani 1 1 d . . .
V2B'_C V -0.02862(5) 0.46172(2) 0.26140(3) 0.01825(14) Uani 1 1 d . . .
V2A'_C V -0.09847(5) 0.35837(2) 0.20969(3) 0.02002(15) Uani 1 1 d . . .
V1A'_C V 0.09068(5) 0.34364(2) 0.21781(2) 0.01595(14) Uani 1 1 d . . .
V2B_C V 0.28316(5) 0.33430(2) 0.23152(3) 0.02079(15) Uani 1 1 d . . .
V3B'_C V 0.19679(5) 0.39160(2) 0.31230(2) 0.01792(14) Uani 1 1 d . . .
V3A'_C V 0.00933(5) 0.40443(2) 0.30203(2) 0.01788(14) Uani 1 1 d . . .
V3A_C V 0.24333(5) 0.38531(2) 0.18404(2) 0.01782(14) Uani 1 1 d . . .
V3B_C V 0.05019(5) 0.39685(2) 0.17243(2) 0.01729(14) Uani 1 1 d . . .
OG1_C O 0.4410(2) 0.47442(11) 0.30596(11) 0.0254(7) Uani 1 1 d . . .
OG2'_C O -0.0683(2) 0.50502(11) 0.27543(11) 0.0259(7) Uani 1 1 d . . .
OG1'_C O -0.1923(2) 0.32377(11) 0.18735(11) 0.0269(7) Uani 1 1 d . . .
OG2_C O 0.3254(2) 0.29155(11) 0.21718(12) 0.0296(8) Uani 1 1 d . . .
OF2'_C O 0.1784(2) 0.39124(11) 0.35623(11) 0.0268(7) Uani 1 1 d . . .
OF1'_C O -0.0061(2) 0.40590(11) 0.34685(11) 0.0270(7) Uani 1 1 d . . .
OF1_C O 0.2609(2) 0.38611(11) 0.14037(11) 0.0265(7) Uani 1 1 d . . .
OF2_C O 0.0670(2) 0.39797(11) 0.12865(11) 0.0265(7) Uani 1 1 d . . .
OE1_C O 0.2703(2) 0.48231(9) 0.29231(10) 0.0177(6) Uani 1 1 d . . .
OE2'_C O 0.10273(19) 0.49180(9) 0.28182(10) 0.0166(6) Uani 1 1 d . . .
OD1'_C O -0.1233(2) 0.41303(10) 0.22960(11) 0.0220(6) Uani 1 1 d . . .
OE1'_C O -0.0153(2) 0.31549(10) 0.19649(10) 0.0209(6) Uani 1 1 d . . .
OE2_C O 0.1533(2) 0.30550(10) 0.20698(11) 0.0208(6) Uani 1 1 d . . .
OD1_C O 0.3766(2) 0.38271(10) 0.26014(11) 0.0237(7) Uani 1 1 d . . .
OC3'_C O 0.3043(2) 0.43430(10) 0.32850(10) 0.0218(6) Uani 1 1 d . . .
OB2'_C O 0.13601(19) 0.44185(9) 0.31806(9) 0.0164(6) Uani 1 1 d . . .
OC2'_C O -0.0302(2) 0.45396(10) 0.30760(10) 0.0213(6) Uani 1 1 d . . .
OC1'_C O -0.0876(2) 0.36511(10) 0.26469(11) 0.0207(6) Uani 1 1 d . . .
OB1'_C O 0.0809(2) 0.35886(9) 0.27698(10) 0.0177(6) Uani 1 1 d . . .
OC4'_C O 0.2444(2) 0.34394(10) 0.28385(10) 0.0216(6) Uani 1 1 d . . .
OC1_C O 0.3446(2) 0.43096(10) 0.22446(10) 0.0199(6) Uani 1 1 d . . .
OB1_C O 0.1750(2) 0.43842(9) 0.20993(10) 0.0171(6) Uani 1 1 d . . .
OC4_C O 0.0057(2) 0.45108(9) 0.20375(10) 0.0182(6) Uani 1 1 d . . .
OC3_C O -0.0525(2) 0.36094(10) 0.16035(10) 0.0197(6) Uani 1 1 d . . .
OB2_C O 0.1193(2) 0.35540(9) 0.17096(10) 0.0180(6) Uani 1 1 d . . .
OC2_C O 0.2825(2) 0.34043(10) 0.18063(10) 0.0217(6) Uani 1 1 d . . .
OA1_C O 0.21082(19) 0.39507(9) 0.24924(9) 0.0155(6) Uani 1 1 d . . .
OA1'_C O 0.04797(19) 0.40419(9) 0.23889(9) 0.0157(6) Uani 1 1 d . . .
V2A'_D V 0.61367(5) 0.64058(2) 0.29094(3) 0.02015(15) Uani 1 1 d . . .
V1A'_D V 0.42431(5) 0.65523(2) 0.28363(2) 0.01471(13) Uani 1 1 d . . .
V2B_D V 0.23167(5) 0.66461(2) 0.27066(3) 0.01843(14) Uani 1 1 d . . .
V2A_D V 0.16687(5) 0.56123(2) 0.21844(2) 0.01614(14) Uani 1 1 d . . .
V1A_D V 0.35242(5) 0.54630(2) 0.22797(2) 0.01304(13) Uani 1 1 d . . .
V2B'_D V 0.54338(5) 0.53734(2) 0.24002(3) 0.01868(14) Uani 1 1 d . . .
V3A_D V 0.27259(5) 0.61400(2) 0.31830(2) 0.01577(13) Uani 1 1 d . . .
V3B_D V 0.50414(5) 0.59402(2) 0.19907(2) 0.01693(14) Uani 1 1 d . . .
V3B'_D V 0.31672(5) 0.60700(2) 0.18941(2) 0.01558(13) Uani 1 1 d . . .
V3A'_D V 0.46630(5) 0.60272(2) 0.32942(2) 0.01660(14) Uani 1 1 d . . .
OG1'_D O 0.7080(2) 0.67545(11) 0.31303(11) 0.0277(7) Uani 1 1 d . . .
OG2_D O 0.1890(2) 0.70712(11) 0.28508(12) 0.0280(7) Uani 1 1 d . . .
OG1_D O 0.0732(2) 0.52505(10) 0.19689(11) 0.0225(7) Uani 1 1 d . . .
OG2'_D O 0.5830(2) 0.49398(11) 0.22627(12) 0.0271(7) Uani 1 1 d . . .
OF2_D O 0.4508(2) 0.60237(11) 0.37378(11) 0.0245(7) Uani 1 1 d . . .
OF1_D O 0.2554(2) 0.61320(11) 0.36212(10) 0.0240(7) Uani 1 1 d . . .
OF1'_D O 0.5176(2) 0.59192(11) 0.15379(11) 0.0245(7) Uani 1 1 d . . .
OF2'_D O 0.3337(2) 0.60688(10) 0.14528(10) 0.0221(6) Uani 1 1 d . . .
OE1'_D O 0.5304(2) 0.68330(9) 0.30440(10) 0.0196(6) Uani 1 1 d . . .
OE2_D O 0.3617(2) 0.69335(9) 0.29459(10) 0.0179(6) Uani 1 1 d . . .
OD1_D O 0.1382(2) 0.61639(10) 0.24258(11) 0.0211(6) Uani 1 1 d . . .
OE1_D O 0.24479(19) 0.51685(9) 0.21024(9) 0.0151(6) Uani 1 1 d . . .
OE2'_D O 0.41204(19) 0.50712(9) 0.22025(10) 0.0158(6) Uani 1 1 d . . .
OD1'_D O 0.6387(2) 0.58618(10) 0.27132(11) 0.0224(7) Uani 1 1 d . . .
OC3_D O 0.5688(2) 0.63885(10) 0.34111(10) 0.0220(6) Uani 1 1 d . . .
OB2_D O 0.3968(2) 0.64384(9) 0.33091(9) 0.0172(6) Uani 1 1 d . . .
OC2_D O 0.2329(2) 0.65858(10) 0.32173(10) 0.0204(6) Uani 1 1 d . . .
OC1_D O 0.1705(2) 0.56827(9) 0.27820(10) 0.0176(6) Uani 1 1 d . . .
OB1_D O 0.34117(19) 0.56096(9) 0.29231(9) 0.0149(5) Uani 1 1 d . . .
OC4_D O 0.5098(2) 0.54797(10) 0.29791(10) 0.0194(6) Uani 1 1 d . . .
OC1'_D O 0.6014(2) 0.63334(10) 0.23589(11) 0.0206(6) Uani 1 1 d . . .
OB1'_D O 0.4325(2) 0.63966(9) 0.22430(10) 0.0173(6) Uani 1 1 d . . .
OC4'_D O 0.2688(2) 0.65458(10) 0.21778(10) 0.0187(6) Uani 1 1 d . . .
OC3'_D O 0.2091(2) 0.56465(9) 0.17374(10) 0.0186(6) Uani 1 1 d . . .
OB2'_D O 0.37726(19) 0.55678(9) 0.18370(9) 0.0165(6) Uani 1 1 d . . .
OC2'_D O 0.5430(2) 0.54444(10) 0.19347(10) 0.0207(6) Uani 1 1 d . . .
OA1'_D O 0.46736(19) 0.59489(9) 0.26273(9) 0.0152(6) Uani 1 1 d . . .
OA1_D O 0.30402(19) 0.60397(9) 0.25288(9) 0.0151(6) Uani 1 1 d . . .
N1 N 0.6941(3) 0.75079(12) 0.45522(12) 0.0217(8) Uani 1 1 d . . .
C1 C 0.7519(3) 0.78228(15) 0.49933(15) 0.0231(9) Uiso 1 1 d . . .
H1A H 0.7151 0.7848 0.5223 0.028 Uiso 1 1 calc R . .
H1B H 0.7689 0.8126 0.5026 0.028 Uiso 1 1 calc R . .
C2 C 0.8369(3) 0.76949(16) 0.50812(16) 0.0258(9) Uiso 1 1 d . . .
H2A H 0.8461 0.7787 0.5393 0.031 Uiso 1 1 calc R . .
H2B H 0.8270 0.7363 0.4911 0.031 Uiso 1 1 calc R . .
C3 C 0.9218(3) 0.78946(17) 0.49755(17) 0.0279(10) Uiso 1 1 d . . .
H3A H 0.9182 0.7760 0.4656 0.033 Uiso 1 1 calc R . .
H3B H 0.9279 0.8223 0.5105 0.033 Uiso 1 1 calc R . .
C4 C 1.0030(3) 0.78110(18) 0.51470(19) 0.0329(11) Uiso 1 1 d . . .
H4A H 1.0061 0.7943 0.5466 0.039 Uiso 1 1 calc R . .
H4B H 0.9969 0.7482 0.5015 0.039 Uiso 1 1 calc R . .
C5 C 1.0882(4) 0.8010(2) 0.5049(2) 0.0474(15) Uiso 1 1 d . . .
H5A H 1.1382 0.7948 0.5167 0.071 Uiso 1 1 calc R . .
H5B H 1.0952 0.8336 0.5182 0.071 Uiso 1 1 calc R . .
H5C H 1.0863 0.7874 0.4733 0.071 Uiso 1 1 calc R . .
C6 C 0.7468(3) 0.74435(15) 0.41814(16) 0.0232(9) Uiso 1 1 d . . .
H6A H 0.7958 0.7305 0.4200 0.028 Uiso 1 1 calc R . .
H6B H 0.7079 0.7228 0.3902 0.028 Uiso 1 1 calc R . .
C7 C 0.7856(3) 0.78700(16) 0.41731(17) 0.0275(10) Uiso 1 1 d . . .
H7A H 0.8198 0.8101 0.4460 0.033 Uiso 1 1 calc R . .
H7B H 0.7373 0.7990 0.4113 0.033 Uiso 1 1 calc R . .
C8 C 0.8460(4) 0.77671(18) 0.38203(18) 0.0325(11) Uiso 1 1 d . A .
H8A H 0.8902 0.7618 0.3866 0.039 Uiso 1 1 calc R . .
H8B H 0.8102 0.7555 0.3532 0.039 Uiso 1 1 calc R . .
C9 C 0.8942(4) 0.81898(19) 0.38212(19) 0.0358(12) Uiso 1 1 d . . .
H9A H 0.8517 0.8377 0.3846 0.043 Uiso 0.514(13) 1 calc PR A 1
H9B H 0.9405 0.8369 0.4079 0.043 Uiso 0.514(13) 1 calc PR A 1
H9C H 0.9302 0.8094 0.3580 0.043 Uiso 0.486(13) 1 calc PR A 2
H9D H 0.8490 0.8319 0.3751 0.043 Uiso 0.486(13) 1 calc PR A 2
C10A C 0.9364(7) 0.8080(3) 0.3416(3) 0.033(3) Uiso 0.514(13) 1 d P A 1
H10A H 0.9663 0.8361 0.3431 0.049 Uiso 0.514(13) 1 calc PR A 1
H10B H 0.8907 0.7908 0.3160 0.049 Uiso 0.514(13) 1 calc PR A 1
H10C H 0.9797 0.7901 0.3394 0.049 Uiso 0.514(13) 1 calc PR A 1
C10B C 0.9525(11) 0.8554(6) 0.4218(6) 0.067(5) Uiso 0.486(13) 1 d P A 2
H10D H 0.9783 0.8802 0.4171 0.100 Uiso 0.486(13) 1 calc PR A 2
H10E H 0.9999 0.8439 0.4288 0.100 Uiso 0.486(13) 1 calc PR A 2
H10F H 0.9181 0.8664 0.4461 0.100 Uiso 0.486(13) 1 calc PR A 2
C11 C 0.6608(3) 0.70380(16) 0.44887(16) 0.0250(9) Uiso 1 1 d . . .
H11A H 0.6267 0.6841 0.4194 0.030 Uiso 1 1 calc R . .
H11B H 0.7127 0.6915 0.4501 0.030 Uiso 1 1 calc R . .
C12 C 0.6030(4) 0.70122(19) 0.48177(19) 0.0355(12) Uiso 1 1 d . . .
H12A H 0.5419 0.7020 0.4738 0.043 Uiso 1 1 calc R . .
H12B H 0.6262 0.7276 0.5111 0.043 Uiso 1 1 calc R . .
C13 C 0.6019(4) 0.6579(2) 0.4827(2) 0.0415(13) Uiso 1 1 d . . .
H13A H 0.5908 0.6322 0.4524 0.050 Uiso 1 1 calc R . .
H13B H 0.5526 0.6527 0.4978 0.050 Uiso 1 1 calc R . .
C14 C 0.6886(5) 0.6593(2) 0.5056(3) 0.0572(18) Uiso 1 1 d . . .
H14A H 0.7380 0.6648 0.4907 0.069 Uiso 1 1 calc R . .
H14B H 0.6993 0.6847 0.5359 0.069 Uiso 1 1 calc R . .
C15 C 0.6882(7) 0.6164(3) 0.5060(3) 0.089(3) Uiso 1 1 d . . .
H15A H 0.7447 0.6194 0.5214 0.133 Uiso 1 1 calc R . .
H15B H 0.6799 0.5912 0.4761 0.133 Uiso 1 1 calc R . .
H15C H 0.6399 0.6108 0.5210 0.133 Uiso 1 1 calc R . .
C16 C 0.6166(3) 0.77162(15) 0.45439(15) 0.0236(9) Uiso 1 1 d . . .
H16A H 0.6400 0.8036 0.4632 0.028 Uiso 1 1 calc R . .
H16B H 0.5792 0.7709 0.4761 0.028 Uiso 1 1 calc R . .
C17 C 0.5587(3) 0.74784(17) 0.40980(17) 0.0282(10) Uiso 1 1 d . . .
H17A H 0.5526 0.7149 0.3961 0.034 Uiso 1 1 calc R . .
H17B H 0.5883 0.7577 0.3908 0.034 Uiso 1 1 calc R . .
C18 C 0.4662(3) 0.75807(18) 0.41340(18) 0.0312(11) Uiso 1 1 d . . .
H18A H 0.4725 0.7910 0.4316 0.037 Uiso 1 1 calc R . .
H18B H 0.4370 0.7484 0.3840 0.037 Uiso 1 1 calc R . .
C19 C 0.4079(4) 0.7347(2) 0.4330(2) 0.0382(12) Uiso 1 1 d . . .
H19A H 0.4314 0.7485 0.4641 0.046 Uiso 1 1 calc R . .
H19B H 0.4109 0.7026 0.4182 0.046 Uiso 1 1 calc R . .
C20 C 0.3114(4) 0.7373(2) 0.4292(2) 0.0523(16) Uiso 1 1 d . . .
H20A H 0.2775 0.7215 0.4423 0.078 Uiso 1 1 calc R . .
H20B H 0.2871 0.7231 0.3984 0.078 Uiso 1 1 calc R . .
H20C H 0.3075 0.7689 0.4445 0.078 Uiso 1 1 calc R . .
N2 N 0.2063(2) -0.03437(12) 0.39800(12) 0.0197(7) Uani 1 1 d . . .
C21 C 0.1939(3) 0.01012(15) 0.43566(15) 0.0212(8) Uiso 1 1 d . . .
H21A H 0.1333 0.0049 0.4426 0.025 Uiso 1 1 calc R . .
H21B H 0.1977 0.0319 0.4253 0.025 Uiso 1 1 calc R . .
C22 C 0.2583(3) 0.03237(15) 0.47797(15) 0.0227(9) Uiso 1 1 d . . .
H22A H 0.2672 0.0094 0.4853 0.027 Uiso 1 1 calc R . .
H22B H 0.3163 0.0465 0.4743 0.027 Uiso 1 1 calc R . .
C23 C 0.2201(3) 0.06811(16) 0.51453(16) 0.0269(10) Uiso 1 1 d . . .
H23A H 0.1618 0.0535 0.5174 0.032 Uiso 1 1 calc R . .
H23B H 0.2104 0.0904 0.5064 0.032 Uiso 1 1 calc R . .
C24 C 0.2794(4) 0.09299(18) 0.55883(18) 0.0340(11) Uiso 1 1 d . . .
H24A H 0.2498 0.1151 0.5806 0.041 Uiso 1 1 calc R . .
H24B H 0.2856 0.0709 0.5679 0.041 Uiso 1 1 calc R . .
C25 C 0.3708(4) 0.1174(2) 0.5589(2) 0.0489(15) Uiso 1 1 d . . .
H25A H 0.4047 0.1323 0.5881 0.073 Uiso 1 1 calc R . .
H25B H 0.3655 0.1400 0.5508 0.073 Uiso 1 1 calc R . .
H25C H 0.4013 0.0957 0.5379 0.073 Uiso 1 1 calc R . .
C26 C 0.1379(3) -0.04803(15) 0.35897(14) 0.0194(8) Uiso 1 1 d . . .
H26A H 0.1516 -0.0251 0.3501 0.023 Uiso 1 1 calc R . .
H26B H 0.1449 -0.0769 0.3344 0.023 Uiso 1 1 calc R . .
C27 C 0.0409(3) -0.05340(16) 0.36643(15) 0.0237(9) Uiso 1 1 d . . .
H27A H 0.0287 -0.0713 0.3810 0.028 Uiso 1 1 calc R . .
H27B H 0.0284 -0.0235 0.3853 0.028 Uiso 1 1 calc R . .
C28 C -0.0177(3) -0.07734(16) 0.32217(16) 0.0248(9) Uiso 1 1 d . . .
H28A H -0.0140 -0.1093 0.3061 0.030 Uiso 1 1 calc R . .
H28B H 0.0049 -0.0633 0.3050 0.030 Uiso 1 1 calc R . .
C29 C -0.1151(3) -0.07513(18) 0.32632(18) 0.0321(11) Uiso 1 1 d . . .
H29A H -0.1184 -0.0431 0.3430 0.038 Uiso 1 1 calc R . .
H29B H -0.1482 -0.0884 0.2969 0.038 Uiso 1 1 calc R . .
C30 C -0.1596(5) -0.0995(2) 0.3485(2) 0.0515(16) Uiso 1 1 d . . .
H30A H -0.2210 -0.0965 0.3503 0.077 Uiso 1 1 calc R . .
H30B H -0.1279 -0.0863 0.3779 0.077 Uiso 1 1 calc R . .
H30C H -0.1587 -0.1315 0.3316 0.077 Uiso 1 1 calc R . .
C31 C 0.2966(3) -0.02868(16) 0.38239(16) 0.0242(9) Uiso 1 1 d . . .
H31A H 0.2907 -0.0522 0.3514 0.029 Uiso 1 1 calc R . .
H31B H 0.3100 0.0009 0.3839 0.029 Uiso 1 1 calc R . .
C32 C 0.3757(3) -0.03118(16) 0.40672(16) 0.0245(9) Uiso 1 1 d . . .
H32A H 0.3661 -0.0612 0.4041 0.029 Uiso 1 1 calc R . .
H32B H 0.3833 -0.0081 0.4380 0.029 Uiso 1 1 calc R . .
C33 C 0.4590(3) -0.02298(17) 0.38702(17) 0.0294(10) Uiso 1 1 d . . .
H33A H 0.4735 0.0088 0.3941 0.035 Uiso 1 1 calc R . .
H33B H 0.4465 -0.0423 0.3549 0.035 Uiso 1 1 calc R . .
C34 C 0.5397(4) -0.0330(2) 0.4040(2) 0.0408(13) Uiso 1 1 d . . .
H34A H 0.5260 -0.0653 0.3950 0.049 Uiso 1 1 calc R . .
H34B H 0.5903 -0.0276 0.3897 0.049 Uiso 1 1 calc R . .
C35 C 0.5671(5) -0.0060(2) 0.4520(2) 0.0528(17) Uiso 1 1 d . . .
H35A H 0.6183 -0.0148 0.4597 0.079 Uiso 1 1 calc R . .
H35B H 0.5181 -0.0115 0.4666 0.079 Uiso 1 1 calc R . .
H35C H 0.5832 0.0261 0.4612 0.079 Uiso 1 1 calc R . .
C36 C 0.1930(3) -0.06902(14) 0.41213(15) 0.0200(8) Uiso 1 1 d . . .
H36A H 0.1387 -0.0673 0.4261 0.024 Uiso 1 1 calc R . .
H36B H 0.2432 -0.0606 0.4346 0.024 Uiso 1 1 calc R . .
C37 C 0.1852(3) -0.11793(16) 0.37673(17) 0.0279(10) Uiso 1 1 d . . .
H37A H 0.2382 -0.1205 0.3618 0.034 Uiso 1 1 calc R . .
H37B H 0.1326 -0.1281 0.3549 0.034 Uiso 1 1 calc R . .
C38 C 0.1767(4) -0.14732(18) 0.39758(19) 0.0351(12) Uiso 1 1 d . B .
H38A H 0.2314 -0.1376 0.4181 0.042 Uiso 1 1 calc R . .
H38B H 0.1271 -0.1417 0.4149 0.042 Uiso 1 1 calc R . .
C39 C 0.1614(4) -0.19712(19) 0.3666(2) 0.0385(13) Uiso 1 1 d . . .
H39A H 0.2171 -0.2035 0.3548 0.046 Uiso 0.69(3) 1 calc PR B 1
H39B H 0.1165 -0.2054 0.3420 0.046 Uiso 0.69(3) 1 calc PR B 1
H39C H 0.0997 -0.2086 0.3517 0.046 Uiso 0.31(3) 1 calc PR B 2
H39D H 0.2010 -0.2024 0.3442 0.046 Uiso 0.31(3) 1 calc PR B 2
C40A C 0.1313(8) -0.2275(3) 0.3852(3) 0.035(3) Uiso 0.69(3) 1 d P B 1
H40A H 0.1226 -0.2591 0.3622 0.053 Uiso 0.69(3) 1 calc PR B 1
H40B H 0.0754 -0.2222 0.3965 0.053 Uiso 0.69(3) 1 calc PR B 1
H40C H 0.1763 -0.2209 0.4088 0.053 Uiso 0.69(3) 1 calc PR B 1
C40B C 0.177(2) -0.2226(8) 0.3878(8) 0.049(7) Uiso 0.31(3) 1 d P B 2
H40D H 0.1396 -0.2532 0.3712 0.074 Uiso 0.31(3) 1 calc PR B 2
H40E H 0.1623 -0.2075 0.4175 0.074 Uiso 0.31(3) 1 calc PR B 2
H40F H 0.2393 -0.2240 0.3888 0.074 Uiso 0.31(3) 1 calc PR B 2
N3 N 0.2962(2) 0.03064(13) 0.10191(13) 0.0220(8) Uani 1 1 d . . .
C41 C 0.3087(3) -0.01397(15) 0.06397(15) 0.0242(9) Uiso 1 1 d . . .
H41A H 0.3693 -0.0086 0.0570 0.029 Uiso 1 1 calc R . .
H41B H 0.3051 -0.0358 0.0742 0.029 Uiso 1 1 calc R . .
C42 C 0.2445(3) -0.03595(16) 0.02206(16) 0.0269(10) Uiso 1 1 d . . .
H42A H 0.2361 -0.0130 0.0146 0.032 Uiso 1 1 calc R . .
H42B H 0.1863 -0.0497 0.0259 0.032 Uiso 1 1 calc R . .
C43 C 0.2814(3) -0.07232(17) -0.01477(17) 0.0292(10) Uiso 1 1 d . . .
H43A H 0.3405 -0.0583 -0.0175 0.035 Uiso 1 1 calc R . .
H43B H 0.2891 -0.0951 -0.0069 0.035 Uiso 1 1 calc R . .
C44 C 0.2224(4) -0.0961(2) -0.0589(2) 0.0419(13) Uiso 1 1 d . . .
H44A H 0.2178 -0.0735 -0.0675 0.050 Uiso 1 1 calc R . .
H44B H 0.2512 -0.1185 -0.0809 0.050 Uiso 1 1 calc R . .
C45 C 0.1306(5) -0.1196(2) -0.0595(2) 0.0561(18) Uiso 1 1 d . . .
H45A H 0.0970 -0.1336 -0.0886 0.084 Uiso 1 1 calc R . .
H45B H 0.1009 -0.0976 -0.0382 0.084 Uiso 1 1 calc R . .
H45C H 0.1341 -0.1428 -0.0520 0.084 Uiso 1 1 calc R . .
C46 C 0.2062(3) 0.02504(17) 0.11764(17) 0.0266(10) Uiso 1 1 d . . .
H46A H 0.1925 -0.0046 0.1160 0.032 Uiso 1 1 calc R . .
H46B H 0.2122 0.0485 0.1487 0.032 Uiso 1 1 calc R . .
C47 C 0.1275(3) 0.02787(18) 0.09336(18) 0.0310(11) Uiso 1 1 d . C .
H47A H 0.1214 0.0056 0.0619 0.037 Uiso 1 1 calc R . .
H47B H 0.1368 0.0583 0.0969 0.037 Uiso 1 1 calc R . .
C48 C 0.0428(4) 0.01819(19) 0.11162(19) 0.0361(12) Uiso 1 1 d . . .
H48A H 0.0543 0.0359 0.1438 0.043 Uiso 0.739(14) 1 calc PR C 1
H48B H 0.0275 -0.0141 0.1027 0.043 Uiso 0.739(14) 1 calc PR C 1
H48C H 0.0441 -0.0074 0.1163 0.043 Uiso 0.261(14) 1 calc PR C 2
H48D H 0.0429 0.0449 0.1403 0.043 Uiso 0.261(14) 1 calc PR C 2
C49A C -0.0382(6) 0.0303(3) 0.0952(3) 0.041(2) Uiso 0.739(14) 1 d P C 1
H49A H -0.0897 0.0248 0.1090 0.049 Uiso 0.739(14) 1 calc PR C 1
H49B H -0.0231 0.0627 0.1046 0.049 Uiso 0.739(14) 1 calc PR C 1
C50A C -0.0635(6) 0.0032(3) 0.0464(3) 0.053(3) Uiso 0.739(14) 1 d P C 1
H50A H -0.0420 -0.0246 0.0347 0.080 Uiso 0.739(14) 1 calc PR C 1
H50B H -0.0369 0.0210 0.0336 0.080 Uiso 0.739(14) 1 calc PR C 1
H50C H -0.1281 -0.0044 0.0392 0.080 Uiso 0.739(14) 1 calc PR C 1
C49B C -0.0383(12) 0.0076(7) 0.0840(6) 0.024(4) Uiso 0.261(14) 1 d P C 2
H49C H -0.0893 0.0003 0.0971 0.029 Uiso 0.261(14) 1 calc PR C 2
H49D H -0.0393 -0.0192 0.0552 0.029 Uiso 0.261(14) 1 calc PR C 2
C50B C -0.0466(18) 0.0454(9) 0.0781(9) 0.051(7) Uiso 0.261(14) 1 d P C 2
H50D H 0.0107 0.0671 0.0878 0.076 Uiso 0.261(14) 1 calc PR C 2
H50E H -0.0907 0.0602 0.0953 0.076 Uiso 0.261(14) 1 calc PR C 2
H50F H -0.0652 0.0342 0.0473 0.076 Uiso 0.261(14) 1 calc PR C 2
C51 C 0.3091(3) 0.06528(15) 0.08745(15) 0.0220(9) Uiso 1 1 d . . .
H51A H 0.3623 0.0629 0.0726 0.026 Uiso 1 1 calc R . .
H51B H 0.2578 0.0573 0.0657 0.026 Uiso 1 1 calc R . .
C52 C 0.3197(3) 0.11393(16) 0.12288(17) 0.0283(10) Uiso 1 1 d . . .
H52A H 0.3780 0.1250 0.1411 0.034 Uiso 1 1 calc R . .
H52B H 0.2732 0.1163 0.1418 0.034 Uiso 1 1 calc R . .
C53 C 0.3122(4) 0.14266(18) 0.10211(19) 0.0362(12) Uiso 1 1 d . D .
H53A H 0.3445 0.1323 0.0767 0.043 Uiso 1 1 calc R . .
H53B H 0.2491 0.1369 0.0911 0.043 Uiso 1 1 calc R . .
C54 C 0.3464(4) 0.1926(2) 0.1309(2) 0.0407(13) Uiso 1 1 d . . .
H54A H 0.3057 0.2035 0.1527 0.049 Uiso 0.61(4) 1 calc PR D 1
H54B H 0.4043 0.1976 0.1470 0.049 Uiso 0.61(4) 1 calc PR D 1
H54C H 0.4119 0.1996 0.1357 0.049 Uiso 0.39(4) 1 calc PR D 2
H54D H 0.3259 0.2023 0.1596 0.049 Uiso 0.39(4) 1 calc PR D 2
C55A C 0.3585(15) 0.2220(4) 0.1111(4) 0.055(4) Uiso 0.61(4) 1 d P D 1
H55A H 0.3054 0.2141 0.0908 0.083 Uiso 0.61(4) 1 calc PR D 1
H55B H 0.4098 0.2176 0.0954 0.083 Uiso 0.61(4) 1 calc PR D 1
H55C H 0.3682 0.2537 0.1342 0.083 Uiso 0.61(4) 1 calc PR D 1
C55B C 0.3157(16) 0.2186(5) 0.1116(5) 0.037(5) Uiso 0.39(4) 1 d P D 2
H55D H 0.2531 0.2057 0.0992 0.056 Uiso 0.39(4) 1 calc PR D 2
H55E H 0.3508 0.2169 0.0886 0.056 Uiso 0.39(4) 1 calc PR D 2
H55F H 0.3233 0.2502 0.1344 0.056 Uiso 0.39(4) 1 calc PR D 2
C56 C 0.3650(3) 0.04419(16) 0.14052(15) 0.0231(9) Uiso 1 1 d . . .
H56A H 0.3579 0.0730 0.1652 0.028 Uiso 1 1 calc R . .
H56B H 0.3514 0.0212 0.1493 0.028 Uiso 1 1 calc R . .
C57 C 0.4618(3) 0.04978(16) 0.13347(16) 0.0259(9) Uiso 1 1 d . . .
H57A H 0.4746 0.0198 0.1148 0.031 Uiso 1 1 calc R . .
H57B H 0.4739 0.0674 0.1186 0.031 Uiso 1 1 calc R . .
C58 C 0.5207(3) 0.07402(17) 0.17734(17) 0.0279(10) Uiso 1 1 d . . .
H58A H 0.4994 0.0598 0.1944 0.034 Uiso 1 1 calc R . .
H58B H 0.5154 0.1057 0.1935 0.034 Uiso 1 1 calc R . .
C59 C 0.6179(4) 0.07328(19) 0.17362(19) 0.0356(12) Uiso 1 1 d . . .
H59A H 0.6506 0.0861 0.2031 0.043 Uiso 1 1 calc R . .
H59B H 0.6229 0.0416 0.1561 0.043 Uiso 1 1 calc R . .
C60 C 0.6609(5) 0.0994(2) 0.1529(2) 0.0555(17) Uiso 1 1 d . . .
H60A H 0.7228 0.0973 0.1511 0.083 Uiso 1 1 calc R . .
H60B H 0.6584 0.1311 0.1706 0.083 Uiso 1 1 calc R . .
H60C H 0.6294 0.0868 0.1235 0.083 Uiso 1 1 calc R . .
N4 N 0.3890(3) 0.73669(13) 0.17968(13) 0.0260(9) Uani 1 1 d . F .
C61 C 0.4479(3) 0.71766(16) 0.19806(16) 0.0248(9) Uiso 1 1 d . . .
H61A H 0.4143 0.7078 0.2161 0.030 Uiso 1 1 calc R . .
H61B H 0.4618 0.6907 0.1735 0.030 Uiso 1 1 calc R . .
C62 C 0.5341(3) 0.75024(17) 0.22538(18) 0.0306(11) Uiso 1 1 d . . .
H62A H 0.5217 0.7742 0.2532 0.037 Uiso 1 1 calc R . .
H62B H 0.5634 0.7647 0.2097 0.037 Uiso 1 1 calc R . .
C63 C 0.5955(3) 0.72550(18) 0.23457(18) 0.0322(11) Uiso 1 1 d . . .
H63A H 0.6143 0.7047 0.2069 0.039 Uiso 1 1 calc R . .
H63B H 0.5620 0.7071 0.2456 0.039 Uiso 1 1 calc R . .
C64 C 0.6783(4) 0.7568(2) 0.2677(2) 0.0452(14) Uiso 1 1 d . . .
H64A H 0.7194 0.7384 0.2680 0.054 Uiso 1 1 calc R . .
H64B H 0.7086 0.7775 0.2583 0.054 Uiso 1 1 calc R . .
C65 C 0.6571(4) 0.7843(2) 0.3134(2) 0.0486(15) Uiso 1 1 d . . .
H65A H 0.7119 0.8037 0.3331 0.073 Uiso 1 1 calc R . .
H65B H 0.6284 0.7640 0.3232 0.073 Uiso 1 1 calc R . .
H65C H 0.6171 0.8030 0.3134 0.073 Uiso 1 1 calc R . .
C66 C 0.4340(3) 0.74789(17) 0.14756(17) 0.0303(10) Uiso 1 1 d . . .
H66A H 0.3933 0.7593 0.1357 0.036 Uiso 1 1 calc R . .
H66B H 0.4876 0.7724 0.1635 0.036 Uiso 1 1 calc R . .
C67 C 0.4602(4) 0.7085(2) 0.1100(2) 0.0464(15) Uiso 1 1 d . . .
H67A H 0.5063 0.6992 0.1214 0.056 Uiso 1 1 calc R . .
H67B H 0.4082 0.6827 0.0957 0.056 Uiso 1 1 calc R . .
C68 C 0.4950(5) 0.7198(2) 0.0766(2) 0.0498(16) Uiso 1 1 d . E .
H68A H 0.5525 0.7419 0.0895 0.060 Uiso 1 1 calc R . .
H68B H 0.4534 0.7341 0.0691 0.060 Uiso 1 1 calc R . .
C69 C 0.5070(6) 0.6785(3) 0.0347(3) 0.066(2) Uiso 1 1 d . . .
H69A H 0.5430 0.6891 0.0178 0.079 Uiso 0.654(15) 1 calc PR E 1
H69B H 0.5411 0.6616 0.0428 0.079 Uiso 0.654(15) 1 calc PR E 1
H69C H 0.4478 0.6608 0.0179 0.079 Uiso 0.346(15) 1 calc PR E 2
H69D H 0.5397 0.6892 0.0170 0.079 Uiso 0.346(15) 1 calc PR E 2
C70A C 0.4324(14) 0.6500(7) 0.0090(7) 0.139(8) Uiso 0.654(15) 1 d P E 1
H70A H 0.4469 0.6250 -0.0168 0.208 Uiso 0.654(15) 1 calc PR E 1
H70B H 0.3986 0.6660 0.0000 0.208 Uiso 0.654(15) 1 calc PR E 1
H70C H 0.3969 0.6383 0.0250 0.208 Uiso 0.654(15) 1 calc PR E 1
C70B C 0.5554(12) 0.6467(6) 0.0400(6) 0.046(5) Uiso 0.346(15) 1 d P E 2
H70D H 0.5589 0.6216 0.0113 0.068 Uiso 0.346(15) 1 calc PR E 2
H70E H 0.5230 0.6348 0.0567 0.068 Uiso 0.346(15) 1 calc PR E 2
H70F H 0.6153 0.6632 0.0556 0.068 Uiso 0.346(15) 1 calc PR E 2
C71 C 0.3022(3) 0.70145(18) 0.15688(18) 0.0321(11) Uiso 1 1 d D . .
H71A H 0.3157 0.6728 0.1350 0.039 Uiso 0.59(3) 1 calc PR F 1
H71B H 0.2727 0.6960 0.1786 0.039 Uiso 0.59(3) 1 calc PR F 1
H71C H 0.2832 0.6891 0.1758 0.039 Uiso 0.41(3) 1 calc PR F 2
H71D H 0.3142 0.6764 0.1297 0.039 Uiso 0.41(3) 1 calc PR F 2
C72A C 0.2396(8) 0.7145(3) 0.1348(4) 0.026(2) Uiso 0.59(3) 1 d P F 1
H72A H 0.2651 0.7167 0.1106 0.031 Uiso 0.59(3) 1 calc PR F 1
H72B H 0.2282 0.7441 0.1557 0.031 Uiso 0.59(3) 1 calc PR F 1
C73A C 0.1529(7) 0.6778(3) 0.1171(4) 0.025(2) Uiso 0.59(3) 1 d P F 1
H73A H 0.1395 0.6684 0.1388 0.030 Uiso 0.59(3) 1 calc PR F 1
H73B H 0.1608 0.6512 0.0901 0.030 Uiso 0.59(3) 1 calc PR F 1
C72B C 0.2229(9) 0.7176(5) 0.1450(6) 0.027(3) Uiso 0.41(3) 1 d PD F 2
H72C H 0.2171 0.7458 0.1709 0.033 Uiso 0.41(3) 1 calc PR F 2
H72D H 0.2369 0.7245 0.1218 0.033 Uiso 0.41(3) 1 calc PR F 2
C73B C 0.1343(12) 0.6835(5) 0.1298(7) 0.034(4) Uiso 0.41(3) 1 d P F 2
H73C H 0.1429 0.6529 0.1099 0.041 Uiso 0.41(3) 1 calc PR F 2
H73D H 0.1100 0.6837 0.1552 0.041 Uiso 0.41(3) 1 calc PR F 2
C74 C 0.0718(5) 0.6948(2) 0.1071(2) 0.0538(17) Uiso 1 1 d . . .
H74A H 0.0661 0.7223 0.1339 0.065 Uiso 0.59(3) 1 calc PR F 1
H74B H 0.0851 0.7034 0.0848 0.065 Uiso 0.59(3) 1 calc PR F 1
H74C H 0.0968 0.6953 0.0821 0.065 Uiso 0.41(3) 1 calc PR F 2
H74D H 0.0626 0.7252 0.1271 0.065 Uiso 0.41(3) 1 calc PR F 2
C75 C -0.0164(6) 0.6605(3) 0.0910(3) 0.075(2) Uiso 1 1 d . F .
H75A H -0.0614 0.6722 0.0825 0.113 Uiso 1 1 calc R . .
H75B H -0.0344 0.6549 0.1143 0.113 Uiso 1 1 calc R . .
H75C H -0.0103 0.6322 0.0658 0.113 Uiso 1 1 calc R . .
C76 C 0.3710(3) 0.78007(15) 0.21600(15) 0.0231(9) Uiso 1 1 d . . .
H76A H 0.4281 0.8014 0.2322 0.028 Uiso 1 1 calc R F .
H76B H 0.3395 0.7939 0.2030 0.028 Uiso 1 1 calc R . .
C77 C 0.3164(3) 0.77324(16) 0.24771(16) 0.0263(10) Uiso 1 1 d . F .
H77A H 0.3423 0.7551 0.2573 0.032 Uiso 1 1 calc R . .
H77B H 0.2554 0.7564 0.2329 0.032 Uiso 1 1 calc R . .
C78 C 0.3135(3) 0.81822(17) 0.28730(17) 0.0295(10) Uiso 1 1 d . . .
H78A H 0.3005 0.8386 0.2772 0.035 Uiso 1 1 calc R F .
H78B H 0.2642 0.8132 0.3025 0.035 Uiso 1 1 calc R . .
C79 C 0.3981(4) 0.8413(2) 0.3196(2) 0.0396(13) Uiso 1 1 d . F .
H79A H 0.3934 0.8718 0.3419 0.047 Uiso 1 1 calc R . .
H79B H 0.4480 0.8448 0.3041 0.047 Uiso 1 1 calc R . .
C80 C 0.4189(6) 0.8158(3) 0.3424(3) 0.068(2) Uiso 1 1 d . . .
H80A H 0.4743 0.8324 0.3626 0.102 Uiso 1 1 calc R F .
H80B H 0.4250 0.7857 0.3206 0.102 Uiso 1 1 calc R . .
H80C H 0.3707 0.8130 0.3587 0.102 Uiso 1 1 calc R . .
N5 N -0.1987(3) 0.25168(13) 0.04666(13) 0.0270(9) Uani 1 1 d . . .
C81 C -0.2558(3) 0.22096(17) 0.00185(17) 0.0280(10) Uiso 1 1 d . . .
H81A H -0.2182 0.2191 -0.0206 0.034 Uiso 1 1 calc R . .
H81B H -0.2736 0.1903 -0.0023 0.034 Uiso 1 1 calc R . .
C82 C -0.3395(3) 0.23457(18) -0.00650(18) 0.0312(11) Uiso 1 1 d . . .
H82A H -0.3484 0.2261 -0.0375 0.037 Uiso 1 1 calc R . .
H82B H -0.3292 0.2678 0.0111 0.037 Uiso 1 1 calc R . .
C83 C -0.4252(3) 0.21413(18) 0.00367(18) 0.0316(11) Uiso 1 1 d . . .
H83A H -0.4303 0.1814 -0.0089 0.038 Uiso 1 1 calc R . .
H83B H -0.4227 0.2280 0.0356 0.038 Uiso 1 1 calc R . .
C84 C -0.5069(4) 0.22155(19) -0.01473(19) 0.0345(12) Uiso 1 1 d . . .
H84A H -0.5017 0.2543 -0.0022 0.041 Uiso 1 1 calc R . .
H84B H -0.5094 0.2077 -0.0467 0.041 Uiso 1 1 calc R . .
C85 C -0.5920(4) 0.2015(2) -0.0047(2) 0.0502(16) Uiso 1 1 d . . .
H85A H -0.6424 0.2070 -0.0171 0.075 Uiso 1 1 calc R . .
H85B H -0.5904 0.2155 0.0269 0.075 Uiso 1 1 calc R . .
H85C H -0.5981 0.1690 -0.0175 0.075 Uiso 1 1 calc R . .
C86 C -0.1228(3) 0.22981(17) 0.04681(17) 0.0291(10) Uiso 1 1 d . . .
H86A H -0.0850 0.2308 0.0253 0.035 Uiso 1 1 calc R . .
H86B H -0.1475 0.1977 0.0372 0.035 Uiso 1 1 calc R . .
C87 C -0.0649(3) 0.25187(18) 0.09112(18) 0.0319(11) Uiso 1 1 d . . .
H87A H -0.0589 0.2849 0.1060 0.038 Uiso 1 1 calc R . .
H87B H -0.0948 0.2409 0.1093 0.038 Uiso 1 1 calc R . .
C88 C 0.0269(4) 0.24221(19) 0.08773(19) 0.0361(12) Uiso 1 1 d . . .
H88A H 0.0212 0.2094 0.0687 0.043 Uiso 1 1 calc R . .
H88B H 0.0552 0.2510 0.1170 0.043 Uiso 1 1 calc R . .
C89 C 0.0866(4) 0.2672(2) 0.0696(2) 0.0392(13) Uiso 1 1 d . . .
H89A H 0.0642 0.2541 0.0384 0.047 Uiso 1 1 calc R . .
H89B H 0.0828 0.2991 0.0850 0.047 Uiso 1 1 calc R . .
C90 C 0.1829(4) 0.2652(2) 0.0737(2) 0.0522(16) Uiso 1 1 d . . .
H90A H 0.2170 0.2818 0.0615 0.078 Uiso 1 1 calc R . .
H90B H 0.1877 0.2337 0.0579 0.078 Uiso 1 1 calc R . .
H90C H 0.2064 0.2788 0.1045 0.078 Uiso 1 1 calc R . .
C91 C -0.1642(3) 0.29889(17) 0.05420(17) 0.0297(10) Uiso 1 1 d . . .
H91A H -0.2156 0.3118 0.0538 0.036 Uiso 1 1 calc R . .
H91B H -0.1299 0.3177 0.0837 0.036 Uiso 1 1 calc R . .
C92 C -0.1069(4) 0.3029(2) 0.0224(2) 0.0425(14) Uiso 1 1 d . . .
H92A H -0.1339 0.2794 -0.0077 0.051 Uiso 1 1 calc R . .
H92B H -0.0478 0.2983 0.0278 0.051 Uiso 1 1 calc R . .
C93 C -0.0967(5) 0.3494(2) 0.0270(2) 0.0523(16) Uiso 1 1 d . G .
H93A H -0.0752 0.3726 0.0578 0.063 Uiso 1 1 calc R . .
H93B H -0.0509 0.3530 0.0095 0.063 Uiso 1 1 calc R . .
C94 C -0.1804(7) 0.3582(4) 0.0128(4) 0.091(3) Uiso 1 1 d . . .
H94A H -0.2056 0.3326 -0.0166 0.109 Uiso 0.602(17) 1 calc PR G 1
H94B H -0.2235 0.3578 0.0326 0.109 Uiso 0.602(17) 1 calc PR G 1
H94C H -0.2243 0.3569 0.0319 0.109 Uiso 0.398(17) 1 calc PR G 2
H94D H -0.1665 0.3895 0.0183 0.109 Uiso 0.398(17) 1 calc PR G 2
C95A C -0.1747(13) 0.4000(6) 0.0116(6) 0.105(7) Uiso 0.602(17) 1 d P G 1
H95A H -0.2330 0.4004 0.0006 0.158 Uiso 0.602(17) 1 calc PR G 1
H95B H -0.1322 0.4014 -0.0077 0.158 Uiso 0.602(17) 1 calc PR G 1
H95C H -0.1550 0.4260 0.0410 0.158 Uiso 0.602(17) 1 calc PR G 1
C95B C -0.2131(16) 0.3352(8) -0.0221(8) 0.078(8) Uiso 0.398(17) 1 d P G 2
H95D H -0.2677 0.3437 -0.0264 0.118 Uiso 0.398(17) 1 calc PR G 2
H95E H -0.2273 0.3040 -0.0284 0.118 Uiso 0.398(17) 1 calc PR G 2
H95F H -0.1728 0.3379 -0.0417 0.118 Uiso 0.398(17) 1 calc PR G 2
C96 C -0.2528(3) 0.25689(17) 0.08305(17) 0.0280(10) Uiso 1 1 d . . .
H96A H -0.3021 0.2704 0.0810 0.034 Uiso 1 1 calc R . .
H96B H -0.2148 0.2784 0.1112 0.034 Uiso 1 1 calc R . .
C97 C -0.2913(4) 0.21360(18) 0.08334(18) 0.0328(11) Uiso 1 1 d . . .
H97A H -0.3243 0.1903 0.0543 0.039 Uiso 1 1 calc R . .
H97B H -0.2430 0.2020 0.0900 0.039 Uiso 1 1 calc R . .
C98 C -0.3529(4) 0.2237(2) 0.1176(2) 0.0403(13) Uiso 1 1 d . . .
H98A H -0.4002 0.2357 0.1107 0.048 Uiso 1 1 calc R . .
H98B H -0.3191 0.2475 0.1463 0.048 Uiso 1 1 calc R . .
C99 C -0.3954(4) 0.1825(2) 0.1210(2) 0.0455(14) Uiso 1 1 d . . .
H99A H -0.3480 0.1711 0.1288 0.055 Uiso 1 1 calc R . .
H99B H -0.4321 0.1920 0.1448 0.055 Uiso 1 1 calc R . .
C100 C -0.4519(6) 0.1448(3) 0.0799(3) 0.071(2) Uiso 1 1 d . . .
H100A H -0.4295 0.1175 0.0702 0.107 Uiso 1 1 calc R . .
H100B H -0.4502 0.1532 0.0574 0.107 Uiso 1 1 calc R . .
H100C H -0.5130 0.1392 0.0855 0.107 Uiso 1 1 calc R . .
N6 N 0.7893(2) -0.07834(13) 0.13074(12) 0.0236(8) Uani 1 1 d . . .
C101 C 0.8603(3) -0.09405(16) 0.10192(16) 0.0249(9) Uiso 1 1 d . . .
H101A H 0.8781 -0.0731 0.0909 0.030 Uiso 1 1 calc R . .
H101B H 0.9128 -0.0915 0.1203 0.030 Uiso 1 1 calc R . .
C102 C 0.8356(3) -0.14170(17) 0.06322(17) 0.0311(11) Uiso 1 1 d . . .
H102A H 0.7874 -0.1441 0.0428 0.037 Uiso 1 1 calc R . .
H102B H 0.8136 -0.1630 0.0733 0.037 Uiso 1 1 calc R . .
C103 C 0.9158(4) -0.15437(19) 0.03956(19) 0.0348(12) Uiso 1 1 d . . .
H103A H 0.9623 -0.1529 0.0602 0.042 Uiso 1 1 calc R . .
H103B H 0.8977 -0.1860 0.0155 0.042 Uiso 1 1 calc R . .
C104 C 0.9562(4) -0.1255(2) 0.0209(2) 0.0411(13) Uiso 1 1 d . . .
H104A H 0.9778 -0.0941 0.0451 0.049 Uiso 1 1 calc R . .
H104B H 1.0081 -0.1363 0.0075 0.049 Uiso 1 1 calc R . .
C105 C 0.8950(5) -0.1252(2) -0.0126(2) 0.0513(16) Uiso 1 1 d . . .
H105A H 0.9266 -0.1056 -0.0225 0.077 Uiso 1 1 calc R . .
H105B H 0.8438 -0.1140 0.0003 0.077 Uiso 1 1 calc R . .
H105C H 0.8750 -0.1559 -0.0375 0.077 Uiso 1 1 calc R . .
C106 C 0.7062(3) -0.08194(16) 0.10473(16) 0.0251(9) Uiso 1 1 d . . .
H106A H 0.6813 -0.1141 0.0831 0.030 Uiso 1 1 calc R . .
H106B H 0.6621 -0.0712 0.1247 0.030 Uiso 1 1 calc R . .
C107 C 0.7188(3) -0.05580(18) 0.08111(18) 0.0318(11) Uiso 1 1 d . . .
H107A H 0.7554 -0.0693 0.0578 0.038 Uiso 1 1 calc R . .
H107B H 0.7505 -0.0243 0.1017 0.038 Uiso 1 1 calc R . .
C108 C 0.6301(3) -0.05612(18) 0.06115(18) 0.0310(11) Uiso 1 1 d . . .
H108A H 0.5959 -0.0877 0.0430 0.037 Uiso 1 1 calc R . .
H108B H 0.5961 -0.0400 0.0848 0.037 Uiso 1 1 calc R . .
C109 C 0.6402(4) -0.0345(2) 0.0337(2) 0.0477(15) Uiso 1 1 d . . .
H109A H 0.6789 -0.0039 0.0512 0.057 Uiso 1 1 calc R . .
H109B H 0.6702 -0.0522 0.0088 0.057 Uiso 1 1 calc R . .
C110 C 0.5551(5) -0.0309(2) 0.0165(2) 0.0545(17) Uiso 1 1 d . . .
H110A H 0.5668 -0.0166 -0.0012 0.082 Uiso 1 1 calc R . .
H110B H 0.5257 -0.0126 0.0409 0.082 Uiso 1 1 calc R . .
H110C H 0.5167 -0.0611 -0.0014 0.082 Uiso 1 1 calc R . .
C111 C 0.8304(3) -0.02963(15) 0.16636(15) 0.0233(9) Uiso 1 1 d . . .
H111A H 0.8758 -0.0300 0.1863 0.028 Uiso 1 1 calc R . .
H111B H 0.8608 -0.0133 0.1526 0.028 Uiso 1 1 calc R . .
C112 C 0.7651(3) -0.00339(15) 0.19331(15) 0.0219(9) Uiso 1 1 d . . .
H112A H 0.7401 -0.0169 0.2105 0.026 Uiso 1 1 calc R . .
H112B H 0.7158 -0.0055 0.1736 0.026 Uiso 1 1 calc R . .
C113 C 0.8110(3) 0.04658(15) 0.22437(15) 0.0220(9) Uiso 1 1 d . . .
H113A H 0.7669 0.0625 0.2412 0.026 Uiso 1 1 calc R . .
H113B H 0.8574 0.0484 0.2453 0.026 Uiso 1 1 calc R . .
C114 C 0.8529(3) 0.07057(16) 0.20113(17) 0.0283(10) Uiso 1 1 d . . .
H114A H 0.9096 0.0620 0.1930 0.034 Uiso 1 1 calc R . .
H114B H 0.8134 0.0602 0.1740 0.034 Uiso 1 1 calc R . .
C115 C 0.8700(4) 0.12156(17) 0.22857(18) 0.0330(11) Uiso 1 1 d . . .
H115A H 0.8967 0.1350 0.2120 0.050 Uiso 1 1 calc R . .
H115B H 0.9104 0.1322 0.2552 0.050 Uiso 1 1 calc R . .
H115C H 0.8140 0.1304 0.2363 0.050 Uiso 1 1 calc R . .
C116 C 0.7616(3) -0.10788(16) 0.15072(16) 0.0236(9) Uiso 1 1 d . . .
H116A H 0.7185 -0.0952 0.1706 0.028 Uiso 1 1 calc R . .
H116B H 0.7306 -0.1383 0.1270 0.028 Uiso 1 1 calc R . .
C117 C 0.8353(4) -0.11313(18) 0.17586(18) 0.0333(11) Uiso 1 1 d . H .
H117A H 0.8585 -0.0844 0.2035 0.040 Uiso 1 1 calc R . .
H117B H 0.8844 -0.1206 0.1585 0.040 Uiso 1 1 calc R . .
C118 C 0.7994(4) -0.15064(19) 0.1856(2) 0.0390(13) Uiso 1 1 d . . .
H118A H 0.8385 -0.1460 0.2108 0.047 Uiso 0.640(10) 1 calc PR H 1
H118B H 0.7401 -0.1477 0.1945 0.047 Uiso 0.640(10) 1 calc PR H 1
H118C H 0.7684 -0.1386 0.2115 0.047 Uiso 0.360(10) 1 calc PR H 2
H118D H 0.7563 -0.1752 0.1606 0.047 Uiso 0.360(10) 1 calc PR H 2
C119A C 0.7919(6) -0.1972(3) 0.1493(3) 0.035(2) Uiso 0.640(10) 1 d P H 1
H119A H 0.8521 -0.2014 0.1429 0.042 Uiso 0.640(10) 1 calc PR H 1
H119B H 0.7591 -0.2008 0.1231 0.042 Uiso 0.640(10) 1 calc PR H 1
C120A C 0.7451(7) -0.2348(4) 0.1579(4) 0.053(3) Uiso 0.640(10) 1 d P H 1
H120A H 0.7427 -0.2644 0.1323 0.080 Uiso 0.640(10) 1 calc PR H 1
H120B H 0.6849 -0.2315 0.1636 0.080 Uiso 0.640(10) 1 calc PR H 1
H120C H 0.7782 -0.2323 0.1832 0.080 Uiso 0.640(10) 1 calc PR H 1
C119B C 0.8712(17) -0.1685(9) 0.1938(9) 0.080(8) Uiso 0.360(10) 1 d P H 2
H119C H 0.9088 -0.1457 0.2217 0.096 Uiso 0.360(10) 1 calc PR H 2
H119D H 0.9085 -0.1761 0.1702 0.096 Uiso 0.360(10) 1 calc PR H 2
C120B C 0.830(2) -0.2110(12) 0.1954(12) 0.126(13) Uiso 0.360(10) 1 d P H 2
H120D H 0.8764 -0.2232 0.2017 0.189 Uiso 0.360(10) 1 calc PR H 2
H120E H 0.7940 -0.2336 0.1673 0.189 Uiso 0.360(10) 1 calc PR H 2
H120F H 0.7917 -0.2032 0.2184 0.189 Uiso 0.360(10) 1 calc PR H 2
N7 N 0.2923(3) 0.55622(14) 0.44240(15) 0.0377(11) Uani 1 1 d . . .
C121 C 0.3201(4) 0.60518(18) 0.47891(18) 0.0337(11) Uiso 1 1 d . . .
H121A H 0.2708 0.6124 0.4962 0.040 Uiso 1 1 calc R . .
H121B H 0.3709 0.6081 0.4984 0.040 Uiso 1 1 calc R . .
C122 C 0.3455(4) 0.63976(18) 0.46557(19) 0.0364(12) Uiso 1 1 d . . .
H122A H 0.2980 0.6356 0.4438 0.044 Uiso 1 1 calc R . .
H122B H 0.4003 0.6360 0.4521 0.044 Uiso 1 1 calc R . .
C123 C 0.3606(4) 0.68776(19) 0.50591(19) 0.0378(12) Uiso 1 1 d . . .
H123A H 0.4013 0.6899 0.5292 0.045 Uiso 1 1 calc R . .
H123B H 0.3896 0.7099 0.4980 0.045 Uiso 1 1 calc R . .
C124 C 0.2755(6) 0.7002(3) 0.5237(3) 0.073(2) Uiso 1 1 d . . .
H124A H 0.2318 0.6936 0.4992 0.088 Uiso 1 1 calc R . .
H124B H 0.2512 0.6806 0.5353 0.088 Uiso 1 1 calc R . .
C125 C 0.2851(7) 0.7465(3) 0.5573(3) 0.095(3) Uiso 1 1 d . . .
H125A H 0.2274 0.7514 0.5665 0.143 Uiso 1 1 calc R . .
H125B H 0.3078 0.7664 0.5461 0.143 Uiso 1 1 calc R . .
H125C H 0.3265 0.7533 0.5823 0.143 Uiso 1 1 calc R . .
C126 C 0.3697(4) 0.5394(2) 0.4188(2) 0.0399(13) Uiso 1 1 d . . .
H126A H 0.3457 0.5102 0.3918 0.048 Uiso 1 1 calc R . .
H126B H 0.3983 0.5611 0.4101 0.048 Uiso 1 1 calc R . .
C127 C 0.4406(5) 0.5330(3) 0.4445(3) 0.0573(18) Uiso 1 1 d . . .
H127A H 0.4675 0.5621 0.4711 0.069 Uiso 1 1 calc R . .
H127B H 0.4136 0.5114 0.4535 0.069 Uiso 1 1 calc R . .
C128 C 0.5116(6) 0.5153(3) 0.4164(3) 0.077(2) Uiso 1 1 d . . .
H128A H 0.5467 0.5400 0.4132 0.092 Uiso 1 1 calc R . .
H128B H 0.4822 0.4910 0.3870 0.092 Uiso 1 1 calc R . .
C129 C 0.5749(7) 0.4970(4) 0.4341(4) 0.099(3) Uiso 1 1 d . . .
H129A H 0.6306 0.4982 0.4215 0.119 Uiso 1 1 calc R . .
H129B H 0.5896 0.5173 0.4660 0.119 Uiso 1 1 calc R . .
C130 C 0.5429(9) 0.4532(5) 0.4256(5) 0.140(5) Uiso 1 1 d . . .
H130A H 0.5862 0.4452 0.4395 0.211 Uiso 1 1 calc R . .
H130B H 0.5332 0.4324 0.3941 0.211 Uiso 1 1 calc R . .
H130C H 0.4870 0.4514 0.4372 0.211 Uiso 1 1 calc R . .
C131 C 0.2210(3) 0.54896(18) 0.40824(18) 0.0323(11) Uiso 1 1 d . . .
H131A H 0.2456 0.5658 0.3939 0.039 Uiso 1 1 calc R . .
H131B H 0.2055 0.5166 0.3858 0.039 Uiso 1 1 calc R . .
C132 C 0.1376(5) 0.5630(3) 0.4244(2) 0.0558(18) Uiso 1 1 d . . .
H132A H 0.1132 0.5478 0.4403 0.067 Uiso 1 1 calc R . .
H132B H 0.1502 0.5959 0.4445 0.067 Uiso 1 1 calc R . .
C133 C 0.0725(5) 0.5499(2) 0.3860(2) 0.0537(17) Uiso 1 1 d . . .
H133A H 0.0693 0.5180 0.3641 0.064 Uiso 1 1 calc R . .
H133B H 0.0953 0.5683 0.3729 0.064 Uiso 1 1 calc R . .
C134 C -0.0195(5) 0.5551(3) 0.3949(3) 0.0615(19) Uiso 1 1 d . . .
H134A H -0.0162 0.5868 0.4175 0.074 Uiso 1 1 calc R . .
H134B H -0.0539 0.5494 0.3681 0.074 Uiso 1 1 calc R . .
C135 C -0.0688(6) 0.5257(3) 0.4094(3) 0.080(3) Uiso 1 1 d . . .
H135A H -0.1274 0.5321 0.4148 0.120 Uiso 1 1 calc R . .
H135B H -0.0364 0.5312 0.4364 0.120 Uiso 1 1 calc R . .
H135C H -0.0755 0.4941 0.3868 0.120 Uiso 1 1 calc R . .
C136 C 0.2601(5) 0.5301(2) 0.4655(2) 0.0480(15) Uiso 1 1 d . . .
H136A H 0.3090 0.5357 0.4874 0.058 Uiso 1 1 calc R . .
H136B H 0.2111 0.5418 0.4812 0.058 Uiso 1 1 calc R . .
C137 C 0.2283(5) 0.4793(2) 0.4347(2) 0.0537(17) Uiso 1 1 d . . .
H137A H 0.2726 0.4682 0.4150 0.064 Uiso 1 1 calc R . .
H137B H 0.1720 0.4731 0.4167 0.064 Uiso 1 1 calc R . .
C138 C 0.2141(5) 0.4540(3) 0.4604(3) 0.062(2) Uiso 1 1 d . . .
H138A H 0.2024 0.4213 0.4395 0.075 Uiso 1 1 calc R . .
H138B H 0.2695 0.4624 0.4800 0.075 Uiso 1 1 calc R . .
C139 C 0.1418(5) 0.4631(3) 0.4864(3) 0.069(2) Uiso 1 1 d . . .
H139A H 0.1528 0.4959 0.5069 0.083 Uiso 1 1 calc R . .
H139B H 0.1422 0.4482 0.5039 0.083 Uiso 1 1 calc R . .
C140 C 0.0487(8) 0.4469(4) 0.4596(4) 0.112(4) Uiso 1 1 d . . .
H140A H 0.0042 0.4542 0.4793 0.168 Uiso 1 1 calc R . .
H140B H 0.0363 0.4143 0.4397 0.168 Uiso 1 1 calc R . .
H140C H 0.0469 0.4621 0.4427 0.168 Uiso 1 1 calc R . .
N8 N 0.1152(3) 0.25959(13) 0.31907(14) 0.0293(9) Uani 1 1 d . . .
C141 C 0.0568(3) 0.27951(17) 0.30161(17) 0.0276(10) Uiso 1 1 d . . .
H141A H 0.0453 0.3070 0.3265 0.033 Uiso 1 1 calc R . .
H141B H 0.0898 0.2888 0.2830 0.033 Uiso 1 1 calc R . .
C142 C -0.0313(4) 0.24835(19) 0.2755(2) 0.0377(12) Uiso 1 1 d . . .
H142A H -0.0623 0.2359 0.2923 0.045 Uiso 1 1 calc R . .
H142B H -0.0212 0.2229 0.2481 0.045 Uiso 1 1 calc R . .
C143 C -0.0886(4) 0.2739(2) 0.2650(2) 0.0397(13) Uiso 1 1 d . . .
H143A H -0.0522 0.2914 0.2538 0.048 Uiso 1 1 calc R . .
H143B H -0.1070 0.2956 0.2923 0.048 Uiso 1 1 calc R . .
C144 C -0.1718(5) 0.2439(3) 0.2316(2) 0.0581(18) Uiso 1 1 d . . .
H144A H -0.2054 0.2241 0.2412 0.070 Uiso 1 1 calc R . .
H144B H -0.2099 0.2633 0.2307 0.070 Uiso 1 1 calc R . .
C145 C -0.1510(5) 0.2146(3) 0.1857(3) 0.065(2) Uiso 1 1 d . . .
H145A H -0.2062 0.1961 0.1660 0.098 Uiso 1 1 calc R . .
H145B H -0.1140 0.1949 0.1862 0.098 Uiso 1 1 calc R . .
H145C H -0.1193 0.2339 0.1755 0.098 Uiso 1 1 calc R . .
C146 C 0.1319(3) 0.21592(17) 0.28190(17) 0.0286(10) Uiso 1 1 d . . .
H146A H 0.1637 0.2017 0.2944 0.034 Uiso 1 1 calc R . .
H146B H 0.0744 0.1949 0.2659 0.034 Uiso 1 1 calc R . .
C147 C 0.1857(4) 0.22305(18) 0.24990(18) 0.0326(11) Uiso 1 1 d . . .
H147A H 0.1591 0.2412 0.2405 0.039 Uiso 1 1 calc R . .
H147B H 0.2468 0.2399 0.2644 0.039 Uiso 1 1 calc R . .
C148 C 0.1878(4) 0.17802(19) 0.21036(19) 0.0379(12) Uiso 1 1 d . . .
H148A H 0.2373 0.1826 0.1951 0.045 Uiso 1 1 calc R . .
H148B H 0.1997 0.1573 0.2203 0.045 Uiso 1 1 calc R . .
C149 C 0.1042(4) 0.1563(2) 0.1790(2) 0.0498(16) Uiso 1 1 d . . .
H149A H 0.0541 0.1539 0.1948 0.060 Uiso 1 1 calc R . .
H149B H 0.1070 0.1253 0.1568 0.060 Uiso 1 1 calc R . .
C150 C 0.0854(6) 0.1820(3) 0.1554(3) 0.077(2) Uiso 1 1 d . . .
H150A H 0.0296 0.1660 0.1355 0.115 Uiso 1 1 calc R . .
H150B H 0.1336 0.1837 0.1389 0.115 Uiso 1 1 calc R . .
H150C H 0.0812 0.2125 0.1770 0.115 Uiso 1 1 calc R . .
C151 C 0.2025(4) 0.29426(19) 0.34151(19) 0.0357(12) Uiso 1 1 d . . .
H151A H 0.2273 0.3027 0.3206 0.043 Uiso 1 1 calc R . .
H151B H 0.1902 0.3217 0.3662 0.043 Uiso 1 1 calc R . .
C152 C 0.2722(4) 0.2792(2) 0.3586(2) 0.0436(14) Uiso 1 1 d . . .
H152A H 0.2799 0.2497 0.3353 0.052 Uiso 1 1 calc R . .
H152B H 0.2525 0.2755 0.3831 0.052 Uiso 1 1 calc R . .
C153 C 0.3597(4) 0.3138(2) 0.3742(2) 0.0489(15) Uiso 1 1 d . . .
H153A H 0.3526 0.3424 0.3992 0.059 Uiso 1 1 calc R . .
H153B H 0.3756 0.3198 0.3505 0.059 Uiso 1 1 calc R . .
C154 C 0.4355(5) 0.2984(3) 0.3879(3) 0.0584(18) Uiso 1 1 d . . .
H154A H 0.4190 0.2918 0.4111 0.070 Uiso 1 1 calc R . .
H154B H 0.4435 0.2702 0.3627 0.070 Uiso 1 1 calc R . .
C155 C 0.5228(6) 0.3336(3) 0.4045(3) 0.074(2) Uiso 1 1 d . . .
H155A H 0.5685 0.3221 0.4129 0.111 Uiso 1 1 calc R . .
H155B H 0.5156 0.3614 0.4299 0.111 Uiso 1 1 calc R . .
H155C H 0.5403 0.3398 0.3815 0.111 Uiso 1 1 calc R . .
C156 C 0.0703(4) 0.24787(18) 0.35059(18) 0.0342(11) Uiso 1 1 d . . .
H156A H 0.1115 0.2370 0.3628 0.041 Uiso 1 1 calc R . .
H156B H 0.0177 0.2228 0.3342 0.041 Uiso 1 1 calc R . .
C157 C 0.0409(5) 0.2871(2) 0.3885(2) 0.0506(16) Uiso 1 1 d . . .
H157A H 0.0920 0.3133 0.4036 0.061 Uiso 1 1 calc R . .
H157B H -0.0053 0.2962 0.3768 0.061 Uiso 1 1 calc R . .
C158 C 0.0050(5) 0.2742(2) 0.4206(2) 0.0560(18) Uiso 1 1 d . I .
H158A H 0.0521 0.2658 0.4324 0.067 Uiso 1 1 calc R . .
H158B H -0.0443 0.2471 0.4048 0.067 Uiso 1 1 calc R . .
C159 C -0.0287(6) 0.3112(3) 0.4590(3) 0.067(2) Uiso 1 1 d . . .
H159A H -0.0659 0.2987 0.4742 0.081 Uiso 0.66(3) 1 calc PR I 1
H159B H -0.0628 0.3267 0.4491 0.081 Uiso 0.66(3) 1 calc PR I 1
H159C H -0.0866 0.3123 0.4475 0.081 Uiso 0.34(3) 1 calc PR I 2
H159D H -0.0404 0.3008 0.4800 0.081 Uiso 0.34(3) 1 calc PR I 2
C160A C 0.0593(16) 0.3431(7) 0.4883(7) 0.115(7) Uiso 0.66(3) 1 d P I 1
H160A H 0.0463 0.3685 0.5143 0.172 Uiso 0.66(3) 1 calc PR I 1
H160B H 0.0950 0.3545 0.4721 0.172 Uiso 0.66(3) 1 calc PR I 1
H160C H 0.0920 0.3266 0.4969 0.172 Uiso 0.66(3) 1 calc PR I 1
C160B C 0.0185(17) 0.3528(7) 0.4811(8) 0.055(8) Uiso 0.34(3) 1 d P I 2
H160D H -0.0147 0.3716 0.5031 0.082 Uiso 0.34(3) 1 calc PR I 2
H160E H 0.0314 0.3643 0.4613 0.082 Uiso 0.34(3) 1 calc PR I 2
H160F H 0.0741 0.3535 0.4955 0.082 Uiso 0.34(3) 1 calc PR I 2
N9 N 0.7149(2) 0.07366(13) 0.37011(13) 0.0269(9) Uani 1 1 d . . .
C161 C 0.6740(3) 0.02517(15) 0.33403(15) 0.0233(9) Uiso 1 1 d . . .
H161A H 0.6443 0.0084 0.3476 0.028 Uiso 1 1 calc R . .
H161B H 0.6279 0.0259 0.3147 0.028 Uiso 1 1 calc R . .
C162 C 0.7380(3) -0.00097(15) 0.30615(15) 0.0222(9) Uiso 1 1 d . . .
H162A H 0.7881 0.0008 0.3252 0.027 Uiso 1 1 calc R . .
H162B H 0.7620 0.0129 0.2891 0.027 Uiso 1 1 calc R . .
C163 C 0.6920(3) -0.05057(15) 0.27498(15) 0.0216(9) Uiso 1 1 d . . .
H163A H 0.6462 -0.0521 0.2540 0.026 Uiso 1 1 calc R . .
H163B H 0.7360 -0.0667 0.2583 0.026 Uiso 1 1 calc R . .
C164 C 0.6484(3) -0.07476(15) 0.29803(16) 0.0246(9) Uiso 1 1 d . . .
H164A H 0.6867 -0.0641 0.3256 0.030 Uiso 1 1 calc R . .
H164B H 0.5912 -0.0665 0.3054 0.030 Uiso 1 1 calc R . .
C165 C 0.6324(3) -0.12580(17) 0.27092(17) 0.0310(11) Uiso 1 1 d . . .
H165A H 0.6046 -0.1392 0.2874 0.047 Uiso 1 1 calc R . .
H165B H 0.6889 -0.1344 0.2641 0.047 Uiso 1 1 calc R . .
H165C H 0.5933 -0.1367 0.2438 0.047 Uiso 1 1 calc R . .
C166 C 0.7426(3) 0.10388(17) 0.35125(17) 0.0288(10) Uiso 1 1 d . . .
H166A H 0.7760 0.1336 0.3752 0.035 Uiso 1 1 calc R . .
H166B H 0.7837 0.0908 0.3303 0.035 Uiso 1 1 calc R . .
C167 C 0.6690(4) 0.11143(19) 0.32844(19) 0.0358(12) Uiso 1 1 d . . .
H167A H 0.6441 0.0836 0.3003 0.043 Uiso 1 1 calc R . .
H167B H 0.6210 0.1187 0.3466 0.043 Uiso 1 1 calc R . .
C168 C 0.7048(4) 0.1498(2) 0.3206(2) 0.0445(14) Uiso 1 1 d . . .
H168A H 0.7391 0.1756 0.3480 0.053 Uiso 1 1 calc R . .
H168B H 0.7461 0.1401 0.2988 0.053 Uiso 1 1 calc R . .
C169 C 0.6367(6) 0.1649(3) 0.3051(3) 0.080(3) Uiso 1 1 d . . .
H169A H 0.5924 0.1723 0.3255 0.096 Uiso 1 1 calc R . .
H169B H 0.6059 0.1401 0.2763 0.096 Uiso 1 1 calc R . .
C170 C 0.6762(9) 0.2066(5) 0.3016(5) 0.136(5) Uiso 1 1 d . . .
H170A H 0.6289 0.2154 0.2908 0.205 Uiso 1 1 calc R . .
H170B H 0.7198 0.1994 0.2813 0.205 Uiso 1 1 calc R . .
H170C H 0.7050 0.2316 0.3303 0.205 Uiso 1 1 calc R . .
C171 C 0.6436(3) 0.08854(17) 0.39962(17) 0.0286(10) Uiso 1 1 d . . .
H171A H 0.5899 0.0854 0.3817 0.034 Uiso 1 1 calc R . .
H171B H 0.6282 0.0677 0.4109 0.034 Uiso 1 1 calc R . .
C172 C 0.6684(4) 0.13618(18) 0.43792(18) 0.0328(11) Uiso 1 1 d . . .
H172A H 0.6909 0.1573 0.4277 0.039 Uiso 1 1 calc R . .
H172B H 0.7160 0.1387 0.4587 0.039 Uiso 1 1 calc R . .
C173 C 0.5868(4) 0.14884(18) 0.46102(18) 0.0325(11) Uiso 1 1 d . . .
H173A H 0.6040 0.1808 0.4846 0.039 Uiso 1 1 calc R . .
H173B H 0.5405 0.1466 0.4398 0.039 Uiso 1 1 calc R . .
C174 C 0.5462(4) 0.1206(2) 0.48053(19) 0.0380(12) Uiso 1 1 d . . .
H174A H 0.4941 0.1314 0.4937 0.046 Uiso 1 1 calc R . .
H174B H 0.5252 0.0889 0.4569 0.046 Uiso 1 1 calc R . .
C175 C 0.6094(4) 0.1223(2) 0.5148(2) 0.0480(15) Uiso 1 1 d . . .
H175A H 0.5794 0.1034 0.5258 0.072 Uiso 1 1 calc R . .
H175B H 0.6291 0.1535 0.5389 0.072 Uiso 1 1 calc R . .
H175C H 0.6607 0.1112 0.5020 0.072 Uiso 1 1 calc R . .
C176 C 0.7975(3) 0.07647(17) 0.39588(17) 0.0295(10) Uiso 1 1 d . J .
H176A H 0.8417 0.0664 0.3759 0.035 Uiso 1 1 calc R . .
H176B H 0.8221 0.1085 0.4180 0.035 Uiso 1 1 calc R . .
C177 C 0.7864(4) 0.0497(2) 0.4184(2) 0.0399(13) Uiso 1 1 d . . .
H177A H 0.7616 0.0175 0.3971 0.048 Uiso 0.729(13) 1 calc PR J 1
H177B H 0.7454 0.0605 0.4402 0.048 Uiso 0.729(13) 1 calc PR J 1
H177C H 0.7432 0.0213 0.3982 0.048 Uiso 0.271(13) 1 calc PR J 2
H177D H 0.7561 0.0663 0.4436 0.048 Uiso 0.271(13) 1 calc PR J 2
C178A C 0.8765(4) 0.0559(3) 0.4407(2) 0.0260(16) Uiso 0.729(13) 1 d P J 1
H178A H 0.9042 0.0884 0.4589 0.031 Uiso 0.729(13) 1 calc PR J 1
H178B H 0.9149 0.0419 0.4184 0.031 Uiso 0.729(13) 1 calc PR J 1
C179A C 0.8693(5) 0.0342(3) 0.4693(3) 0.0347(19) Uiso 0.729(13) 1 d P J 1
H179A H 0.8352 0.0502 0.4930 0.042 Uiso 0.729(13) 1 calc PR J 1
H179B H 0.8356 0.0026 0.4515 0.042 Uiso 0.729(13) 1 calc PR J 1
C180A C 0.9538(8) 0.0348(5) 0.4887(4) 0.078(4) Uiso 0.729(13) 1 d P J 1
H180A H 0.9986 0.0348 0.4699 0.116 Uiso 0.729(13) 1 calc PR J 1
H180B H 0.9481 0.0081 0.4916 0.116 Uiso 0.729(13) 1 calc PR J 1
H180C H 0.9715 0.0620 0.5174 0.116 Uiso 0.729(13) 1 calc PR J 1
C178B C 0.8657(14) 0.0347(8) 0.4374(7) 0.037(5) Uiso 0.271(13) 1 d P J 2
H178C H 0.8436 0.0048 0.4345 0.044 Uiso 0.271(13) 1 calc PR J 2
H178D H 0.9173 0.0336 0.4217 0.044 Uiso 0.271(13) 1 calc PR J 2
C179B C 0.889(2) 0.0700(11) 0.4833(10) 0.069(9) Uiso 0.271(13) 1 d P J 2
H179C H 0.8379 0.0696 0.4990 0.082 Uiso 0.271(13) 1 calc PR J 2
H179D H 0.9062 0.0999 0.4858 0.082 Uiso 0.271(13) 1 calc PR J 2
C180B C 0.9695(11) 0.0611(6) 0.5042(6) 0.021(4) Uiso 0.271(13) 1 d P J 2
H180D H 1.0235 0.0834 0.5090 0.031 Uiso 0.271(13) 1 calc PR J 2
H180E H 0.9776 0.0308 0.4844 0.031 Uiso 0.271(13) 1 calc PR J 2
H180F H 0.9571 0.0636 0.5320 0.031 Uiso 0.271(13) 1 calc PR J 2
N10 N 0.6447(3) 0.39190(16) 0.27496(15) 0.0357(10) Uani 1 1 d . . .
C181 C 0.5728(4) 0.36166(19) 0.28199(19) 0.0368(12) Uiso 1 1 d . . .
H181A H 0.5155 0.3685 0.2775 0.044 Uiso 1 1 calc R . .
H181B H 0.5833 0.3692 0.3127 0.044 Uiso 1 1 calc R . .
C182 C 0.5649(4) 0.3114(2) 0.2529(2) 0.0467(15) Uiso 1 1 d . . .
H182A H 0.5383 0.3018 0.2231 0.056 Uiso 1 1 calc R . .
H182B H 0.6246 0.3051 0.2514 0.056 Uiso 1 1 calc R . .
C183 C 0.5086(4) 0.2849(2) 0.2698(2) 0.0478(15) Uiso 1 1 d . . .
H183A H 0.4496 0.2920 0.2721 0.057 Uiso 1 1 calc R . .
H183B H 0.5361 0.2941 0.2993 0.057 Uiso 1 1 calc R . .
C184 C 0.4975(5) 0.2340(3) 0.2403(3) 0.0620(19) Uiso 1 1 d . . .
H184A H 0.4689 0.2246 0.2109 0.074 Uiso 1 1 calc R . .
H184B H 0.5565 0.2268 0.2376 0.074 Uiso 1 1 calc R . .
C185 C 0.4433(6) 0.2083(3) 0.2576(3) 0.083(3) Uiso 1 1 d . . .
H185A H 0.4380 0.1759 0.2380 0.125 Uiso 1 1 calc R . .
H185B H 0.3843 0.2147 0.2597 0.125 Uiso 1 1 calc R . .
H185C H 0.4718 0.2171 0.2865 0.125 Uiso 1 1 calc R . .
C186 C 0.7372(4) 0.3886(2) 0.28789(19) 0.0380(12) Uiso 1 1 d . K .
H186A H 0.7430 0.3573 0.2692 0.046 Uiso 1 1 calc R . .
H186B H 0.7817 0.4082 0.2817 0.046 Uiso 1 1 calc R . .
C187 C 0.7589(5) 0.4018(3) 0.3356(3) 0.063(2) Uiso 1 1 d D . .
H187A H 0.8123 0.4268 0.3478 0.076 Uiso 0.631(18) 1 calc PR K 1
H187B H 0.7100 0.4149 0.3504 0.076 Uiso 0.631(18) 1 calc PR K 1
H187C H 0.7160 0.4183 0.3530 0.076 Uiso 0.369(18) 1 calc PR K 2
H187D H 0.8190 0.4215 0.3479 0.076 Uiso 0.369(18) 1 calc PR K 2
C188A C 0.7737(9) 0.3720(5) 0.3494(5) 0.053(3) Uiso 0.631(18) 1 d P K 1
H188A H 0.8195 0.3568 0.3335 0.063 Uiso 0.631(18) 1 calc PR K 1
H188B H 0.7185 0.3485 0.3405 0.063 Uiso 0.631(18) 1 calc PR K 1
C189A C 0.8017(8) 0.3911(4) 0.3963(4) 0.055(3) Uiso 0.631(18) 1 d P K 1
H189A H 0.7547 0.4046 0.4126 0.066 Uiso 0.631(18) 1 calc PR K 1
H189B H 0.8557 0.4155 0.4060 0.066 Uiso 0.631(18) 1 calc PR K 1
C190A C 0.8203(12) 0.3563(6) 0.4072(6) 0.096(6) Uiso 0.631(18) 1 d P K 1
H190A H 0.8509 0.3360 0.3848 0.144 Uiso 0.631(18) 1 calc PR K 1
H190B H 0.7644 0.3388 0.4083 0.144 Uiso 0.631(18) 1 calc PR K 1
H190C H 0.8576 0.3715 0.4356 0.144 Uiso 0.631(18) 1 calc PR K 1
C188B C 0.7535(15) 0.3573(6) 0.3366(8) 0.050(5) Uiso 0.369(18) 1 d PD K 2
H188C H 0.7743 0.3360 0.3099 0.060 Uiso 0.369(18) 1 calc PR K 2
H188D H 0.6902 0.3441 0.3346 0.060 Uiso 0.369(18) 1 calc PR K 2
C189B C 0.8046(13) 0.3581(7) 0.3762(7) 0.053(6) Uiso 0.369(18) 1 d P K 2
H189C H 0.7885 0.3277 0.3727 0.064 Uiso 0.369(18) 1 calc PR K 2
H189D H 0.8690 0.3651 0.3753 0.064 Uiso 0.369(18) 1 calc PR K 2
C190B C 0.7863(16) 0.3905(8) 0.4182(9) 0.070(7) Uiso 0.369(18) 1 d P K 2
H190D H 0.7838 0.4184 0.4185 0.104 Uiso 0.369(18) 1 calc PR K 2
H190E H 0.8332 0.3968 0.4409 0.104 Uiso 0.369(18) 1 calc PR K 2
H190F H 0.7294 0.3781 0.4237 0.104 Uiso 0.369(18) 1 calc PR K 2
C191 C 0.6398(4) 0.3778(2) 0.22654(19) 0.0366(12) Uiso 1 1 d . . .
H191A H 0.6881 0.3984 0.2234 0.044 Uiso 1 1 calc R . .
H191B H 0.6504 0.3471 0.2101 0.044 Uiso 1 1 calc R . .
C192 C 0.5528(4) 0.3781(2) 0.2060(2) 0.0404(13) Uiso 1 1 d . . .
H192A H 0.5489 0.4096 0.2162 0.048 Uiso 1 1 calc R . .
H192B H 0.5027 0.3639 0.2149 0.048 Uiso 1 1 calc R . .
C193 C 0.5470(4) 0.3517(2) 0.1554(2) 0.0478(15) Uiso 1 1 d . . .
H193A H 0.5986 0.3655 0.1470 0.057 Uiso 1 1 calc R . .
H193B H 0.5500 0.3202 0.1456 0.057 Uiso 1 1 calc R . .
C194 C 0.4648(4) 0.3516(2) 0.1331(2) 0.0480(15) Uiso 1 1 d . . .
H194A H 0.4624 0.3830 0.1423 0.058 Uiso 1 1 calc R . .
H194B H 0.4130 0.3384 0.1419 0.058 Uiso 1 1 calc R . .
C195 C 0.4594(5) 0.3250(3) 0.0840(3) 0.066(2) Uiso 1 1 d . . .
H195A H 0.4045 0.3260 0.0705 0.100 Uiso 1 1 calc R . .
H195B H 0.4599 0.2936 0.0747 0.100 Uiso 1 1 calc R . .
H195C H 0.5102 0.3381 0.0751 0.100 Uiso 1 1 calc R . .
C196 C 0.6318(4) 0.43947(19) 0.3016(2) 0.0390(12) Uiso 1 1 d . . .
H196A H 0.6314 0.4467 0.3322 0.047 Uiso 1 1 calc R . .
H196B H 0.5727 0.4401 0.2909 0.047 Uiso 1 1 calc R . .
C197 C 0.7002(4) 0.47644(19) 0.3011(2) 0.0387(12) Uiso 1 1 d . . .
H197A H 0.6904 0.4750 0.2728 0.046 Uiso 1 1 calc R . .
H197B H 0.7604 0.4721 0.3049 0.046 Uiso 1 1 calc R . .
C198 C 0.6921(4) 0.52221(19) 0.3378(2) 0.0401(13) Uiso 1 1 d . . .
H198A H 0.6296 0.5243 0.3359 0.048 Uiso 1 1 calc R . .
H198B H 0.7082 0.5243 0.3660 0.048 Uiso 1 1 calc R . .
C199 C 0.7497(4) 0.5619(2) 0.3373(2) 0.0433(14) Uiso 1 1 d . . .
H199A H 0.7323 0.5609 0.3098 0.052 Uiso 1 1 calc R . .
H199B H 0.8122 0.5598 0.3385 0.052 Uiso 1 1 calc R . .
C200 C 0.7404(5) 0.6065(2) 0.3758(2) 0.0556(17) Uiso 1 1 d . . .
H200A H 0.7781 0.6316 0.3747 0.083 Uiso 1 1 calc R . .
H200B H 0.7586 0.6077 0.4031 0.083 Uiso 1 1 calc R . .
H200C H 0.6787 0.6088 0.3744 0.083 Uiso 1 1 calc R . .
N11 N 0.2276(6) 0.44334(16) 0.05947(17) 0.081(3) Uani 1 1 d D . .
C201A C 0.2385(7) 0.4699(3) 0.0354(3) 0.041(2) Uiso 0.591(10) 1 d PD L 1
H201A H 0.2816 0.4592 0.0148 0.049 Uiso 0.591(10) 1 calc PR L 1
H201B H 0.1811 0.4635 0.0181 0.049 Uiso 0.591(10) 1 calc PR L 1
C202A C 0.2699(7) 0.5207(3) 0.0656(3) 0.041(3) Uiso 0.591(10) 1 d P L 1
H202A H 0.3267 0.5273 0.0835 0.049 Uiso 0.591(10) 1 calc PR L 1
H202B H 0.2260 0.5318 0.0856 0.049 Uiso 0.591(10) 1 calc PR L 1
C203A C 0.2821(8) 0.5450(4) 0.0396(4) 0.054(3) Uiso 0.591(10) 1 d P L 1
H203A H 0.2915 0.5778 0.0598 0.064 Uiso 0.591(10) 1 calc PR L 1
H203B H 0.2273 0.5352 0.0192 0.064 Uiso 0.591(10) 1 calc PR L 1
C201B C 0.2967(8) 0.4655(4) 0.0412(4) 0.031(3) Uiso 0.409(10) 1 d PD L 2
H201C H 0.3452 0.4494 0.0342 0.038 Uiso 0.409(10) 1 calc PR L 2
H201D H 0.2680 0.4606 0.0134 0.038 Uiso 0.409(10) 1 calc PR L 2
C202B C 0.3382(10) 0.5164(5) 0.0705(5) 0.039(3) Uiso 0.409(10) 1 d P L 2
H202C H 0.2897 0.5325 0.0775 0.047 Uiso 0.409(10) 1 calc PR L 2
H202D H 0.3672 0.5213 0.0981 0.047 Uiso 0.409(10) 1 calc PR L 2
C203B C 0.4063(14) 0.5383(7) 0.0521(7) 0.067(5) Uiso 0.409(10) 1 d P L 2
H203C H 0.4313 0.5702 0.0744 0.080 Uiso 0.409(10) 1 calc PR L 2
H203D H 0.4554 0.5225 0.0445 0.080 Uiso 0.409(10) 1 calc PR L 2
C204 C 0.3633(6) 0.5356(3) 0.0127(3) 0.081(3) Uiso 1 1 d . . .
H204A H 0.3540 0.5026 -0.0069 0.097 Uiso 0.591(10) 1 calc PR L 1
H204B H 0.3625 0.5492 -0.0060 0.097 Uiso 0.591(10) 1 calc PR L 1
H204C H 0.4103 0.5462 -0.0004 0.097 Uiso 0.409(10) 1 calc PR L 2
H204D H 0.3376 0.5033 -0.0086 0.097 Uiso 0.409(10) 1 calc PR L 2
C205A C 0.4538(15) 0.5530(7) 0.0393(7) 0.120(7) Uiso 0.591(10) 1 d P L 1
H205A H 0.4986 0.5450 0.0197 0.180 Uiso 0.591(10) 1 calc PR L 1
H205B H 0.4561 0.5394 0.0576 0.180 Uiso 0.591(10) 1 calc PR L 1
H205C H 0.4654 0.5858 0.0577 0.180 Uiso 0.591(10) 1 calc PR L 1
C205B C 0.3011(18) 0.5576(9) 0.0166(9) 0.103(9) Uiso 0.409(10) 1 d P L 2
H205D H 0.2905 0.5727 0.0470 0.154 Uiso 0.409(10) 1 calc PR L 2
H205E H 0.2465 0.5364 -0.0021 0.154 Uiso 0.409(10) 1 calc PR L 2
H205F H 0.3199 0.5800 0.0079 0.154 Uiso 0.409(10) 1 calc PR L 2
C206 C 0.1954(5) 0.3943(2) 0.0224(3) 0.0584(18) Uiso 1 1 d . L .
H206A H 0.1464 0.3930 0.0030 0.070 Uiso 1 1 calc R . .
H206B H 0.2443 0.3857 0.0051 0.070 Uiso 1 1 calc R . .
C207 C 0.1638(4) 0.35950(19) 0.03539(19) 0.0382(12) Uiso 1 1 d . . .
H207A H 0.1151 0.3674 0.0529 0.046 Uiso 1 1 calc R L .
H207B H 0.2128 0.3587 0.0533 0.046 Uiso 1 1 calc R . .
C208 C 0.1315(4) 0.3133(2) -0.0058(2) 0.0407(13) Uiso 1 1 d D L .
H208A H 0.1138 0.2913 0.0040 0.049 Uiso 0.676(15) 1 calc PR M 1
H208B H 0.0767 0.3145 -0.0198 0.049 Uiso 0.676(15) 1 calc PR M 1
H208C H 0.0954 0.3155 -0.0278 0.049 Uiso 0.324(15) 1 calc PR M 2
H208D H 0.0959 0.2915 0.0009 0.049 Uiso 0.324(15) 1 calc PR M 2
C209A C 0.1870(6) 0.2934(3) -0.0408(3) 0.037(2) Uiso 0.676(15) 1 d P L 1
H209C H 0.2125 0.3156 -0.0494 0.045 Uiso 0.676(15) 1 calc PR M 1
H209D H 0.1504 0.2664 -0.0668 0.045 Uiso 0.676(15) 1 calc PR M 1
C210A C 0.2616(7) 0.2802(4) -0.0233(4) 0.053(3) Uiso 0.676(15) 1 d P L 1
H210D H 0.3073 0.3074 -0.0038 0.080 Uiso 0.676(15) 1 calc PR M 1
H210E H 0.2876 0.2594 -0.0477 0.080 Uiso 0.676(15) 1 calc PR M 1
H210F H 0.2374 0.2656 -0.0073 0.080 Uiso 0.676(15) 1 calc PR M 1
C209B C 0.2180(12) 0.2993(9) -0.0221(9) 0.063(7) Uiso 0.324(15) 1 d PD L 2
H209A H 0.2467 0.3197 -0.0322 0.076 Uiso 0.324(15) 1 calc PR M 2
H209B H 0.2580 0.3051 0.0033 0.076 Uiso 0.324(15) 1 calc PR M 2
C210B C 0.2131(18) 0.2521(9) -0.0575(9) 0.071(8) Uiso 0.324(15) 1 d P L 2
H210A H 0.2025 0.2499 -0.0859 0.106 Uiso 0.324(15) 1 calc PR M 2
H210B H 0.1646 0.2316 -0.0550 0.106 Uiso 0.324(15) 1 calc PR M 2
H210C H 0.2690 0.2438 -0.0549 0.106 Uiso 0.324(15) 1 calc PR M 2
C211 C 0.2955(5) 0.4476(3) 0.0938(3) 0.070(2) Uiso 1 1 d D L .
H211A H 0.3091 0.4783 0.1196 0.084 Uiso 0.481(13) 1 calc PR N 1
H211B H 0.2742 0.4255 0.1031 0.084 Uiso 0.481(13) 1 calc PR N 1
H211C H 0.2613 0.4358 0.1104 0.084 Uiso 0.519(13) 1 calc PR N 2
H211D H 0.3174 0.4804 0.1140 0.084 Uiso 0.519(13) 1 calc PR N 2
C212A C 0.3670(8) 0.4388(4) 0.0732(4) 0.038(3) Uiso 0.481(13) 1 d P L 1
H212A H 0.3862 0.4594 0.0620 0.046 Uiso 0.481(13) 1 calc PR N 1
H212B H 0.3556 0.4072 0.0489 0.046 Uiso 0.481(13) 1 calc PR N 1
C213A C 0.4407(8) 0.4482(5) 0.1136(5) 0.048(4) Uiso 0.481(13) 1 d PD L 1
H213A H 0.4446 0.4788 0.1385 0.058 Uiso 0.481(13) 1 calc PR N 1
H213B H 0.4196 0.4264 0.1233 0.058 Uiso 0.481(13) 1 calc PR N 1
C212B C 0.3806(8) 0.4273(5) 0.0862(6) 0.063(4) Uiso 0.519(13) 1 d PD L 2
H212C H 0.3845 0.4149 0.1058 0.076 Uiso 0.519(13) 1 calc PR N 2
H212D H 0.3703 0.4015 0.0561 0.076 Uiso 0.519(13) 1 calc PR N 2
C213B C 0.4695(10) 0.4570(5) 0.0927(5) 0.059(4) Uiso 0.519(13) 1 d P L 2
H213C H 0.4755 0.4592 0.0662 0.070 Uiso 0.519(13) 1 calc PR N 2
H213D H 0.4713 0.4876 0.1172 0.070 Uiso 0.519(13) 1 calc PR N 2
C214 C 0.5359(7) 0.4439(4) 0.1004(5) 0.125(4) Uiso 1 1 d D . .
H214A H 0.5767 0.4496 0.1255 0.149 Uiso 0.481(13) 1 calc PR N 1
H214B H 0.5334 0.4131 0.0762 0.149 Uiso 0.481(13) 1 calc PR N 1
H214C H 0.5314 0.4122 0.0777 0.149 Uiso 0.519(13) 1 calc PR N 2
H214D H 0.5345 0.4452 0.1288 0.149 Uiso 0.519(13) 1 calc PR N 2
C215A C 0.5647(12) 0.4735(6) 0.0885(6) 0.063(5) Uiso 0.481(13) 1 d P N 1
H215A H 0.5159 0.4862 0.0851 0.095 Uiso 0.481(13) 1 calc PR N 1
H215B H 0.5875 0.4586 0.0607 0.095 Uiso 0.481(13) 1 calc PR N 1
H215C H 0.6120 0.4976 0.1107 0.095 Uiso 0.481(13) 1 calc PR N 1
C215B C 0.6261(10) 0.4735(6) 0.1016(6) 0.079(5) Uiso 0.519(13) 1 d PD N 2
H215D H 0.6149 0.4976 0.0968 0.118 Uiso 0.519(13) 1 calc PR N 2
H215E H 0.6577 0.4547 0.0787 0.118 Uiso 0.519(13) 1 calc PR N 2
H215F H 0.6622 0.4869 0.1300 0.118 Uiso 0.519(13) 1 calc PR N 2
C216A C 0.1744(9) 0.4627(4) 0.0821(4) 0.033(3) Uiso 0.474(10) 1 d P L 1
H216A H 0.2059 0.4919 0.1074 0.040 Uiso 0.474(10) 1 calc PR L 1
H216B H 0.1413 0.4441 0.0930 0.040 Uiso 0.474(10) 1 calc PR L 1
C217A C 0.1110(10) 0.4704(5) 0.0543(5) 0.045(3) Uiso 0.474(10) 1 d P L 1
H217A H 0.1456 0.4867 0.0415 0.054 Uiso 0.474(10) 1 calc PR L 1
H217B H 0.0779 0.4408 0.0300 0.054 Uiso 0.474(10) 1 calc PR L 1
C218A C 0.0455(9) 0.4971(5) 0.0797(5) 0.047(3) Uiso 0.474(10) 1 d P L 1
H218A H 0.0035 0.4782 0.0877 0.056 Uiso 0.474(10) 1 calc PR L 1
H218B H 0.0780 0.5239 0.1070 0.056 Uiso 0.474(10) 1 calc PR L 1
C219A C -0.0061(12) 0.5123(6) 0.0549(6) 0.065(5) Uiso 0.474(10) 1 d P L 1
H219A H 0.0368 0.5265 0.0429 0.078 Uiso 0.474(10) 1 calc PR L 1
H219B H -0.0443 0.4851 0.0299 0.078 Uiso 0.474(10) 1 calc PR L 1
C216B C 0.1309(7) 0.4597(3) 0.0829(3) 0.026(2) Uiso 0.526(10) 1 d P L 2
H216C H 0.1032 0.4369 0.0904 0.032 Uiso 0.526(10) 1 calc PR L 2
H216D H 0.1515 0.4884 0.1107 0.032 Uiso 0.526(10) 1 calc PR L 2
C217B C 0.0580(8) 0.4660(4) 0.0585(4) 0.038(3) Uiso 0.526(10) 1 d P L 2
H217C H 0.0307 0.4369 0.0320 0.046 Uiso 0.526(10) 1 calc PR L 2
H217D H 0.0833 0.4878 0.0495 0.046 Uiso 0.526(10) 1 calc PR L 2
C218B C -0.0131(8) 0.4835(4) 0.0880(4) 0.045(3) Uiso 0.526(10) 1 d P L 2
H218C H -0.0453 0.4590 0.0922 0.054 Uiso 0.526(10) 1 calc PR L 2
H218D H 0.0170 0.5086 0.1169 0.054 Uiso 0.526(10) 1 calc PR L 2
C219B C -0.0797(9) 0.4997(5) 0.0706(5) 0.056(4) Uiso 0.526(10) 1 d P L 2
H219C H -0.0958 0.4781 0.0390 0.067 Uiso 0.526(10) 1 calc PR L 2
H219D H -0.1338 0.4976 0.0841 0.067 Uiso 0.526(10) 1 calc PR L 2
C220 C -0.0583(8) 0.5415(4) 0.0761(4) 0.110(4) Uiso 1 1 d . . .
H220A H -0.0232 0.5726 0.0896 0.164 Uiso 0.474(10) 1 calc PR L 1
H220B H -0.0818 0.5360 0.0987 0.164 Uiso 0.474(10) 1 calc PR L 1
H220C H -0.1074 0.5370 0.0553 0.164 Uiso 0.474(10) 1 calc PR L 1
H220D H -0.0078 0.5598 0.0992 0.164 Uiso 0.526(10) 1 calc PR L 2
H220E H -0.1090 0.5555 0.0842 0.164 Uiso 0.526(10) 1 calc PR L 2
H220F H -0.0427 0.5396 0.0489 0.164 Uiso 0.526(10) 1 calc PR L 2
N12 N -0.1171(4) 0.6195(2) 0.22967(16) 0.0590(18) Uani 1 1 d D . .
C221 C -0.1061(4) 0.5714(2) 0.2043(2) 0.0429(14) Uiso 1 1 d . O .
H221A H -0.1077 0.5626 0.1733 0.052 Uiso 1 1 calc R . .
H221B H -0.0468 0.5707 0.2146 0.052 Uiso 1 1 calc R . .
C222 C -0.1742(5) 0.5367(2) 0.2076(2) 0.0522(16) Uiso 1 1 d . . .
H222A H -0.2340 0.5416 0.2040 0.063 Uiso 1 1 calc R O .
H222B H -0.1631 0.5400 0.2367 0.063 Uiso 1 1 calc R . .
C223 C -0.1694(4) 0.4896(2) 0.1725(2) 0.0462(14) Uiso 1 1 d . O .
H223A H -0.1856 0.4862 0.1437 0.055 Uiso 1 1 calc R . .
H223B H -0.1074 0.4869 0.1743 0.055 Uiso 1 1 calc R . .
C224 C -0.2277(5) 0.4511(2) 0.1745(2) 0.0538(17) Uiso 1 1 d . . .
H224A H -0.2110 0.4538 0.2029 0.065 Uiso 1 1 calc R O .
H224B H -0.2900 0.4536 0.1728 0.065 Uiso 1 1 calc R . .
C225 C -0.2210(5) 0.4055(3) 0.1386(3) 0.0607(19) Uiso 1 1 d . O .
H225A H -0.2598 0.3820 0.1416 0.091 Uiso 1 1 calc R . .
H225B H -0.1597 0.4025 0.1403 0.091 Uiso 1 1 calc R . .
H225C H -0.2390 0.4023 0.1104 0.091 Uiso 1 1 calc R . .
C226A C -0.1079(7) 0.6404(4) 0.2790(3) 0.027(2) Uiso 0.62(3) 1 d P O 1
H226A H -0.1008 0.6734 0.2923 0.032 Uiso 0.62(3) 1 calc PR O 1
H226B H -0.1636 0.6287 0.2864 0.032 Uiso 0.62(3) 1 calc PR O 1
C226B C -0.1298(11) 0.6232(7) 0.2743(4) 0.026(4) Uiso 0.38(3) 1 d PD O 2
H226C H -0.1680 0.5950 0.2700 0.031 Uiso 0.38(3) 1 calc PR O 2
H226D H -0.1582 0.6484 0.2918 0.031 Uiso 0.38(3) 1 calc PR O 2
C227 C -0.0322(4) 0.6321(2) 0.2994(2) 0.0441(14) Uiso 1 1 d . . .
H227A H 0.0244 0.6445 0.2930 0.053 Uiso 0.62(3) 1 calc PR O 1
H227B H -0.0383 0.5993 0.2867 0.053 Uiso 0.62(3) 1 calc PR O 1
H227C H -0.0145 0.6031 0.2884 0.053 Uiso 0.38(3) 1 calc PR O 2
H227D H 0.0115 0.6518 0.2929 0.053 Uiso 0.38(3) 1 calc PR O 2
C228 C -0.0309(4) 0.6544(2) 0.34852(19) 0.0379(12) Uiso 1 1 d . O .
H228A H -0.0301 0.6867 0.3606 0.045 Uiso 1 1 calc R . .
H228B H -0.0858 0.6403 0.3546 0.045 Uiso 1 1 calc R . .
C229 C 0.0475(4) 0.6502(2) 0.37086(19) 0.0397(13) Uiso 1 1 d . . .
H229A H 0.1022 0.6627 0.3633 0.048 Uiso 1 1 calc R O .
H229B H 0.0447 0.6179 0.3599 0.048 Uiso 1 1 calc R . .
C230 C 0.0524(5) 0.6746(2) 0.4203(2) 0.0544(17) Uiso 1 1 d . O .
H230A H 0.1046 0.6707 0.4330 0.082 Uiso 1 1 calc R . .
H230B H -0.0010 0.6620 0.4281 0.082 Uiso 1 1 calc R . .
H230C H 0.0566 0.7067 0.4315 0.082 Uiso 1 1 calc R . .
C231A C -0.2171(6) 0.6133(5) 0.2151(4) 0.042(3) Uiso 0.480(15) 1 d PD O 1
H231A H -0.2339 0.6424 0.2329 0.051 Uiso 0.480(15) 1 calc PR O 1
H231B H -0.2525 0.5912 0.2216 0.051 Uiso 0.480(15) 1 calc PR O 1
C232A C -0.2428(12) 0.5971(6) 0.1658(5) 0.058(4) Uiso 0.480(15) 1 d P O 1
H232A H -0.1914 0.5870 0.1513 0.070 Uiso 0.480(15) 1 calc PR O 1
H232B H -0.2914 0.5698 0.1542 0.070 Uiso 0.480(15) 1 calc PR O 1
C233A C -0.2706(9) 0.6258(5) 0.1495(5) 0.041(3) Uiso 0.480(15) 1 d P O 1
H233A H -0.3205 0.6373 0.1646 0.049 Uiso 0.480(15) 1 calc PR O 1
H233B H -0.2209 0.6522 0.1590 0.049 Uiso 0.480(15) 1 calc PR O 1
C234A C -0.2980(12) 0.6059(7) 0.1020(7) 0.054(4) Uiso 0.480(15) 1 d P O 1
H234A H -0.3417 0.5770 0.0914 0.065 Uiso 0.480(15) 1 calc PR O 1
H234B H -0.2456 0.5988 0.0871 0.065 Uiso 0.480(15) 1 calc PR O 1
C235A C -0.3379(16) 0.6343(8) 0.0881(8) 0.099(8) Uiso 0.480(15) 1 d P O 1
H235A H -0.3495 0.6187 0.0563 0.148 Uiso 0.480(15) 1 calc PR O 1
H235B H -0.2964 0.6635 0.0991 0.148 Uiso 0.480(15) 1 calc PR O 1
H235C H -0.3934 0.6390 0.1000 0.148 Uiso 0.480(15) 1 calc PR O 1
C231B C -0.1942(6) 0.6304(3) 0.2140(3) 0.024(2) Uiso 0.520(15) 1 d P O 2
H231C H -0.1890 0.6633 0.2318 0.029 Uiso 0.520(15) 1 calc PR O 2
H231D H -0.2487 0.6155 0.2196 0.029 Uiso 0.520(15) 1 calc PR O 2
C232B C -0.2059(9) 0.6172(5) 0.1664(4) 0.047(3) Uiso 0.520(15) 1 d P O 2
H232C H -0.1486 0.6251 0.1576 0.056 Uiso 0.520(15) 1 calc PR O 2
H232D H -0.2308 0.5844 0.1477 0.056 Uiso 0.520(15) 1 calc PR O 2
C233B C -0.2674(10) 0.6427(6) 0.1626(6) 0.054(4) Uiso 0.520(15) 1 d P O 2
H233C H -0.2420 0.6752 0.1828 0.065 Uiso 0.520(15) 1 calc PR O 2
H233D H -0.3235 0.6345 0.1721 0.065 Uiso 0.520(15) 1 calc PR O 2
C234B C -0.2879(13) 0.6356(7) 0.1180(7) 0.083(6) Uiso 0.520(15) 1 d P O 2
H234C H -0.3403 0.6479 0.1177 0.099 Uiso 0.520(15) 1 calc PR O 2
H234D H -0.2377 0.6540 0.1133 0.099 Uiso 0.520(15) 1 calc PR O 2
C235B C -0.303(2) 0.5953(11) 0.0853(10) 0.138(14) Uiso 0.520(15) 1 d P O 2
H235D H -0.3150 0.5959 0.0584 0.207 Uiso 0.520(15) 1 calc PR O 2
H235E H -0.3546 0.5767 0.0884 0.207 Uiso 0.520(15) 1 calc PR O 2
H235F H -0.2514 0.5827 0.0842 0.207 Uiso 0.520(15) 1 calc PR O 2
C236 C -0.0382(5) 0.6486(2) 0.2220(3) 0.0566(18) Uiso 1 1 d . O .
H236A H -0.0412 0.6354 0.1901 0.068 Uiso 0.634(11) 1 calc PR P 1
H236B H 0.0167 0.6438 0.2322 0.068 Uiso 0.634(11) 1 calc PR P 1
H236C H 0.0201 0.6459 0.2312 0.068 Uiso 0.366(11) 1 calc PR P 2
H236D H -0.0425 0.6419 0.1915 0.068 Uiso 0.366(11) 1 calc PR P 2
C237A C -0.0254(6) 0.7018(3) 0.2425(3) 0.036(2) Uiso 0.634(11) 1 d P O 1
H237A H -0.0825 0.7083 0.2372 0.043 Uiso 0.634(11) 1 calc PR P 1
H237B H -0.0081 0.7169 0.2744 0.043 Uiso 0.634(11) 1 calc PR P 1
C238A C 0.0450(7) 0.7215(3) 0.2234(3) 0.040(2) Uiso 0.634(11) 1 d P O 1
H238A H 0.1033 0.7180 0.2316 0.048 Uiso 0.634(11) 1 calc PR P 1
H238B H 0.0313 0.7040 0.1913 0.048 Uiso 0.634(11) 1 calc PR P 1
C239A C 0.0513(8) 0.7705(4) 0.2385(4) 0.055(3) Uiso 0.634(11) 1 d P O 1
H239A H 0.1036 0.7814 0.2283 0.067 Uiso 0.634(11) 1 calc PR P 1
H239B H 0.0620 0.7876 0.2708 0.067 Uiso 0.634(11) 1 calc PR P 1
C240A C -0.0291(7) 0.7816(3) 0.2236(3) 0.046(3) Uiso 0.634(11) 1 d P O 1
H240A H -0.0184 0.8141 0.2353 0.069 Uiso 0.634(11) 1 calc PR P 1
H240B H -0.0813 0.7717 0.2341 0.069 Uiso 0.634(11) 1 calc PR P 1
H240C H -0.0392 0.7659 0.1917 0.069 Uiso 0.634(11) 1 calc PR P 1
C237B C -0.0569(11) 0.6899(5) 0.2502(5) 0.034(4) Uiso 0.366(11) 1 d P O 2
H237C H -0.0376 0.7002 0.2811 0.041 Uiso 0.366(11) 1 calc PR P 2
H237D H -0.1205 0.6895 0.2459 0.041 Uiso 0.366(11) 1 calc PR P 2
C238B C 0.0010(14) 0.7185(6) 0.2342(7) 0.048(5) Uiso 0.366(11) 1 d P O 2
H238C H 0.0620 0.7141 0.2350 0.057 Uiso 0.366(11) 1 calc PR P 2
H238D H -0.0221 0.7074 0.2035 0.057 Uiso 0.366(11) 1 calc PR P 2
C239B C 0.0041(15) 0.7686(7) 0.2610(8) 0.063(6) Uiso 0.366(11) 1 d P O 2
H239C H -0.0568 0.7731 0.2601 0.076 Uiso 0.366(11) 1 calc PR P 2
H239D H 0.0270 0.7797 0.2917 0.076 Uiso 0.366(11) 1 calc PR P 2
C240B C 0.0593(18) 0.7954(10) 0.2458(9) 0.080(8) Uiso 0.366(11) 1 d P O 2
H240D H 0.0595 0.8273 0.2647 0.119 Uiso 0.366(11) 1 calc PR P 2
H240E H 0.0355 0.7855 0.2159 0.119 Uiso 0.366(11) 1 calc PR P 2
H240F H 0.1198 0.7912 0.2468 0.119 Uiso 0.366(11) 1 calc PR P 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
OG2_A V2B_A OD1_A 105.07(15) . . ?
OG2_A V2B_A OC4'_A 102.71(16) . . ?
OD1_A V2B_A OC4'_A 90.97(13) . . ?
OG2_A V2B_A OC2_A 102.35(16) . . ?
OD1_A V2B_A OC2_A 91.07(13) . . ?
OC4'_A V2B_A OC2_A 153.38(13) . . ?
OG2_A V2B_A OE2_A 102.46(14) . . ?
OD1_A V2B_A OE2_A 152.47(13) . . ?
OC4'_A V2B_A OE2_A 83.57(13) . . ?
OC2_A V2B_A OE2_A 82.43(13) . . ?
OG2_A V2B_A OA1_A 175.88(14) . . ?
OD1_A V2B_A OA1_A 78.91(11) . . ?
OC4'_A V2B_A OA1_A 78.09(11) . . ?
OC2_A V2B_A OA1_A 76.28(11) . . ?
OE2_A V2B_A OA1_A 73.56(10) . . ?
OG2_A V2B_A V2A_A 137.42(12) . . ?
OD1_A V2B_A V2A_A 32.46(9) . . ?
OC4'_A V2B_A V2A_A 81.57(9) . . ?
OC2_A V2B_A V2A_A 86.04(9) . . ?
OE2_A V2B_A V2A_A 120.08(8) . . ?
OA1_A V2B_A V2A_A 46.62(7) . . ?
OG2_A V2B_A V1A'_A 132.63(12) . . ?
OD1_A V2B_A V1A'_A 122.30(10) . . ?
OC4'_A V2B_A V1A'_A 78.31(9) . . ?
OC2_A V2B_A V1A'_A 78.21(9) . . ?
OE2_A V2B_A V1A'_A 30.18(8) . . ?
OA1_A V2B_A V1A'_A 43.40(7) . . ?
V2A_A V2B_A V1A'_A 89.91(2) . . ?
OG2_A V2B_A V3A_A 132.34(13) . . ?
OD1_A V2B_A V3A_A 82.37(10) . . ?
OC4'_A V2B_A V3A_A 124.47(9) . . ?
OC2_A V2B_A V3A_A 30.00(9) . . ?
OE2_A V2B_A V3A_A 78.70(9) . . ?
OA1_A V2B_A V3A_A 46.46(7) . . ?
V2A_A V2B_A V3A_A 63.98(2) . . ?
V1A'_A V2B_A V3A_A 60.62(2) . . ?
OG2_A V2B_A V3B'_A 133.34(13) . . ?
OD1_A V2B_A V3B'_A 81.49(10) . . ?
OC4'_A V2B_A V3B'_A 30.68(9) . . ?
OC2_A V2B_A V3B'_A 123.94(9) . . ?
OE2_A V2B_A V3B'_A 80.16(9) . . ?
OA1_A V2B_A V3B'_A 47.70(7) . . ?
V2A_A V2B_A V3B'_A 59.24(2) . . ?
V1A'_A V2B_A V3B'_A 60.93(2) . . ?
V3A_A V2B_A V3B'_A 94.16(3) . . ?
OE2_A V1A'_A OE1'_A 107.46(14) . . ?
OE2_A V1A'_A OB1'_A 97.34(14) . . ?
OE1'_A V1A'_A OB1'_A 96.85(14) . . ?
OE2_A V1A'_A OB2_A 96.58(14) . . ?
OE1'_A V1A'_A OB2_A 97.03(13) . . ?
OB1'_A V1A'_A OB2_A 156.39(12) . . ?
OE2_A V1A'_A OA1'_A 164.58(13) . . ?
OE1'_A V1A'_A OA1'_A 87.93(12) . . ?
OB1'_A V1A'_A OA1'_A 81.34(11) . . ?
OB2_A V1A'_A OA1'_A 80.18(11) . . ?
OE2_A V1A'_A OA1_A 87.85(12) . . ?
OE1'_A V1A'_A OA1_A 164.68(13) . . ?
OB1'_A V1A'_A OA1_A 81.42(11) . . ?
OB2_A V1A'_A OA1_A 80.15(11) . . ?
OA1'_A V1A'_A OA1_A 76.76(10) . . ?
OE2_A V1A'_A V2A'_A 145.26(10) . . ?
OE1'_A V1A'_A V2A'_A 37.81(10) . . ?
OB1'_A V1A'_A V2A'_A 88.64(9) . . ?
OB2_A V1A'_A V2A'_A 90.70(9) . . ?
OA1'_A V1A'_A V2A'_A 50.15(7) . . ?
OA1_A V1A'_A V2A'_A 126.89(8) . . ?
OE2_A V1A'_A V2B_A 37.24(10) . . ?
OE1'_A V1A'_A V2B_A 144.68(10) . . ?
OB1'_A V1A'_A V2B_A 89.41(9) . . ?
OB2_A V1A'_A V2B_A 90.22(9) . . ?
OA1'_A V1A'_A V2B_A 127.39(8) . . ?
OA1_A V1A'_A V2B_A 50.63(7) . . ?
V2A'_A V1A'_A V2B_A 177.11(3) . . ?
OG1'_A V2A'_A OD1'_A 104.47(14) . . ?
OG1'_A V2A'_A OC1'_A 103.02(15) . . ?
OD1'_A V2A'_A OC1'_A 92.15(13) . . ?
OG1'_A V2A'_A OC3_A 101.13(15) . . ?
OD1'_A V2A'_A OC3_A 91.06(13) . . ?
OC1'_A V2A'_A OC3_A 153.99(12) . . ?
OG1'_A V2A'_A OE1'_A 101.06(14) . . ?
OD1'_A V2A'_A OE1'_A 154.36(12) . . ?
OC1'_A V2A'_A OE1'_A 84.38(12) . . ?
OC3_A V2A'_A OE1'_A 81.65(12) . . ?
OG1'_A V2A'_A OA1'_A 174.00(14) . . ?
OD1'_A V2A'_A OA1'_A 81.04(11) . . ?
OC1'_A V2A'_A OA1'_A 78.88(11) . . ?
OC3_A V2A'_A OA1'_A 76.14(11) . . ?
OE1'_A V2A'_A OA1'_A 73.36(10) . . ?
OG1'_A V2A'_A V2B'_A 137.42(12) . . ?
OD1'_A V2A'_A V2B'_A 33.03(9) . . ?
OC1'_A V2A'_A V2B'_A 82.42(9) . . ?
OC3_A V2A'_A V2B'_A 86.34(9) . . ?
OE1'_A V2A'_A V2B'_A 121.52(8) . . ?
OA1'_A V2A'_A V2B'_A 48.23(7) . . ?
OG1'_A V2A'_A V1A'_A 131.50(12) . . ?
OD1'_A V2A'_A V1A'_A 123.98(9) . . ?
OC1'_A V2A'_A V1A'_A 79.10(9) . . ?
OC3_A V2A'_A V1A'_A 77.73(9) . . ?
OE1'_A V2A'_A V1A'_A 30.44(8) . . ?
OA1'_A V2A'_A V1A'_A 42.94(7) . . ?
V2B'_A V2A'_A V1A'_A 91.08(2) . . ?
OG1'_A V2A'_A V3A'_A 134.23(13) . . ?
OD1'_A V2A'_A V3A'_A 82.88(10) . . ?
OC1'_A V2A'_A V3A'_A 31.23(8) . . ?
OC3_A V2A'_A V3A'_A 124.15(9) . . ?
OE1'_A V2A'_A V3A'_A 81.08(8) . . ?
OA1'_A V2A'_A V3A'_A 48.02(7) . . ?
V2B'_A V2A'_A V3A'_A 59.89(2) . . ?
V1A'_A V2A'_A V3A'_A 61.51(2) . . ?
OG1'_A V2A'_A V3B_A 131.30(13) . . ?
OD1'_A V2A'_A V3B_A 82.76(10) . . ?
OC1'_A V2A'_A V3B_A 125.08(9) . . ?
OC3_A V2A'_A V3B_A 30.18(8) . . ?
OE1'_A V2A'_A V3B_A 78.63(9) . . ?
OA1'_A V2A'_A V3B_A 46.25(7) . . ?
V2B'_A V2A'_A V3B_A 64.25(2) . . ?
V1A'_A V2A'_A V3B_A 60.49(2) . . ?
V3A'_A V2A'_A V3B_A 94.23(3) . . ?
OG2'_A V2B'_A OC2'_A 105.01(15) . . ?
OG2'_A V2B'_A OD1'_A 104.42(14) . . ?
OC2'_A V2B'_A OD1'_A 93.98(13) . . ?
OG2'_A V2B'_A OC4_A 97.88(14) . . ?
OC2'_A V2B'_A OC4_A 156.06(12) . . ?
OD1'_A V2B'_A OC4_A 86.91(13) . . ?
OG2'_A V2B'_A OE2'_A 99.41(13) . . ?
OC2'_A V2B'_A OE2'_A 87.04(12) . . ?
OD1'_A V2B'_A OE2'_A 154.98(12) . . ?
OC4_A V2B'_A OE2'_A 82.37(11) . . ?
OG2'_A V2B'_A OA1'_A 170.53(14) . . ?
OC2'_A V2B'_A OA1'_A 81.02(11) . . ?
OD1'_A V2B'_A OA1'_A 82.13(11) . . ?
OC4_A V2B'_A OA1'_A 75.40(11) . . ?
OE2'_A V2B'_A OA1'_A 73.33(10) . . ?
OG2'_A V2B'_A V1A_A 130.98(11) . . ?
OC2'_A V2B'_A V1A_A 78.67(9) . . ?
OD1'_A V2B'_A V1A_A 124.30(9) . . ?
OC4_A V2B'_A V1A_A 81.11(8) . . ?
OE2'_A V2B'_A V1A_A 31.60(8) . . ?
OA1'_A V2B'_A V1A_A 42.19(7) . . ?
OG2'_A V2B'_A V2A'_A 136.72(11) . . ?
OC2'_A V2B'_A V2A'_A 85.12(9) . . ?
OD1'_A V2B'_A V2A'_A 32.30(9) . . ?
OC4_A V2B'_A V2A'_A 82.94(8) . . ?
OE2'_A V2B'_A V2A'_A 123.37(8) . . ?
OA1'_A V2B'_A V2A'_A 50.05(7) . . ?
V1A_A V2B'_A V2A'_A 92.08(2) . . ?
OG2'_A V2B'_A V3A'_A 138.15(12) . . ?
OC2'_A V2B'_A V3A'_A 33.21(9) . . ?
OD1'_A V2B'_A V3A'_A 82.92(9) . . ?
OC4_A V2B'_A V3A'_A 123.84(8) . . ?
OE2'_A V2B'_A V3A'_A 84.42(8) . . ?
OA1'_A V2B'_A V3A'_A 48.54(7) . . ?
V1A_A V2B'_A V3A'_A 61.11(2) . . ?
V2A'_A V2B'_A V3A'_A 60.52(2) . . ?
OE2'_A V1A_A OE1_A 104.82(13) . . ?
OE2'_A V1A_A OB2'_A 101.31(13) . . ?
OE1_A V1A_A OB2'_A 100.69(13) . . ?
OE2'_A V1A_A OA1'_A 87.51(12) . . ?
OE1_A V1A_A OA1'_A 164.58(13) . . ?
OB2'_A V1A_A OA1'_A 85.58(12) . . ?
OE2'_A V1A_A OA1_A 165.04(12) . . ?
OE1_A V1A_A OA1_A 86.95(12) . . ?
OB2'_A V1A_A OA1_A 85.18(12) . . ?
OA1'_A V1A_A OA1_A 79.50(11) . . ?
OE2'_A V1A_A OB1_A 92.12(12) . . ?
OE1_A V1A_A OB1_A 92.20(12) . . ?
OB2'_A V1A_A OB1_A 158.23(12) . . ?
OA1'_A V1A_A OB1_A 77.89(11) . . ?
OA1_A V1A_A OB1_A 78.00(11) . . ?
OE2'_A V1A_A V2A_A 144.66(9) . . ?
OE1_A V1A_A V2A_A 39.84(9) . . ?
OB2'_A V1A_A V2A_A 89.00(9) . . ?
OA1'_A V1A_A V2A_A 127.25(8) . . ?
OA1_A V1A_A V2A_A 47.75(8) . . ?
OB1_A V1A_A V2A_A 89.82(8) . . ?
OE2'_A V1A_A V2B'_A 39.08(9) . . ?
OE1_A V1A_A V2B'_A 143.90(10) . . ?
OB2'_A V1A_A V2B'_A 90.08(9) . . ?
OA1'_A V1A_A V2B'_A 49.04(8) . . ?
OA1_A V1A_A V2B'_A 128.54(8) . . ?
OB1_A V1A_A V2B'_A 89.69(8) . . ?
V2A_A V1A_A V2B'_A 176.25(3) . . ?
OG1_A V2A_A OC3'_A 103.66(15) . . ?
OG1_A V2A_A OD1_A 105.36(14) . . ?
OC3'_A V2A_A OD1_A 94.29(14) . . ?
OG1_A V2A_A OC1_A 97.43(14) . . ?
OC3'_A V2A_A OC1_A 157.65(13) . . ?
OD1_A V2A_A OC1_A 87.09(13) . . ?
OG1_A V2A_A OE1_A 96.76(13) . . ?
OC3'_A V2A_A OE1_A 87.90(13) . . ?
OD1_A V2A_A OE1_A 156.53(12) . . ?
OC1_A V2A_A OE1_A 82.31(12) . . ?
OG1_A V2A_A OA1_A 169.39(13) . . ?
OC3'_A V2A_A OA1_A 82.12(12) . . ?
OD1_A V2A_A OA1_A 82.79(11) . . ?
OC1_A V2A_A OA1_A 75.92(11) . . ?
OE1_A V2A_A OA1_A 74.35(10) . . ?
OG1_A V2A_A V1A_A 128.94(11) . . ?
OC3'_A V2A_A V1A_A 79.57(9) . . ?
OD1_A V2A_A V1A_A 125.41(9) . . ?
OC1_A V2A_A V1A_A 81.48(8) . . ?
OE1_A V2A_A V1A_A 32.23(8) . . ?
OA1_A V2A_A V1A_A 42.63(7) . . ?
OG1_A V2A_A V3B'_A 137.62(12) . . ?
OC3'_A V2A_A V3B'_A 34.01(9) . . ?
OD1_A V2A_A V3B'_A 82.84(10) . . ?
OC1_A V2A_A V3B'_A 124.74(9) . . ?
OE1_A V2A_A V3B'_A 86.10(8) . . ?
OA1_A V2A_A V3B'_A 48.98(7) . . ?
V1A_A V2A_A V3B'_A 62.15(2) . . ?
OG1_A V2A_A V2B_A 137.61(11) . . ?
OC3'_A V2A_A V2B_A 86.29(9) . . ?
OD1_A V2A_A V2B_A 32.27(9) . . ?
OC1_A V2A_A V2B_A 83.04(9) . . ?
OE1_A V2A_A V2B_A 125.03(8) . . ?
OA1_A V2A_A V2B_A 50.70(7) . . ?
V1A_A V2A_A V2B_A 93.21(3) . . ?
V3B'_A V2A_A V2B_A 60.89(2) . . ?
OF1_A V3A_A OC2_A 106.77(15) . . ?
OF1_A V3A_A OC1_A 100.92(15) . . ?
OC2_A V3A_A OC1_A 94.77(13) . . ?
OF1_A V3A_A OB2_A 102.22(14) . . ?
OC2_A V3A_A OB2_A 95.40(13) . . ?
OC1_A V3A_A OB2_A 150.78(13) . . ?
OF1_A V3A_A OB1_A 96.64(14) . . ?
OC2_A V3A_A OB1_A 156.20(13) . . ?
OC1_A V3A_A OB1_A 84.76(11) . . ?
OB2_A V3A_A OB1_A 75.08(11) . . ?
OF1_A V3A_A OA1_A 169.40(13) . . ?
OC2_A V3A_A OA1_A 83.81(12) . . ?
OC1_A V3A_A OA1_A 76.97(11) . . ?
OB2_A V3A_A OA1_A 77.00(11) . . ?
OB1_A V3A_A OA1_A 72.88(10) . . ?
OF1_A V3A_A V2B_A 140.34(11) . . ?
OC2_A V3A_A V2B_A 33.90(10) . . ?
OC1_A V3A_A V2B_A 83.30(9) . . ?
OB2_A V3A_A V2B_A 90.10(9) . . ?
OB1_A V3A_A V2B_A 123.00(8) . . ?
OA1_A V3A_A V2B_A 50.13(7) . . ?
OF2_A V3B_A OC3_A 106.02(15) . . ?
OF2_A V3B_A OC4_A 100.08(14) . . ?
OC3_A V3B_A OC4_A 94.74(13) . . ?
OF2_A V3B_A OB2_A 102.45(14) . . ?
OC3_A V3B_A OB2_A 95.26(13) . . ?
OC4_A V3B_A OB2_A 151.71(12) . . ?
OF2_A V3B_A OB1_A 97.15(14) . . ?
OC3_A V3B_A OB1_A 156.46(13) . . ?
OC4_A V3B_A OB1_A 85.08(11) . . ?
OB2_A V3B_A OB1_A 75.38(11) . . ?
OF2_A V3B_A OA1'_A 170.22(14) . . ?
OC3_A V3B_A OA1'_A 83.75(12) . . ?
OC4_A V3B_A OA1'_A 78.12(11) . . ?
OB2_A V3B_A OA1'_A 76.77(11) . . ?
OB1_A V3B_A OA1'_A 73.16(10) . . ?
OF2_A V3B_A V2A'_A 140.04(12) . . ?
OC3_A V3B_A V2A'_A 34.47(10) . . ?
OC4_A V3B_A V2A'_A 83.02(9) . . ?
OB2_A V3B_A V2A'_A 90.48(9) . . ?
OB1_A V3B_A V2A'_A 122.77(8) . . ?
OA1'_A V3B_A V2A'_A 49.61(7) . . ?
OF2'_A V3B'_A OC4'_A 103.81(15) . . ?
OF2'_A V3B'_A OC3'_A 102.84(15) . . ?
OC4'_A V3B'_A OC3'_A 95.05(13) . . ?
OF2'_A V3B'_A OB1'_A 101.42(14) . . ?
OC4'_A V3B'_A OB1'_A 92.74(13) . . ?
OC3'_A V3B'_A OB1'_A 151.90(13) . . ?
OF2'_A V3B'_A OB2'_A 99.97(14) . . ?
OC4'_A V3B'_A OB2'_A 155.19(13) . . ?
OC3'_A V3B'_A OB2'_A 86.39(12) . . ?
OB1'_A V3B'_A OB2'_A 75.59(11) . . ?
OF2'_A V3B'_A OA1_A 173.50(14) . . ?
OC4'_A V3B'_A OA1_A 82.30(12) . . ?
OC3'_A V3B'_A OA1_A 78.54(11) . . ?
OB1'_A V3B'_A OA1_A 75.81(11) . . ?
OB2'_A V3B'_A OA1_A 73.69(10) . . ?
OF2'_A V3B'_A V2A_A 134.89(11) . . ?
OC4'_A V3B'_A V2A_A 83.66(10) . . ?
OC3'_A V3B'_A V2A_A 32.21(9) . . ?
OB1'_A V3B'_A V2A_A 122.88(9) . . ?
OB2'_A V3B'_A V2A_A 84.56(8) . . ?
OA1_A V3B'_A V2A_A 47.15(7) . . ?
OF2'_A V3B'_A V3A'_A 89.50(11) . . ?
OC4'_A V3B'_A V3A'_A 131.39(10) . . ?
OC3'_A V3B'_A V3A'_A 127.69(9) . . ?
OB1'_A V3B'_A V3A'_A 38.65(8) . . ?
OB2'_A V3B'_A V3A'_A 41.30(8) . . ?
OA1_A V3B'_A V3A'_A 84.72(7) . . ?
V2A_A V3B'_A V3A'_A 118.95(3) . . ?
OF2'_A V3B'_A V2B_A 136.33(12) . . ?
OC4'_A V3B'_A V2B_A 32.68(10) . . ?
OC3'_A V3B'_A V2B_A 83.94(10) . . ?
OB1'_A V3B'_A V2B_A 88.26(9) . . ?
OB2'_A V3B'_A V2B_A 123.62(8) . . ?
OA1_A V3B'_A V2B_A 49.94(7) . . ?
V2A_A V3B'_A V2B_A 59.86(2) . . ?
V3A'_A V3B'_A V2B_A 120.54(3) . . ?
OF1'_A V3A'_A OC1'_A 104.50(15) . . ?
OF1'_A V3A'_A OC2'_A 103.45(15) . . ?
OC1'_A V3A'_A OC2'_A 94.03(13) . . ?
OF1'_A V3A'_A OB1'_A 101.27(14) . . ?
OC1'_A V3A'_A OB1'_A 91.69(12) . . ?
OC2'_A V3A'_A OB1'_A 152.31(13) . . ?
OF1'_A V3A'_A OB2'_A 99.41(14) . . ?
OC1'_A V3A'_A OB2'_A 154.77(13) . . ?
OC2'_A V3A'_A OB2'_A 88.09(12) . . ?
OB1'_A V3A'_A OB2'_A 75.69(11) . . ?
OF1'_A V3A'_A OA1'_A 173.02(13) . . ?
OC1'_A V3A'_A OA1'_A 81.55(12) . . ?
OC2'_A V3A'_A OA1'_A 79.30(11) . . ?
OB1'_A V3A'_A OA1'_A 74.78(11) . . ?
OB2'_A V3A'_A OA1'_A 74.14(10) . . ?
OF1'_A V3A'_A V3B'_A 89.06(11) . . ?
OC1'_A V3A'_A V3B'_A 129.95(10) . . ?
OC2'_A V3A'_A V3B'_A 129.86(9) . . ?
OB1'_A V3A'_A V3B'_A 38.27(8) . . ?
OB2'_A V3A'_A V3B'_A 41.78(8) . . ?
OA1'_A V3A'_A V3B'_A 84.32(7) . . ?
OF1'_A V3A'_A V2B'_A 135.09(12) . . ?
OC1'_A V3A'_A V2B'_A 83.04(9) . . ?
OC2'_A V3A'_A V2B'_A 31.76(9) . . ?
OB1'_A V3A'_A V2B'_A 122.99(9) . . ?
OB2'_A V3A'_A V2B'_A 85.73(8) . . ?
OA1'_A V3A'_A V2B'_A 48.25(7) . . ?
V3B'_A V3A'_A V2B'_A 120.16(3) . . ?
OF1'_A V3A'_A V2A'_A 136.79(11) . . ?
OC1'_A V3A'_A V2A'_A 32.42(10) . . ?
OC2'_A V3A'_A V2A'_A 83.14(9) . . ?
OB1'_A V3A'_A V2A'_A 87.37(9) . . ?
OB2'_A V3A'_A V2A'_A 123.65(8) . . ?
OA1'_A V3A'_A V2A'_A 49.53(7) . . ?
V3B'_A V3A'_A V2A'_A 119.61(3) . . ?
V2B'_A V3A'_A V2A'_A 59.59(2) . . ?
V1A'_A OE2_A V2B_A 112.59(15) . . ?
V1A'_A OE1'_A V2A'_A 111.75(14) . . ?
V2A'_A OD1'_A V2B'_A 114.67(15) . . ?
V1A_A OE2'_A V2B'_A 109.32(14) . . ?
V1A_A OE1_A V2A_A 107.93(14) . . ?
V2B_A OD1_A V2A_A 115.27(15) . . ?
V3A_A OC2_A V2B_A 116.10(16) . . ?
V3A_A OB2_A V3B_A 107.69(13) . . ?
V3A_A OB2_A V1A'_A 107.34(13) . . ?
V3B_A OB2_A V1A'_A 106.98(13) . . ?
V3B_A OC3_A V2A'_A 115.35(15) . . ?
V3B_A OC4_A V2B'_A 112.70(14) . . ?
V1A_A OB1_A V3B_A 105.55(12) . . ?
V1A_A OB1_A V3A_A 105.75(12) . . ?
V3B_A OB1_A V3A_A 94.73(11) . . ?
V3A_A OC1_A V2A_A 112.27(15) . . ?
V3B'_A OC4'_A V2B_A 116.64(15) . . ?
V1A'_A OB1'_A V3B'_A 108.82(14) . . ?
V1A'_A OB1'_A V3A'_A 109.28(14) . . ?
V3B'_A OB1'_A V3A'_A 103.08(13) . . ?
V3A'_A OC1'_A V2A'_A 116.34(15) . . ?
V2B'_A OC2'_A V3A'_A 115.03(15) . . ?
V1A_A OB2'_A V3A'_A 107.39(13) . . ?
V1A_A OB2'_A V3B'_A 107.84(14) . . ?
V3A'_A OB2'_A V3B'_A 96.91(12) . . ?
V2A_A OC3'_A V3B'_A 113.78(15) . . ?
V1A_A OA1_A V1A'_A 101.19(11) . . ?
V1A_A OA1_A V2A_A 89.62(10) . . ?
V1A'_A OA1_A V2A_A 167.65(14) . . ?
V1A_A OA1_A V3A_A 102.22(12) . . ?
V1A'_A OA1_A V3A_A 90.67(10) . . ?
V2A_A OA1_A V3A_A 92.85(10) . . ?
V1A_A OA1_A V3B'_A 91.71(11) . . ?
V1A'_A OA1_A V3B'_A 89.81(10) . . ?
V2A_A OA1_A V3B'_A 83.87(9) . . ?
V3A_A OA1_A V3B'_A 165.69(13) . . ?
V1A_A OA1_A V2B_A 170.72(14) . . ?
V1A'_A OA1_A V2B_A 85.97(9) . . ?
V2A_A OA1_A V2B_A 82.69(9) . . ?
V3A_A OA1_A V2B_A 83.41(9) . . ?
V3B'_A OA1_A V2B_A 82.36(9) . . ?
V1A_A OA1'_A V1A'_A 102.05(12) . . ?
V1A_A OA1'_A V3B_A 102.08(12) . . ?
V1A'_A OA1'_A V3B_A 91.26(11) . . ?
V1A_A OA1'_A V2B'_A 88.77(10) . . ?
V1A'_A OA1'_A V2B'_A 167.83(14) . . ?
V3B_A OA1'_A V2B'_A 91.91(10) . . ?
V1A_A OA1'_A V3A'_A 90.69(10) . . ?
V1A'_A OA1'_A V3A'_A 91.01(10) . . ?
V3B_A OA1'_A V3A'_A 166.26(13) . . ?
V2B'_A OA1'_A V3A'_A 83.21(9) . . ?
V1A_A OA1'_A V2A'_A 168.85(14) . . ?
V1A'_A OA1'_A V2A'_A 86.91(10) . . ?
V3B_A OA1'_A V2A'_A 84.14(9) . . ?
V2B'_A OA1'_A V2A'_A 81.73(9) . . ?
V3A'_A OA1'_A V2A'_A 82.45(9) . . ?
OG2_B V2B_B OD1_B 104.90(15) . . ?
OG2_B V2B_B OC4'_B 102.84(16) . . ?
OD1_B V2B_B OC4'_B 91.12(14) . . ?
OG2_B V2B_B OC2_B 101.98(16) . . ?
OD1_B V2B_B OC2_B 91.56(14) . . ?
OC4'_B V2B_B OC2_B 153.43(13) . . ?
OG2_B V2B_B OE2_B 102.69(14) . . ?
OD1_B V2B_B OE2_B 152.41(13) . . ?
OC4'_B V2B_B OE2_B 83.49(13) . . ?
OC2_B V2B_B OE2_B 81.97(13) . . ?
OG2_B V2B_B OA1_B 175.88(14) . . ?
OD1_B V2B_B OA1_B 79.03(11) . . ?
OC4'_B V2B_B OA1_B 78.14(11) . . ?
OC2_B V2B_B OA1_B 76.44(11) . . ?
OE2_B V2B_B OA1_B 73.38(11) . . ?
OG2_B V2B_B V2A_B 137.44(12) . . ?
OD1_B V2B_B V2A_B 32.64(9) . . ?
OC4'_B V2B_B V2A_B 81.69(9) . . ?
OC2_B V2B_B V2A_B 86.45(9) . . ?
OE2_B V2B_B V2A_B 119.84(9) . . ?
OA1_B V2B_B V2A_B 46.55(7) . . ?
OG2_B V2B_B V1A'_B 132.70(12) . . ?
OD1_B V2B_B V1A'_B 122.41(10) . . ?
OC4'_B V2B_B V1A'_B 78.19(9) . . ?
OC2_B V2B_B V1A'_B 78.09(9) . . ?
OE2_B V2B_B V1A'_B 30.01(8) . . ?
OA1_B V2B_B V1A'_B 43.39(7) . . ?
V2A_B V2B_B V1A'_B 89.83(3) . . ?
OG2_B V2B_B V3A_B 132.09(13) . . ?
OD1_B V2B_B V3A_B 82.55(10) . . ?
OC4'_B V2B_B V3A_B 124.58(9) . . ?
OC2_B V2B_B V3A_B 30.14(9) . . ?
OE2_B V2B_B V3A_B 78.47(9) . . ?
OA1_B V2B_B V3A_B 46.53(7) . . ?
V2A_B V2B_B V3A_B 64.05(2) . . ?
V1A'_B V2B_B V3A_B 60.65(2) . . ?
OG2_B V2B_B V3B'_B 133.49(13) . . ?
OD1_B V2B_B V3B'_B 81.65(10) . . ?
OC4'_B V2B_B V3B'_B 30.71(9) . . ?
OC2_B V2B_B V3B'_B 124.11(9) . . ?
OE2_B V2B_B V3B'_B 80.00(9) . . ?
OA1_B V2B_B V3B'_B 47.73(7) . . ?
V2A_B V2B_B V3B'_B 59.30(2) . . ?
V1A'_B V2B_B V3B'_B 60.82(2) . . ?
V3A_B V2B_B V3B'_B 94.25(3) . . ?
OE2_B V1A'_B OE1'_B 107.84(14) . . ?
OE2_B V1A'_B OB1'_B 97.67(14) . . ?
OE1'_B V1A'_B OB1'_B 96.88(13) . . ?
OE2_B V1A'_B OB2_B 96.52(14) . . ?
OE1'_B V1A'_B OB2_B 97.02(13) . . ?
OB1'_B V1A'_B OB2_B 156.03(12) . . ?
OE2_B V1A'_B OA1'_B 164.38(13) . . ?
OE1'_B V1A'_B OA1'_B 87.74(12) . . ?
OB1'_B V1A'_B OA1'_B 81.22(11) . . ?
OB2_B V1A'_B OA1'_B 79.93(11) . . ?
OE2_B V1A'_B OA1_B 87.68(12) . . ?
OE1'_B V1A'_B OA1_B 164.46(13) . . ?
OB1'_B V1A'_B OA1_B 81.42(12) . . ?
OB2_B V1A'_B OA1_B 79.95(11) . . ?
OA1'_B V1A'_B OA1_B 76.73(10) . . ?
OE2_B V1A'_B V2A'_B 145.42(10) . . ?
OE1'_B V1A'_B V2A'_B 37.59(10) . . ?
OB1'_B V1A'_B V2A'_B 88.60(9) . . ?
OB2_B V1A'_B V2A'_B 90.61(9) . . ?
OA1'_B V1A'_B V2A'_B 50.18(7) . . ?
OA1_B V1A'_B V2A'_B 126.90(8) . . ?
OE2_B V1A'_B V2B_B 37.18(10) . . ?
OE1'_B V1A'_B V2B_B 145.01(10) . . ?
OB1'_B V1A'_B V2B_B 89.53(9) . . ?
OB2_B V1A'_B V2B_B 90.18(9) . . ?
OA1'_B V1A'_B V2B_B 127.26(8) . . ?
OA1_B V1A'_B V2B_B 50.53(7) . . ?
V2A'_B V1A'_B V2B_B 177.08(3) . . ?
OG1'_B V2A'_B OD1'_B 104.66(14) . . ?
OG1'_B V2A'_B OC1'_B 103.08(15) . . ?
OD1'_B V2A'_B OC1'_B 91.62(13) . . ?
OG1'_B V2A'_B OC3_B 101.18(15) . . ?
OD1'_B V2A'_B OC3_B 91.26(13) . . ?
OC1'_B V2A'_B OC3_B 153.97(13) . . ?
OG1'_B V2A'_B OE1'_B 101.02(14) . . ?
OD1'_B V2A'_B OE1'_B 154.22(12) . . ?
OC1'_B V2A'_B OE1'_B 84.59(12) . . ?
OC3_B V2A'_B OE1'_B 81.65(12) . . ?
OG1'_B V2A'_B OA1'_B 173.94(14) . . ?
OD1'_B V2A'_B OA1'_B 80.90(11) . . ?
OC1'_B V2A'_B OA1'_B 78.90(11) . . ?
OC3_B V2A'_B OA1'_B 76.04(11) . . ?
OE1'_B V2A'_B OA1'_B 73.35(10) . . ?
OG1'_B V2A'_B V2B'_B 137.51(12) . . ?
OD1'_B V2A'_B V2B'_B 32.92(9) . . ?
OC1'_B V2A'_B V2B'_B 82.22(9) . . ?
OC3_B V2A'_B V2B'_B 86.28(9) . . ?
OE1'_B V2A'_B V2B'_B 121.46(8) . . ?
OA1'_B V2A'_B V2B'_B 48.18(7) . . ?
OG1'_B V2A'_B V1A'_B 131.31(12) . . ?
OD1'_B V2A'_B V1A'_B 123.99(9) . . ?
OC1'_B V2A'_B V1A'_B 79.26(9) . . ?
OC3_B V2A'_B V1A'_B 77.72(9) . . ?
OE1'_B V2A'_B V1A'_B 30.28(8) . . ?
OA1'_B V2A'_B V1A'_B 43.09(7) . . ?
V2B'_B V2A'_B V1A'_B 91.18(2) . . ?
OG1'_B V2A'_B V3A'_B 134.23(12) . . ?
OD1'_B V2A'_B V3A'_B 82.61(9) . . ?
OC1'_B V2A'_B V3A'_B 31.17(9) . . ?
OC3_B V2A'_B V3A'_B 124.08(9) . . ?
OE1'_B V2A'_B V3A'_B 81.05(8) . . ?
OA1'_B V2A'_B V3A'_B 48.07(7) . . ?
V2B'_B V2A'_B V3A'_B 59.88(2) . . ?
V1A'_B V2A'_B V3A'_B 61.58(2) . . ?
OG1'_B V2A'_B V3B_B 131.33(12) . . ?
OD1'_B V2A'_B V3B_B 82.92(9) . . ?
OC1'_B V2A'_B V3B_B 125.01(9) . . ?
OC3_B V2A'_B V3B_B 30.16(8) . . ?
OE1'_B V2A'_B V3B_B 78.56(9) . . ?
OA1'_B V2A'_B V3B_B 46.15(7) . . ?
V2B'_B V2A'_B V3B_B 64.24(2) . . ?
V1A'_B V2A'_B V3B_B 60.49(2) . . ?
V3A'_B V2A'_B V3B_B 94.18(3) . . ?
OG2'_B V2B'_B OC2'_B 104.81(15) . . ?
OG2'_B V2B'_B OD1'_B 105.01(14) . . ?
OC2'_B V2B'_B OD1'_B 93.42(13) . . ?
OG2'_B V2B'_B OC4_B 98.23(14) . . ?
OC2'_B V2B'_B OC4_B 155.95(13) . . ?
OD1'_B V2B'_B OC4_B 87.11(12) . . ?
OG2'_B V2B'_B OE2'_B 99.23(13) . . ?
OC2'_B V2B'_B OE2'_B 87.56(12) . . ?
OD1'_B V2B'_B OE2'_B 154.60(12) . . ?
OC4_B V2B'_B OE2'_B 81.98(11) . . ?
OG2'_B V2B'_B OA1'_B 170.35(14) . . ?
OC2'_B V2B'_B OA1'_B 81.19(12) . . ?
OD1'_B V2B'_B OA1'_B 81.87(11) . . ?
OC4_B V2B'_B OA1'_B 75.09(10) . . ?
OE2'_B V2B'_B OA1'_B 73.19(10) . . ?
OG2'_B V2B'_B V1A_B 130.83(11) . . ?
OC2'_B V2B'_B V1A_B 78.95(10) . . ?
OD1'_B V2B'_B V1A_B 123.90(9) . . ?
OC4_B V2B'_B V1A_B 80.84(8) . . ?
OE2'_B V2B'_B V1A_B 31.63(8) . . ?
OA1'_B V2B'_B V1A_B 42.06(7) . . ?
OG2'_B V2B'_B V2A'_B 137.06(11) . . ?
OC2'_B V2B'_B V2A'_B 84.99(9) . . ?
OD1'_B V2B'_B V2A'_B 32.05(9) . . ?
OC4_B V2B'_B V2A'_B 82.79(8) . . ?
OE2'_B V2B'_B V2A'_B 123.19(8) . . ?
OA1'_B V2B'_B V2A'_B 50.00(7) . . ?
V1A_B V2B'_B V2A'_B 91.91(2) . . ?
OG2'_B V2B'_B V3A'_B 138.06(12) . . ?
OC2'_B V2B'_B V3A'_B 33.30(9) . . ?
OD1'_B V2B'_B V3A'_B 82.52(9) . . ?
OC4_B V2B'_B V3A'_B 123.56(8) . . ?
OE2'_B V2B'_B V3A'_B 84.54(8) . . ?
OA1'_B V2B'_B V3A'_B 48.57(7) . . ?
V1A_B V2B'_B V3A'_B 61.06(2) . . ?
V2A'_B V2B'_B V3A'_B 60.47(2) . . ?
OE2'_B V1A_B OE1_B 104.87(13) . . ?
OE2'_B V1A_B OB2'_B 101.54(13) . . ?
OE1_B V1A_B OB2'_B 100.77(13) . . ?
OE2'_B V1A_B OA1'_B 87.47(12) . . ?
OE1_B V1A_B OA1'_B 164.43(13) . . ?
OB2'_B V1A_B OA1'_B 85.67(12) . . ?
OE2'_B V1A_B OA1_B 164.97(12) . . ?
OE1_B V1A_B OA1_B 86.71(12) . . ?
OB2'_B V1A_B OA1_B 85.29(12) . . ?
OA1'_B V1A_B OA1_B 79.65(11) . . ?
OE2'_B V1A_B OB1_B 91.98(12) . . ?
OE1_B V1A_B OB1_B 91.97(12) . . ?
OB2'_B V1A_B OB1_B 158.25(12) . . ?
OA1'_B V1A_B OB1_B 77.92(11) . . ?
OA1_B V1A_B OB1_B 77.86(11) . . ?
OE2'_B V1A_B V2A_B 144.62(9) . . ?
OE1_B V1A_B V2A_B 39.75(9) . . ?
OB2'_B V1A_B V2A_B 89.05(9) . . ?
OA1'_B V1A_B V2A_B 127.28(8) . . ?
OA1_B V1A_B V2A_B 47.62(8) . . ?
OB1_B V1A_B V2A_B 89.64(8) . . ?
OE2'_B V1A_B V2B'_B 39.07(9) . . ?
OE1_B V1A_B V2B'_B 143.94(10) . . ?
OB2'_B V1A_B V2B'_B 90.08(9) . . ?
OA1'_B V1A_B V2B'_B 49.06(8) . . ?
OA1_B V1A_B V2B'_B 128.71(8) . . ?
OB1_B V1A_B V2B'_B 89.83(8) . . ?
V2A_B V1A_B V2B'_B 176.30(3) . . ?
OG1_B V2A_B OC3'_B 103.53(15) . . ?
OG1_B V2A_B OD1_B 105.31(14) . . ?
OC3'_B V2A_B OD1_B 94.24(14) . . ?
OG1_B V2A_B OC1_B 97.25(15) . . ?
OC3'_B V2A_B OC1_B 158.00(12) . . ?
OD1_B V2A_B OC1_B 87.13(13) . . ?
OG1_B V2A_B OE1_B 96.57(13) . . ?
OC3'_B V2A_B OE1_B 88.13(13) . . ?
OD1_B V2A_B OE1_B 156.74(12) . . ?
OC1_B V2A_B OE1_B 82.31(12) . . ?
OG1_B V2A_B OA1_B 169.36(13) . . ?
OC3'_B V2A_B OA1_B 82.35(12) . . ?
OD1_B V2A_B OA1_B 82.83(11) . . ?
OC1_B V2A_B OA1_B 76.02(11) . . ?
OE1_B V2A_B OA1_B 74.55(10) . . ?
OG1_B V2A_B V1A_B 128.83(11) . . ?
OC3'_B V2A_B V1A_B 79.77(9) . . ?
OD1_B V2A_B V1A_B 125.57(9) . . ?
OC1_B V2A_B V1A_B 81.61(8) . . ?
OE1_B V2A_B V1A_B 32.31(8) . . ?
OA1_B V2A_B V1A_B 42.76(7) . . ?
OG1_B V2A_B V3B'_B 137.66(12) . . ?
OC3'_B V2A_B V3B'_B 34.17(9) . . ?
OD1_B V2A_B V3B'_B 82.88(10) . . ?
OC1_B V2A_B V3B'_B 124.90(8) . . ?
OE1_B V2A_B V3B'_B 86.27(8) . . ?
OA1_B V2A_B V3B'_B 49.03(8) . . ?
V1A_B V2A_B V3B'_B 62.20(2) . . ?
OG1_B V2A_B V2B_B 137.53(11) . . ?
OC3'_B V2A_B V2B_B 86.40(9) . . ?
OD1_B V2A_B V2B_B 32.24(9) . . ?
OC1_B V2A_B V2B_B 83.10(9) . . ?
OE1_B V2A_B V2B_B 125.28(8) . . ?
OA1_B V2A_B V2B_B 50.76(7) . . ?
V1A_B V2A_B V2B_B 93.40(3) . . ?
V3B'_B V2A_B V2B_B 60.98(2) . . ?
OF2'_B V3B'_B OC4'_B 104.05(15) . . ?
OF2'_B V3B'_B OC3'_B 102.65(15) . . ?
OC4'_B V3B'_B OC3'_B 94.85(13) . . ?
OF2'_B V3B'_B OB1'_B 101.43(14) . . ?
OC4'_B V3B'_B OB1'_B 93.03(13) . . ?
OC3'_B V3B'_B OB1'_B 151.96(13) . . ?
OF2'_B V3B'_B OB2'_B 100.06(14) . . ?
OC4'_B V3B'_B OB2'_B 154.96(13) . . ?
OC3'_B V3B'_B OB2'_B 86.31(12) . . ?
OB1'_B V3B'_B OB2'_B 75.51(11) . . ?
OF2'_B V3B'_B OA1_B 173.56(14) . . ?
OC4'_B V3B'_B OA1_B 82.09(12) . . ?
OC3'_B V3B'_B OA1_B 78.50(12) . . ?
OB1'_B V3B'_B OA1_B 76.01(11) . . ?
OB2'_B V3B'_B OA1_B 73.62(11) . . ?
OF2'_B V3B'_B V2A_B 134.83(11) . . ?
OC4'_B V3B'_B V2A_B 83.48(10) . . ?
OC3'_B V3B'_B V2A_B 32.32(9) . . ?
OB1'_B V3B'_B V2A_B 122.88(9) . . ?
OB2'_B V3B'_B V2A_B 84.34(8) . . ?
OA1_B V3B'_B V2A_B 46.97(7) . . ?
OF2'_B V3B'_B V3A'_B 89.52(11) . . ?
OC4'_B V3B'_B V3A'_B 131.58(10) . . ?
OC3'_B V3B'_B V3A'_B 127.65(9) . . ?
OB1'_B V3B'_B V3A'_B 38.55(8) . . ?
OB2'_B V3B'_B V3A'_B 41.35(8) . . ?
OA1_B V3B'_B V3A'_B 84.85(7) . . ?
V2A_B V3B'_B V3A'_B 118.83(3) . . ?
OF2'_B V3B'_B V2B_B 136.43(12) . . ?
OC4'_B V3B'_B V2B_B 32.55(10) . . ?
OC3'_B V3B'_B V2B_B 83.80(10) . . ?
OB1'_B V3B'_B V2B_B 88.59(9) . . ?
OB2'_B V3B'_B V2B_B 123.46(8) . . ?
OA1_B V3B'_B V2B_B 49.85(7) . . ?
V2A_B V3B'_B V2B_B 59.71(2) . . ?
V3A'_B V3B'_B V2B_B 120.70(3) . . ?
OF1'_B V3A'_B OC1'_B 104.51(15) . . ?
OF1'_B V3A'_B OC2'_B 103.16(15) . . ?
OC1'_B V3A'_B OC2'_B 93.70(13) . . ?
OF1'_B V3A'_B OB1'_B 101.22(14) . . ?
OC1'_B V3A'_B OB1'_B 91.91(12) . . ?
OC2'_B V3A'_B OB1'_B 152.71(13) . . ?
OF1'_B V3A'_B OB2'_B 99.68(14) . . ?
OC1'_B V3A'_B OB2'_B 154.56(13) . . ?
OC2'_B V3A'_B OB2'_B 88.34(12) . . ?
OB1'_B V3A'_B OB2'_B 75.59(11) . . ?
OF1'_B V3A'_B OA1'_B 173.08(13) . . ?
OC1'_B V3A'_B OA1'_B 81.51(12) . . ?
OC2'_B V3A'_B OA1'_B 79.56(12) . . ?
OB1'_B V3A'_B OA1'_B 74.90(11) . . ?
OB2'_B V3A'_B OA1'_B 73.91(10) . . ?
OF1'_B V3A'_B V3B'_B 89.16(11) . . ?
OC1'_B V3A'_B V3B'_B 129.96(10) . . ?
OC2'_B V3A'_B V3B'_B 130.25(9) . . ?
OB1'_B V3A'_B V3B'_B 38.06(8) . . ?
OB2'_B V3A'_B V3B'_B 41.92(8) . . ?
OA1'_B V3A'_B V3B'_B 84.29(7) . . ?
OF1'_B V3A'_B V2B'_B 135.05(12) . . ?
OC1'_B V3A'_B V2B'_B 82.89(10) . . ?
OC2'_B V3A'_B V2B'_B 31.99(9) . . ?
OB1'_B V3A'_B V2B'_B 123.09(9) . . ?
OB2'_B V3A'_B V2B'_B 85.60(8) . . ?
OA1'_B V3A'_B V2B'_B 48.23(7) . . ?
V3B'_B V3A'_B V2B'_B 120.21(3) . . ?
OF1'_B V3A'_B V2A'_B 136.73(11) . . ?
OC1'_B V3A'_B V2A'_B 32.34(10) . . ?
OC2'_B V3A'_B V2A'_B 83.22(9) . . ?
OB1'_B V3A'_B V2A'_B 87.41(8) . . ?
OB2'_B V3A'_B V2A'_B 123.44(8) . . ?
OA1'_B V3A'_B V2A'_B 49.54(7) . . ?
V3B'_B V3A'_B V2A'_B 119.45(3) . . ?
V2B'_B V3A'_B V2A'_B 59.65(2) . . ?
OF1_B V3A_B OC2_B 106.67(16) . . ?
OF1_B V3A_B OB2_B 102.41(15) . . ?
OC2_B V3A_B OB2_B 95.33(13) . . ?
OF1_B V3A_B OC1_B 100.95(15) . . ?
OC2_B V3A_B OC1_B 95.04(13) . . ?
OB2_B V3A_B OC1_B 150.45(13) . . ?
OF1_B V3A_B OB1_B 97.08(14) . . ?
OC2_B V3A_B OB1_B 155.85(13) . . ?
OB2_B V3A_B OB1_B 74.91(11) . . ?
OC1_B V3A_B OB1_B 84.52(11) . . ?
OF1_B V3A_B OA1_B 169.60(14) . . ?
OC2_B V3A_B OA1_B 83.70(13) . . ?
OB2_B V3A_B OA1_B 76.93(11) . . ?
OC1_B V3A_B OA1_B 76.82(11) . . ?
OB1_B V3A_B OA1_B 72.66(10) . . ?
OF1_B V3A_B V2B_B 140.20(12) . . ?
OC2_B V3A_B V2B_B 33.90(10) . . ?
OB2_B V3A_B V2B_B 90.26(9) . . ?
OC1_B V3A_B V2B_B 83.17(9) . . ?
OB1_B V3A_B V2B_B 122.71(8) . . ?
OA1_B V3A_B V2B_B 50.05(7) . . ?
OF2_B V3B_B OC3_B 106.36(15) . . ?
OF2_B V3B_B OB2_B 102.49(14) . . ?
OC3_B V3B_B OB2_B 95.36(13) . . ?
OF2_B V3B_B OC4_B 100.06(14) . . ?
OC3_B V3B_B OC4_B 94.67(13) . . ?
OB2_B V3B_B OC4_B 151.57(12) . . ?
OF2_B V3B_B OB1_B 96.97(14) . . ?
OC3_B V3B_B OB1_B 156.31(13) . . ?
OB2_B V3B_B OB1_B 75.26(11) . . ?
OC4_B V3B_B OB1_B 85.06(11) . . ?
OF2_B V3B_B OA1'_B 169.96(14) . . ?
OC3_B V3B_B OA1'_B 83.64(12) . . ?
OB2_B V3B_B OA1'_B 77.00(11) . . ?
OC4_B V3B_B OA1'_B 77.77(11) . . ?
OB1_B V3B_B OA1'_B 73.13(10) . . ?
OF2_B V3B_B V2A'_B 140.13(12) . . ?
OC3_B V3B_B V2A'_B 34.23(10) . . ?
OB2_B V3B_B V2A'_B 90.64(9) . . ?
OC4_B V3B_B V2A'_B 82.92(9) . . ?
OB1_B V3B_B V2A'_B 122.85(8) . . ?
OA1'_B V3B_B V2A'_B 49.71(7) . . ?
V1A'_B OE2_B V2B_B 112.81(15) . . ?
V1A'_B OE1'_B V2A'_B 112.13(15) . . ?
V2A'_B OD1'_B V2B'_B 115.03(15) . . ?
V1A_B OE2'_B V2B'_B 109.30(13) . . ?
V1A_B OE1_B V2A_B 107.94(14) . . ?
V2B_B OD1_B V2A_B 115.12(15) . . ?
V3B'_B OC4'_B V2B_B 116.74(16) . . ?
V1A'_B OB1'_B V3B'_B 108.73(14) . . ?
V1A'_B OB1'_B V3A'_B 109.33(13) . . ?
V3B'_B OB1'_B V3A'_B 103.39(13) . . ?
V3A'_B OC1'_B V2A'_B 116.49(16) . . ?
V2B'_B OC2'_B V3A'_B 114.71(16) . . ?
V1A_B OB2'_B V3A'_B 107.54(13) . . ?
V1A_B OB2'_B V3B'_B 107.94(14) . . ?
V3A'_B OB2'_B V3B'_B 96.73(12) . . ?
V2A_B OC3'_B V3B'_B 113.51(15) . . ?
V3A_B OC2_B V2B_B 115.96(16) . . ?
V3B_B OB2_B V3A_B 107.98(14) . . ?
V3B_B OB2_B V1A'_B 106.97(14) . . ?
V3A_B OB2_B V1A'_B 107.50(13) . . ?
V3B_B OC3_B V2A'_B 115.61(15) . . ?
V3B_B OC4_B V2B'_B 113.18(13) . . ?
V1A_B OB1_B V3B_B 105.47(12) . . ?
V1A_B OB1_B V3A_B 106.13(12) . . ?
V3B_B OB1_B V3A_B 94.64(11) . . ?
V3A_B OC1_B V2A_B 112.21(14) . . ?
V1A_B OA1_B V1A'_B 101.08(12) . . ?
V1A_B OA1_B V2A_B 89.61(10) . . ?
V1A'_B OA1_B V2A_B 167.72(14) . . ?
V1A_B OA1_B V3A_B 102.26(12) . . ?
V1A'_B OA1_B V3A_B 90.67(11) . . ?
V2A_B OA1_B V3A_B 92.97(11) . . ?
V1A_B OA1_B V3B'_B 91.62(11) . . ?
V1A'_B OA1_B V3B'_B 89.62(11) . . ?
V2A_B OA1_B V3B'_B 84.00(10) . . ?
V3A_B OA1_B V3B'_B 165.79(14) . . ?
V1A_B OA1_B V2B_B 170.70(15) . . ?
V1A'_B OA1_B V2B_B 86.08(10) . . ?
V2A_B OA1_B V2B_B 82.69(9) . . ?
V3A_B OA1_B V2B_B 83.42(10) . . ?
V3B'_B OA1_B V2B_B 82.42(9) . . ?
V1A_B OA1'_B V1A'_B 102.01(12) . . ?
V1A_B OA1'_B V3B_B 102.17(12) . . ?
V1A'_B OA1'_B V3B_B 91.21(11) . . ?
V1A_B OA1'_B V2B'_B 88.88(10) . . ?
V1A'_B OA1'_B V2B'_B 167.71(14) . . ?
V3B_B OA1'_B V2B'_B 92.05(10) . . ?
V1A_B OA1'_B V3A'_B 90.70(10) . . ?
V1A'_B OA1'_B V3A'_B 90.91(10) . . ?
V3B_B OA1'_B V3A'_B 166.22(13) . . ?
V2B'_B OA1'_B V3A'_B 83.20(9) . . ?
V1A_B OA1'_B V2A'_B 168.99(14) . . ?
V1A'_B OA1'_B V2A'_B 86.73(10) . . ?
V3B_B OA1'_B V2A'_B 84.14(9) . . ?
V2B'_B OA1'_B V2A'_B 81.82(9) . . ?
V3A'_B OA1'_B V2A'_B 82.39(9) . . ?
OG1_C V2A_C OC3'_C 104.33(16) . . ?
OG1_C V2A_C OD1_C 105.00(16) . . ?
OC3'_C V2A_C OD1_C 94.39(15) . . ?
OG1_C V2A_C OC1_C 97.38(15) . . ?
OC3'_C V2A_C OC1_C 156.99(14) . . ?
OD1_C V2A_C OC1_C 87.20(14) . . ?
OG1_C V2A_C OE1_C 97.09(14) . . ?
OC3'_C V2A_C OE1_C 88.07(13) . . ?
OD1_C V2A_C OE1_C 156.37(14) . . ?
OC1_C V2A_C OE1_C 81.68(12) . . ?
OG1_C V2A_C OA1_C 169.30(14) . . ?
OC3'_C V2A_C OA1_C 81.80(13) . . ?
OD1_C V2A_C OA1_C 82.97(12) . . ?
OC1_C V2A_C OA1_C 75.60(11) . . ?
OE1_C V2A_C OA1_C 74.11(11) . . ?
OG1_C V2A_C V1A_C 129.23(12) . . ?
OC3'_C V2A_C V1A_C 79.23(10) . . ?
OD1_C V2A_C V1A_C 125.45(11) . . ?
OC1_C V2A_C V1A_C 81.17(9) . . ?
OE1_C V2A_C V1A_C 32.20(8) . . ?
OA1_C V2A_C V1A_C 42.49(7) . . ?
OG1_C V2A_C V3B'_C 138.22(13) . . ?
OC3'_C V2A_C V3B'_C 33.95(10) . . ?
OD1_C V2A_C V3B'_C 83.01(11) . . ?
OC1_C V2A_C V3B'_C 124.19(9) . . ?
OE1_C V2A_C V3B'_C 86.10(9) . . ?
OA1_C V2A_C V3B'_C 48.73(8) . . ?
V1A_C V2A_C V3B'_C 61.84(2) . . ?
OG1_C V2A_C V2B_C 137.42(12) . . ?
OC3'_C V2A_C V2B_C 86.05(10) . . ?
OD1_C V2A_C V2B_C 32.44(10) . . ?
OC1_C V2A_C V2B_C 83.06(9) . . ?
OE1_C V2A_C V2B_C 124.80(9) . . ?
OA1_C V2A_C V2B_C 50.72(7) . . ?
V1A_C V2A_C V2B_C 93.08(3) . . ?
V3B'_C V2A_C V2B_C 60.73(2) . . ?
OE2'_C V1A_C OE1_C 105.31(14) . . ?
OE2'_C V1A_C OB2'_C 101.40(14) . . ?
OE1_C V1A_C OB2'_C 101.44(14) . . ?
OE2'_C V1A_C OA1_C 164.45(13) . . ?
OE1_C V1A_C OA1_C 86.74(13) . . ?
OB2'_C V1A_C OA1_C 85.40(12) . . ?
OE2'_C V1A_C OA1'_C 86.96(13) . . ?
OE1_C V1A_C OA1'_C 164.20(13) . . ?
OB2'_C V1A_C OA1'_C 85.43(12) . . ?
OA1_C V1A_C OA1'_C 79.59(11) . . ?
OE2'_C V1A_C OB1_C 91.60(13) . . ?
OE1_C V1A_C OB1_C 91.80(13) . . ?
OB2'_C V1A_C OB1_C 158.14(12) . . ?
OA1_C V1A_C OB1_C 78.01(11) . . ?
OA1'_C V1A_C OB1_C 77.71(12) . . ?
OE2'_C V1A_C V2A_C 145.01(10) . . ?
OE1_C V1A_C V2A_C 39.70(10) . . ?
OB2'_C V1A_C V2A_C 89.33(10) . . ?
OA1_C V1A_C V2A_C 47.77(8) . . ?
OA1'_C V1A_C V2A_C 127.36(8) . . ?
OB1_C V1A_C V2A_C 89.93(9) . . ?
OE2'_C V1A_C V2B'_C 38.36(10) . . ?
OE1_C V1A_C V2B'_C 143.67(10) . . ?
OB2'_C V1A_C V2B'_C 89.74(10) . . ?
OA1_C V1A_C V2B'_C 128.90(9) . . ?
OA1'_C V1A_C V2B'_C 49.31(8) . . ?
OB1_C V1A_C V2B'_C 89.72(9) . . ?
V2A_C V1A_C V2B'_C 176.62(3) . . ?
OG2'_C V2B'_C OC2'_C 104.55(16) . . ?
OG2'_C V2B'_C OD1'_C 104.94(16) . . ?
OC2'_C V2B'_C OD1'_C 92.51(14) . . ?
OG2'_C V2B'_C OC4_C 99.78(15) . . ?
OC2'_C V2B'_C OC4_C 155.09(13) . . ?
OD1'_C V2B'_C OC4_C 86.29(13) . . ?
OG2'_C V2B'_C OE2'_C 100.04(15) . . ?
OC2'_C V2B'_C OE2'_C 88.33(13) . . ?
OD1'_C V2B'_C OE2'_C 153.93(13) . . ?
OC4_C V2B'_C OE2'_C 82.20(12) . . ?
OG2'_C V2B'_C OA1'_C 171.39(15) . . ?
OC2'_C V2B'_C OA1'_C 80.40(12) . . ?
OD1'_C V2B'_C OA1'_C 81.63(12) . . ?
OC4_C V2B'_C OA1'_C 74.81(11) . . ?
OE2'_C V2B'_C OA1'_C 72.82(11) . . ?
OG2'_C V2B'_C V1A_C 131.24(13) . . ?
OC2'_C V2B'_C V1A_C 78.96(10) . . ?
OD1'_C V2B'_C V1A_C 123.66(10) . . ?
OC4_C V2B'_C V1A_C 81.06(9) . . ?
OE2'_C V2B'_C V1A_C 31.31(8) . . ?
OA1'_C V2B'_C V1A_C 42.05(7) . . ?
OG2'_C V2B'_C V2A'_C 136.94(13) . . ?
OC2'_C V2B'_C V2A'_C 83.43(10) . . ?
OD1'_C V2B'_C V2A'_C 32.01(10) . . ?
OC4_C V2B'_C V2A'_C 82.47(9) . . ?
OE2'_C V2B'_C V2A'_C 122.69(8) . . ?
OA1'_C V2B'_C V2A'_C 49.88(7) . . ?
V1A_C V2B'_C V2A'_C 91.75(3) . . ?
OG2'_C V2B'_C V3A'_C 137.02(13) . . ?
OC2'_C V2B'_C V3A'_C 32.48(10) . . ?
OD1'_C V2B'_C V3A'_C 82.66(10) . . ?
OC4_C V2B'_C V3A'_C 123.09(9) . . ?
OE2'_C V2B'_C V3A'_C 84.19(8) . . ?
OA1'_C V2B'_C V3A'_C 48.41(7) . . ?
V1A_C V2B'_C V3A'_C 60.78(2) . . ?
V2A'_C V2B'_C V3A'_C 60.21(2) . . ?
OG1'_C V2A'_C OD1'_C 103.97(16) . . ?
OG1'_C V2A'_C OC1'_C 102.45(16) . . ?
OD1'_C V2A'_C OC1'_C 92.83(14) . . ?
OG1'_C V2A'_C OC3_C 101.86(16) . . ?
OD1'_C V2A'_C OC3_C 90.31(14) . . ?
OC1'_C V2A'_C OC3_C 153.94(14) . . ?
OG1'_C V2A'_C OE1'_C 101.67(15) . . ?
OD1'_C V2A'_C OE1'_C 154.16(14) . . ?
OC1'_C V2A'_C OE1'_C 84.72(13) . . ?
OC3_C V2A'_C OE1'_C 81.31(13) . . ?
OG1'_C V2A'_C OA1'_C 174.52(15) . . ?
OD1'_C V2A'_C OA1'_C 81.14(12) . . ?
OC1'_C V2A'_C OA1'_C 79.03(12) . . ?
OC3_C V2A'_C OA1'_C 75.91(12) . . ?
OE1'_C V2A'_C OA1'_C 73.13(11) . . ?
OG1'_C V2A'_C V2B'_C 136.72(13) . . ?
OD1'_C V2A'_C V2B'_C 32.88(10) . . ?
OC1'_C V2A'_C V2B'_C 82.77(10) . . ?
OC3_C V2A'_C V2B'_C 85.98(9) . . ?
OE1'_C V2A'_C V2B'_C 121.62(9) . . ?
OA1'_C V2A'_C V2B'_C 48.53(7) . . ?
OG1'_C V2A'_C V1A'_C 131.93(13) . . ?
OD1'_C V2A'_C V1A'_C 124.06(11) . . ?
OC1'_C V2A'_C V1A'_C 78.94(10) . . ?
OC3_C V2A'_C V1A'_C 77.90(9) . . ?
OE1'_C V2A'_C V1A'_C 30.27(8) . . ?
OA1'_C V2A'_C V1A'_C 42.91(7) . . ?
V2B'_C V2A'_C V1A'_C 91.35(3) . . ?
OG1'_C V2A'_C V3A'_C 133.55(14) . . ?
OD1'_C V2A'_C V3A'_C 83.34(11) . . ?
OC1'_C V2A'_C V3A'_C 31.16(9) . . ?
OC3_C V2A'_C V3A'_C 124.17(9) . . ?
OE1'_C V2A'_C V3A'_C 81.37(9) . . ?
OA1'_C V2A'_C V3A'_C 48.28(7) . . ?
V2B'_C V2A'_C V3A'_C 60.25(2) . . ?
V1A'_C V2A'_C V3A'_C 61.53(2) . . ?
OG1'_C V2A'_C V3B_C 131.97(14) . . ?
OD1'_C V2A'_C V3B_C 82.59(11) . . ?
OC1'_C V2A'_C V3B_C 124.99(10) . . ?
OC3_C V2A'_C V3B_C 30.12(9) . . ?
OE1'_C V2A'_C V3B_C 77.93(9) . . ?
OA1'_C V2A'_C V3B_C 46.02(7) . . ?
V2B'_C V2A'_C V3B_C 64.34(2) . . ?
V1A'_C V2A'_C V3B_C 60.35(2) . . ?
V3A'_C V2A'_C V3B_C 94.26(3) . . ?
OE1'_C V1A'_C OE2_C 108.42(15) . . ?
OE1'_C V1A'_C OB1'_C 97.33(14) . . ?
OE2_C V1A'_C OB1'_C 96.96(14) . . ?
OE1'_C V1A'_C OB2_C 96.92(14) . . ?
OE2_C V1A'_C OB2_C 96.79(14) . . ?
OB1'_C V1A'_C OB2_C 155.94(12) . . ?
OE1'_C V1A'_C OA1'_C 87.86(13) . . ?
OE2_C V1A'_C OA1'_C 163.68(14) . . ?
OB1'_C V1A'_C OA1'_C 81.49(12) . . ?
OB2_C V1A'_C OA1'_C 79.77(12) . . ?
OE1'_C V1A'_C OA1_C 164.42(13) . . ?
OE2_C V1A'_C OA1_C 87.13(13) . . ?
OB1'_C V1A'_C OA1_C 81.29(12) . . ?
OB2_C V1A'_C OA1_C 79.78(12) . . ?
OA1'_C V1A'_C OA1_C 76.57(11) . . ?
OE1'_C V1A'_C V2A'_C 37.77(10) . . ?
OE2_C V1A'_C V2A'_C 146.15(11) . . ?
OB1'_C V1A'_C V2A'_C 88.45(10) . . ?
OB2_C V1A'_C V2A'_C 91.04(9) . . ?
OA1'_C V1A'_C V2A'_C 50.16(8) . . ?
OA1_C V1A'_C V2A'_C 126.71(8) . . ?
OE1'_C V1A'_C V2B_C 145.19(11) . . ?
OE2_C V1A'_C V2B_C 36.77(11) . . ?
OB1'_C V1A'_C V2B_C 89.02(10) . . ?
OB2_C V1A'_C V2B_C 90.26(9) . . ?
OA1'_C V1A'_C V2B_C 126.95(8) . . ?
OA1_C V1A'_C V2B_C 50.38(8) . . ?
V2A'_C V1A'_C V2B_C 176.47(4) . . ?
OG2_C V2B_C OD1_C 104.53(17) . . ?
OG2_C V2B_C OC4'_C 102.74(16) . . ?
OD1_C V2B_C OC4'_C 91.51(15) . . ?
OG2_C V2B_C OC2_C 102.46(16) . . ?
OD1_C V2B_C OC2_C 91.13(14) . . ?
OC4'_C V2B_C OC2_C 153.11(14) . . ?
OG2_C V2B_C OE2_C 102.67(16) . . ?
OD1_C V2B_C OE2_C 152.78(13) . . ?
OC4'_C V2B_C OE2_C 83.48(14) . . ?
OC2_C V2B_C OE2_C 82.01(13) . . ?
OG2_C V2B_C OA1_C 175.96(16) . . ?
OD1_C V2B_C OA1_C 79.28(12) . . ?
OC4'_C V2B_C OA1_C 78.29(11) . . ?
OC2_C V2B_C OA1_C 75.93(11) . . ?
OE2_C V2B_C OA1_C 73.50(11) . . ?
OG2_C V2B_C V2A_C 137.14(14) . . ?
OD1_C V2B_C V2A_C 32.72(10) . . ?
OC4'_C V2B_C V2A_C 81.91(9) . . ?
OC2_C V2B_C V2A_C 86.00(9) . . ?
OE2_C V2B_C V2A_C 120.15(9) . . ?
OA1_C V2B_C V2A_C 46.74(7) . . ?
OG2_C V2B_C V3B'_C 133.58(14) . . ?
OD1_C V2B_C V3B'_C 82.09(11) . . ?
OC4'_C V2B_C V3B'_C 30.89(9) . . ?
OC2_C V2B_C V3B'_C 123.55(9) . . ?
OE2_C V2B_C V3B'_C 79.97(9) . . ?
OA1_C V2B_C V3B'_C 47.68(7) . . ?
V2A_C V2B_C V3B'_C 59.49(2) . . ?
OG2_C V2B_C V1A'_C 132.67(14) . . ?
OD1_C V2B_C V1A'_C 122.80(10) . . ?
OC4'_C V2B_C V1A'_C 78.31(10) . . ?
OC2_C V2B_C V1A'_C 77.80(10) . . ?
OE2_C V2B_C V1A'_C 30.00(8) . . ?
OA1_C V2B_C V1A'_C 43.52(7) . . ?
V2A_C V2B_C V1A'_C 90.16(3) . . ?
V3B'_C V2B_C V1A'_C 60.82(2) . . ?
OG2_C V2B_C V3A_C 132.35(14) . . ?
OD1_C V2B_C V3A_C 82.62(10) . . ?
OC4'_C V2B_C V3A_C 124.39(10) . . ?
OC2_C V2B_C V3A_C 29.91(9) . . ?
OE2_C V2B_C V3A_C 78.36(9) . . ?
OA1_C V2B_C V3A_C 46.21(7) . . ?
V2A_C V2B_C V3A_C 64.04(2) . . ?
V3B'_C V2B_C V3A_C 93.89(3) . . ?
V1A'_C V2B_C V3A_C 60.39(2) . . ?
OF2'_C V3B'_C OC4'_C 102.81(16) . . ?
OF2'_C V3B'_C OC3'_C 104.06(16) . . ?
OC4'_C V3B'_C OC3'_C 94.67(14) . . ?
OF2'_C V3B'_C OB1'_C 100.14(16) . . ?
OC4'_C V3B'_C OB1'_C 92.83(14) . . ?
OC3'_C V3B'_C OB1'_C 152.34(13) . . ?
OF2'_C V3B'_C OB2'_C 101.05(15) . . ?
OC4'_C V3B'_C OB2'_C 155.08(14) . . ?
OC3'_C V3B'_C OB2'_C 86.41(13) . . ?
OB1'_C V3B'_C OB2'_C 75.91(12) . . ?
OF2'_C V3B'_C OA1_C 174.23(15) . . ?
OC4'_C V3B'_C OA1_C 82.08(12) . . ?
OC3'_C V3B'_C OA1_C 78.36(12) . . ?
OB1'_C V3B'_C OA1_C 76.37(11) . . ?
OB2'_C V3B'_C OA1_C 73.74(11) . . ?
OF2'_C V3B'_C V3A'_C 89.18(13) . . ?
OC4'_C V3B'_C V3A'_C 131.76(11) . . ?
OC3'_C V3B'_C V3A'_C 127.81(10) . . ?
OB1'_C V3B'_C V3A'_C 38.94(9) . . ?
OB2'_C V3B'_C V3A'_C 41.40(8) . . ?
OA1_C V3B'_C V3A'_C 85.24(8) . . ?
OF2'_C V3B'_C V2A_C 135.87(13) . . ?
OC4'_C V3B'_C V2A_C 83.29(11) . . ?
OC3'_C V3B'_C V2A_C 32.06(10) . . ?
OB1'_C V3B'_C V2A_C 123.42(9) . . ?
OB2'_C V3B'_C V2A_C 84.63(8) . . ?
OA1_C V3B'_C V2A_C 47.12(7) . . ?
V3A'_C V3B'_C V2A_C 119.36(3) . . ?
OF2'_C V3B'_C V2B_C 135.07(12) . . ?
OC4'_C V3B'_C V2B_C 32.36(10) . . ?
OC3'_C V3B'_C V2B_C 83.70(10) . . ?
OB1'_C V3B'_C V2B_C 88.60(9) . . ?
OB2'_C V3B'_C V2B_C 123.75(9) . . ?
OA1_C V3B'_C V2B_C 50.02(7) . . ?
V3A'_C V3B'_C V2B_C 121.11(3) . . ?
V2A_C V3B'_C V2B_C 59.78(2) . . ?
OF1'_C V3A'_C OC1'_C 104.07(16) . . ?
OF1'_C V3A'_C OC2'_C 103.39(16) . . ?
OC1'_C V3A'_C OC2'_C 92.61(14) . . ?
OF1'_C V3A'_C OB1'_C 101.87(15) . . ?
OC1'_C V3A'_C OB1'_C 91.46(13) . . ?
OC2'_C V3A'_C OB1'_C 152.58(13) . . ?
OF1'_C V3A'_C OB2'_C 100.45(15) . . ?
OC1'_C V3A'_C OB2'_C 154.39(14) . . ?
OC2'_C V3A'_C OB2'_C 88.80(13) . . ?
OB1'_C V3A'_C OB2'_C 76.25(12) . . ?
OF1'_C V3A'_C OA1'_C 173.96(15) . . ?
OC1'_C V3A'_C OA1'_C 81.26(12) . . ?
OC2'_C V3A'_C OA1'_C 78.94(12) . . ?
OB1'_C V3A'_C OA1'_C 74.91(11) . . ?
OB2'_C V3A'_C OA1'_C 73.91(11) . . ?
OF1'_C V3A'_C V3B'_C 89.93(13) . . ?
OC1'_C V3A'_C V3B'_C 129.95(10) . . ?
OC2'_C V3A'_C V3B'_C 131.00(10) . . ?
OB1'_C V3A'_C V3B'_C 38.49(9) . . ?
OB2'_C V3A'_C V3B'_C 42.21(8) . . ?
OA1'_C V3A'_C V3B'_C 84.41(7) . . ?
OF1'_C V3A'_C V2A'_C 136.04(13) . . ?
OC1'_C V3A'_C V2A'_C 32.16(10) . . ?
OC2'_C V3A'_C V2A'_C 81.78(10) . . ?
OB1'_C V3A'_C V2A'_C 87.43(9) . . ?
OB2'_C V3A'_C V2A'_C 123.43(9) . . ?
OA1'_C V3A'_C V2A'_C 49.52(7) . . ?
V3B'_C V3A'_C V2A'_C 119.80(3) . . ?
OF1'_C V3A'_C V2B'_C 134.43(13) . . ?
OC1'_C V3A'_C V2B'_C 82.88(10) . . ?
OC2'_C V3A'_C V2B'_C 31.10(10) . . ?
OB1'_C V3A'_C V2B'_C 123.19(9) . . ?
OB2'_C V3A'_C V2B'_C 85.27(8) . . ?
OA1'_C V3A'_C V2B'_C 48.31(7) . . ?
V3B'_C V3A'_C V2B'_C 120.24(3) . . ?
V2A'_C V3A'_C V2B'_C 59.54(2) . . ?
OF1_C V3A_C OC2_C 106.19(16) . . ?
OF1_C V3A_C OB2_C 102.19(16) . . ?
OC2_C V3A_C OB2_C 95.68(14) . . ?
OF1_C V3A_C OC1_C 100.89(16) . . ?
OC2_C V3A_C OC1_C 94.56(14) . . ?
OB2_C V3A_C OC1_C 150.96(13) . . ?
OF1_C V3A_C OB1_C 97.07(15) . . ?
OC2_C V3A_C OB1_C 156.38(14) . . ?
OB2_C V3A_C OB1_C 75.00(12) . . ?
OC1_C V3A_C OB1_C 84.91(12) . . ?
OF1_C V3A_C OA1_C 170.31(14) . . ?
OC2_C V3A_C OA1_C 83.46(13) . . ?
OB2_C V3A_C OA1_C 77.26(12) . . ?
OC1_C V3A_C OA1_C 77.02(12) . . ?
OB1_C V3A_C OA1_C 73.39(11) . . ?
OF1_C V3A_C V2B_C 139.43(12) . . ?
OC2_C V3A_C V2B_C 33.56(11) . . ?
OB2_C V3A_C V2B_C 90.49(9) . . ?
OC1_C V3A_C V2B_C 83.25(9) . . ?
OB1_C V3A_C V2B_C 123.49(9) . . ?
OA1_C V3A_C V2B_C 50.11(7) . . ?
OF2_C V3B_C OC3_C 105.71(17) . . ?
OF2_C V3B_C OB2_C 102.67(15) . . ?
OC3_C V3B_C OB2_C 96.38(13) . . ?
OF2_C V3B_C OC4_C 100.11(15) . . ?
OC3_C V3B_C OC4_C 93.85(14) . . ?
OB2_C V3B_C OC4_C 151.39(13) . . ?
OF2_C V3B_C OB1_C 97.18(15) . . ?
OC3_C V3B_C OB1_C 156.85(13) . . ?
OB2_C V3B_C OB1_C 74.90(12) . . ?
OC4_C V3B_C OB1_C 85.33(12) . . ?
OF2_C V3B_C OA1'_C 170.37(15) . . ?
OC3_C V3B_C OA1'_C 83.88(13) . . ?
OB2_C V3B_C OA1'_C 76.62(12) . . ?
OC4_C V3B_C OA1'_C 78.01(11) . . ?
OB1_C V3B_C OA1'_C 73.30(11) . . ?
OF2_C V3B_C V2A'_C 139.81(13) . . ?
OC3_C V3B_C V2A'_C 34.50(10) . . ?
OB2_C V3B_C V2A'_C 90.87(9) . . ?
OC4_C V3B_C V2A'_C 82.63(9) . . ?
OB1_C V3B_C V2A'_C 122.95(9) . . ?
OA1'_C V3B_C V2A'_C 49.65(7) . . ?
V1A_C OE1_C V2A_C 108.10(14) . . ?
V1A_C OE2'_C V2B'_C 110.34(14) . . ?
V2A'_C OD1'_C V2B'_C 115.12(17) . . ?
V1A'_C OE1'_C V2A'_C 111.95(15) . . ?
V1A'_C OE2_C V2B_C 113.23(15) . . ?
V2B_C OD1_C V2A_C 114.84(17) . . ?
V2A_C OC3'_C V3B'_C 114.00(17) . . ?
V1A_C OB2'_C V3A'_C 108.22(14) . . ?
V1A_C OB2'_C V3B'_C 107.71(14) . . ?
V3A'_C OB2'_C V3B'_C 96.38(12) . . ?
V2B'_C OC2'_C V3A'_C 116.41(17) . . ?
V3A'_C OC1'_C V2A'_C 116.68(16) . . ?
V1A'_C OB1'_C V3B'_C 108.80(15) . . ?
V1A'_C OB1'_C V3A'_C 109.29(14) . . ?
V3B'_C OB1'_C V3A'_C 102.57(13) . . ?
V3B'_C OC4'_C V2B_C 116.74(16) . . ?
V3A_C OC1_C V2A_C 112.26(15) . . ?
V1A_C OB1_C V3A_C 105.30(13) . . ?
V1A_C OB1_C V3B_C 105.19(13) . . ?
V3A_C OB1_C V3B_C 94.94(12) . . ?
V3B_C OC4_C V2B'_C 113.42(14) . . ?
V3B_C OC3_C V2A'_C 115.39(16) . . ?
V3A_C OB2_C V3B_C 108.34(14) . . ?
V3A_C OB2_C V1A'_C 107.55(15) . . ?
V3B_C OB2_C V1A'_C 107.06(14) . . ?
V3A_C OC2_C V2B_C 116.53(17) . . ?
V1A_C OA1_C V1A'_C 101.09(12) . . ?
V1A_C OA1_C V2A_C 89.73(10) . . ?
V1A'_C OA1_C V2A_C 167.64(14) . . ?
V1A_C OA1_C V3A_C 102.20(12) . . ?
V1A'_C OA1_C V3A_C 90.44(11) . . ?
V2A_C OA1_C V3A_C 93.11(11) . . ?
V1A_C OA1_C V3B'_C 91.59(11) . . ?
V1A'_C OA1_C V3B'_C 89.54(10) . . ?
V2A_C OA1_C V3B'_C 84.15(10) . . ?
V3A_C OA1_C V3B'_C 165.95(14) . . ?
V1A_C OA1_C V2B_C 170.57(15) . . ?
V1A'_C OA1_C V2B_C 86.09(10) . . ?
V2A_C OA1_C V2B_C 82.54(10) . . ?
V3A_C OA1_C V2B_C 83.69(10) . . ?
V3B'_C OA1_C V2B_C 82.30(9) . . ?
V1A_C OA1'_C V1A'_C 102.23(12) . . ?
V1A_C OA1'_C V3B_C 102.47(12) . . ?
V1A'_C OA1'_C V3B_C 91.32(11) . . ?
V1A_C OA1'_C V2B'_C 88.63(10) . . ?
V1A'_C OA1'_C V2B'_C 167.68(15) . . ?
V3B_C OA1'_C V2B'_C 91.98(10) . . ?
V1A_C OA1'_C V3A'_C 90.37(11) . . ?
V1A'_C OA1'_C V3A'_C 90.77(11) . . ?
V3B_C OA1'_C V3A'_C 166.23(14) . . ?
V2B'_C OA1'_C V3A'_C 83.28(10) . . ?
V1A_C OA1'_C V2A'_C 168.33(15) . . ?
V1A'_C OA1'_C V2A'_C 86.92(10) . . ?
V3B_C OA1'_C V2A'_C 84.33(10) . . ?
V2B'_C OA1'_C V2A'_C 81.59(9) . . ?
V3A'_C OA1'_C V2A'_C 82.20(9) . . ?
OG1'_D V2A'_D OD1'_D 104.02(16) . . ?
OG1'_D V2A'_D OC1'_D 102.66(16) . . ?
OD1'_D V2A'_D OC1'_D 92.84(14) . . ?
OG1'_D V2A'_D OC3_D 101.54(16) . . ?
OD1'_D V2A'_D OC3_D 90.61(14) . . ?
OC1'_D V2A'_D OC3_D 153.92(14) . . ?
OG1'_D V2A'_D OE1'_D 101.61(15) . . ?
OD1'_D V2A'_D OE1'_D 154.13(14) . . ?
OC1'_D V2A'_D OE1'_D 84.92(13) . . ?
OC3_D V2A'_D OE1'_D 80.83(13) . . ?
OG1'_D V2A'_D OA1'_D 174.31(15) . . ?
OD1'_D V2A'_D OA1'_D 81.21(12) . . ?
OC1'_D V2A'_D OA1'_D 79.09(12) . . ?
OC3_D V2A'_D OA1'_D 75.91(12) . . ?
OE1'_D V2A'_D OA1'_D 73.04(11) . . ?
OG1'_D V2A'_D V2B'_D 136.94(13) . . ?
OD1'_D V2A'_D V2B'_D 33.04(10) . . ?
OC1'_D V2A'_D V2B'_D 82.71(10) . . ?
OC3_D V2A'_D V2B'_D 86.25(9) . . ?
OE1'_D V2A'_D V2B'_D 121.45(9) . . ?
OA1'_D V2A'_D V2B'_D 48.44(7) . . ?
OG1'_D V2A'_D V1A'_D 131.83(13) . . ?
OD1'_D V2A'_D V1A'_D 124.10(10) . . ?
OC1'_D V2A'_D V1A'_D 79.03(10) . . ?
OC3_D V2A'_D V1A'_D 77.66(10) . . ?
OE1'_D V2A'_D V1A'_D 30.22(8) . . ?
OA1'_D V2A'_D V1A'_D 42.88(7) . . ?
V2B'_D V2A'_D V1A'_D 91.23(3) . . ?
OG1'_D V2A'_D V3B_D 133.73(13) . . ?
OD1'_D V2A'_D V3B_D 83.44(11) . . ?
OC1'_D V2A'_D V3B_D 31.12(9) . . ?
OC3_D V2A'_D V3B_D 124.25(10) . . ?
OE1'_D V2A'_D V3B_D 81.43(9) . . ?
OA1'_D V2A'_D V3B_D 48.37(7) . . ?
V2B'_D V2A'_D V3B_D 60.22(2) . . ?
V1A'_D V2A'_D V3B_D 61.56(2) . . ?
OE1'_D V1A'_D OE2_D 108.46(14) . . ?
OE1'_D V1A'_D OB1'_D 97.45(14) . . ?
OE2_D V1A'_D OB1'_D 96.84(14) . . ?
OE1'_D V1A'_D OB2_D 96.95(14) . . ?
OE2_D V1A'_D OB2_D 96.76(13) . . ?
OB1'_D V1A'_D OB2_D 155.92(12) . . ?
OE1'_D V1A'_D OA1'_D 87.64(13) . . ?
OE2_D V1A'_D OA1'_D 163.86(13) . . ?
OB1'_D V1A'_D OA1'_D 81.65(12) . . ?
OB2_D V1A'_D OA1'_D 79.77(12) . . ?
OE1'_D V1A'_D OA1_D 164.45(13) . . ?
OE2_D V1A'_D OA1_D 87.06(13) . . ?
OB1'_D V1A'_D OA1_D 81.18(12) . . ?
OB2_D V1A'_D OA1_D 79.78(12) . . ?
OA1'_D V1A'_D OA1_D 76.82(11) . . ?
OE1'_D V1A'_D V2A'_D 37.67(10) . . ?
OE2_D V1A'_D V2A'_D 146.07(11) . . ?
OB1'_D V1A'_D V2A'_D 88.53(9) . . ?
OB2_D V1A'_D V2A'_D 91.18(9) . . ?
OA1'_D V1A'_D V2A'_D 50.06(8) . . ?
OA1_D V1A'_D V2A'_D 126.85(8) . . ?
OE1'_D V1A'_D V2B_D 145.23(10) . . ?
OE2_D V1A'_D V2B_D 36.78(10) . . ?
OB1'_D V1A'_D V2B_D 88.86(9) . . ?
OB2_D V1A'_D V2B_D 90.23(9) . . ?
OA1'_D V1A'_D V2B_D 127.13(8) . . ?
OA1_D V1A'_D V2B_D 50.31(7) . . ?
V2A'_D V1A'_D V2B_D 176.47(3) . . ?
OG2_D V2B_D OD1_D 104.18(16) . . ?
OG2_D V2B_D OC4'_D 102.80(16) . . ?
OD1_D V2B_D OC4'_D 91.29(14) . . ?
OG2_D V2B_D OC2_D 102.29(16) . . ?
OD1_D V2B_D OC2_D 90.88(14) . . ?
OC4'_D V2B_D OC2_D 153.45(13) . . ?
OG2_D V2B_D OE2_D 102.96(15) . . ?
OD1_D V2B_D OE2_D 152.84(13) . . ?
OC4'_D V2B_D OE2_D 83.73(13) . . ?
OC2_D V2B_D OE2_D 82.34(13) . . ?
OG2_D V2B_D OA1_D 176.11(16) . . ?
OD1_D V2B_D OA1_D 79.39(12) . . ?
OC4'_D V2B_D OA1_D 78.48(11) . . ?
OC2_D V2B_D OA1_D 75.94(11) . . ?
OE2_D V2B_D OA1_D 73.45(10) . . ?
OG2_D V2B_D V2A_D 136.80(14) . . ?
OD1_D V2B_D V2A_D 32.72(9) . . ?
OC4'_D V2B_D V2A_D 81.78(9) . . ?
OC2_D V2B_D V2A_D 85.88(9) . . ?
OE2_D V2B_D V2A_D 120.21(8) . . ?
OA1_D V2B_D V2A_D 46.85(7) . . ?
OG2_D V2B_D V3B'_D 133.70(13) . . ?
OD1_D V2B_D V3B'_D 82.17(10) . . ?
OC4'_D V2B_D V3B'_D 30.95(9) . . ?
OC2_D V2B_D V3B'_D 123.67(9) . . ?
OE2_D V2B_D V3B'_D 79.92(9) . . ?
OA1_D V2B_D V3B'_D 47.78(7) . . ?
V2A_D V2B_D V3B'_D 59.54(2) . . ?
OG2_D V2B_D V3A_D 132.12(13) . . ?
OD1_D V2B_D V3A_D 82.62(10) . . ?
OC4'_D V2B_D V3A_D 124.64(9) . . ?
OC2_D V2B_D V3A_D 29.85(9) . . ?
OE2_D V2B_D V3A_D 78.46(8) . . ?
OA1_D V2B_D V3A_D 46.26(7) . . ?
V2A_D V2B_D V3A_D 64.13(2) . . ?
V3B'_D V2B_D V3A_D 94.03(3) . . ?
OG2_D V2B_D V1A'_D 132.94(14) . . ?
OD1_D V2B_D V1A'_D 122.88(10) . . ?
OC4'_D V2B_D V1A'_D 78.59(10) . . ?
OC2_D V2B_D V1A'_D 78.04(10) . . ?
OE2_D V2B_D V1A'_D 29.98(8) . . ?
OA1_D V2B_D V1A'_D 43.50(7) . . ?
V2A_D V2B_D V1A'_D 90.24(3) . . ?
V3B'_D V2B_D V1A'_D 60.84(2) . . ?
V3A_D V2B_D V1A'_D 60.50(2) . . ?
OG1_D V2A_D OC3'_D 104.05(16) . . ?
OG1_D V2A_D OD1_D 104.70(15) . . ?
OC3'_D V2A_D OD1_D 94.19(14) . . ?
OG1_D V2A_D OC1_D 97.61(15) . . ?
OC3'_D V2A_D OC1_D 157.21(14) . . ?
OD1_D V2A_D OC1_D 87.00(13) . . ?
OG1_D V2A_D OE1_D 97.87(14) . . ?
OC3'_D V2A_D OE1_D 88.29(13) . . ?
OD1_D V2A_D OE1_D 155.92(13) . . ?
OC1_D V2A_D OE1_D 81.75(12) . . ?
OG1_D V2A_D OA1_D 169.90(13) . . ?
OC3'_D V2A_D OA1_D 81.84(12) . . ?
OD1_D V2A_D OA1_D 82.77(12) . . ?
OC1_D V2A_D OA1_D 75.73(11) . . ?
OE1_D V2A_D OA1_D 73.87(11) . . ?
OG1_D V2A_D V1A_D 129.78(11) . . ?
OC3'_D V2A_D V1A_D 79.44(10) . . ?
OD1_D V2A_D V1A_D 125.22(10) . . ?
OC1_D V2A_D V1A_D 81.32(9) . . ?
OE1_D V2A_D V1A_D 31.97(8) . . ?
OA1_D V2A_D V1A_D 42.47(7) . . ?
OG1_D V2A_D V3B'_D 137.85(12) . . ?
OC3'_D V2A_D V3B'_D 33.86(10) . . ?
OD1_D V2A_D V3B'_D 82.99(10) . . ?
OC1_D V2A_D V3B'_D 124.38(9) . . ?
OE1_D V2A_D V3B'_D 85.91(8) . . ?
OA1_D V2A_D V3B'_D 48.79(8) . . ?
V1A_D V2A_D V3B'_D 61.84(2) . . ?
OG1_D V2A_D V2B_D 137.04(12) . . ?
OC3'_D V2A_D V2B_D 85.86(10) . . ?
OD1_D V2A_D V2B_D 32.34(10) . . ?
OC1_D V2A_D V2B_D 83.04(8) . . ?
OE1_D V2A_D V2B_D 124.46(8) . . ?
OA1_D V2A_D V2B_D 50.62(7) . . ?
V1A_D V2A_D V2B_D 92.96(3) . . ?
V3B'_D V2A_D V2B_D 60.75(2) . . ?
OE1_D V1A_D OE2'_D 105.27(13) . . ?
OE1_D V1A_D OB2'_D 101.16(14) . . ?
OE2'_D V1A_D OB2'_D 101.73(14) . . ?
OE1_D V1A_D OA1_D 86.70(12) . . ?
OE2'_D V1A_D OA1_D 164.41(13) . . ?
OB2'_D V1A_D OA1_D 85.32(12) . . ?
OE1_D V1A_D OA1'_D 164.21(13) . . ?
OE2'_D V1A_D OA1'_D 87.01(12) . . ?
OB2'_D V1A_D OA1'_D 85.63(12) . . ?
OA1_D V1A_D OA1'_D 79.61(11) . . ?
OE1_D V1A_D OB1_D 91.92(13) . . ?
OE2'_D V1A_D OB1_D 91.44(13) . . ?
OB2'_D V1A_D OB1_D 158.15(12) . . ?
OA1_D V1A_D OB1_D 77.98(11) . . ?
OA1'_D V1A_D OB1_D 77.65(11) . . ?
OE1_D V1A_D V2A_D 39.63(9) . . ?
OE2'_D V1A_D V2A_D 144.90(10) . . ?
OB2'_D V1A_D V2A_D 89.07(10) . . ?
OA1_D V1A_D V2A_D 47.80(8) . . ?
OA1'_D V1A_D V2A_D 127.41(8) . . ?
OB1_D V1A_D V2A_D 90.03(8) . . ?
OE1_D V1A_D V2B'_D 143.77(10) . . ?
OE2'_D V1A_D V2B'_D 38.50(10) . . ?
OB2'_D V1A_D V2B'_D 89.95(10) . . ?
OA1_D V1A_D V2B'_D 128.86(8) . . ?
OA1'_D V1A_D V2B'_D 49.25(8) . . ?
OB1_D V1A_D V2B'_D 89.68(8) . . ?
V2A_D V1A_D V2B'_D 176.60(3) . . ?
OG2'_D V2B'_D OC2'_D 104.91(16) . . ?
OG2'_D V2B'_D OD1'_D 104.95(16) . . ?
OC2'_D V2B'_D OD1'_D 92.83(15) . . ?
OG2'_D V2B'_D OC4_D 99.15(16) . . ?
OC2'_D V2B'_D OC4_D 155.18(13) . . ?
OD1'_D V2B'_D OC4_D 86.73(14) . . ?
OG2'_D V2B'_D OE2'_D 99.80(15) . . ?
OC2'_D V2B'_D OE2'_D 88.05(13) . . ?
OD1'_D V2B'_D OE2'_D 154.10(13) . . ?
OC4_D V2B'_D OE2'_D 81.88(12) . . ?
OG2'_D V2B'_D OA1'_D 171.21(15) . . ?
OC2'_D V2B'_D OA1'_D 80.43(12) . . ?
OD1'_D V2B'_D OA1'_D 81.48(12) . . ?
OC4_D V2B'_D OA1'_D 74.96(11) . . ?
OE2'_D V2B'_D OA1'_D 73.14(10) . . ?
OG2'_D V2B'_D V1A_D 131.17(13) . . ?
OC2'_D V2B'_D V1A_D 78.64(10) . . ?
OD1'_D V2B'_D V1A_D 123.70(10) . . ?
OC4_D V2B'_D V1A_D 81.01(9) . . ?
OE2'_D V2B'_D V1A_D 31.47(8) . . ?
OA1'_D V2B'_D V1A_D 42.24(7) . . ?
OG2'_D V2B'_D V2A'_D 136.89(13) . . ?
OC2'_D V2B'_D V2A'_D 83.65(10) . . ?
OD1'_D V2B'_D V2A'_D 31.94(10) . . ?
OC4_D V2B'_D V2A'_D 82.96(9) . . ?
OE2'_D V2B'_D V2A'_D 122.94(8) . . ?
OA1'_D V2B'_D V2A'_D 49.80(7) . . ?
V1A_D V2B'_D V2A'_D 91.85(3) . . ?
OG2'_D V2B'_D V3B_D 137.34(13) . . ?
OC2'_D V2B'_D V3B_D 32.46(9) . . ?
OD1'_D V2B'_D V3B_D 82.61(10) . . ?
OC4_D V2B'_D V3B_D 123.37(9) . . ?
OE2'_D V2B'_D V3B_D 84.39(8) . . ?
OA1'_D V2B'_D V3B_D 48.51(7) . . ?
V1A_D V2B'_D V3B_D 60.81(2) . . ?
V2A'_D V2B'_D V3B_D 60.20(2) . . ?
OF1_D V3A_D OC2_D 106.16(16) . . ?
OF1_D V3A_D OB2_D 102.43(15) . . ?
OC2_D V3A_D OB2_D 95.94(14) . . ?
OF1_D V3A_D OC1_D 100.58(15) . . ?
OC2_D V3A_D OC1_D 94.28(14) . . ?
OB2_D V3A_D OC1_D 151.05(13) . . ?
OF1_D V3A_D OB1_D 97.04(14) . . ?
OC2_D V3A_D OB1_D 156.46(13) . . ?
OB2_D V3A_D OB1_D 74.79(11) . . ?
OC1_D V3A_D OB1_D 85.20(11) . . ?
OF1_D V3A_D OA1_D 170.21(14) . . ?
OC2_D V3A_D OA1_D 83.56(13) . . ?
OB2_D V3A_D OA1_D 77.23(12) . . ?
OC1_D V3A_D OA1_D 77.12(12) . . ?
OB1_D V3A_D OA1_D 73.35(10) . . ?
OF1_D V3A_D V2B_D 139.54(12) . . ?
OC2_D V3A_D V2B_D 33.71(10) . . ?
OB2_D V3A_D V2B_D 90.50(9) . . ?
OC1_D V3A_D V2B_D 83.18(9) . . ?
OB1_D V3A_D V2B_D 123.40(8) . . ?
OA1_D V3A_D V2B_D 50.05(7) . . ?
OF1'_D V3B_D OC1'_D 104.61(16) . . ?
OF1'_D V3B_D OC2'_D 103.45(15) . . ?
OC1'_D V3B_D OC2'_D 92.93(14) . . ?
OF1'_D V3B_D OB1'_D 101.81(15) . . ?
OC1'_D V3B_D OB1'_D 91.60(13) . . ?
OC2'_D V3B_D OB1'_D 152.28(13) . . ?
OF1'_D V3B_D OB2'_D 99.89(15) . . ?
OC1'_D V3B_D OB2'_D 154.39(14) . . ?
OC2'_D V3B_D OB2'_D 88.52(13) . . ?
OB1'_D V3B_D OB2'_D 76.02(12) . . ?
OF1'_D V3B_D OA1'_D 173.60(15) . . ?
OC1'_D V3B_D OA1'_D 81.12(13) . . ?
OC2'_D V3B_D OA1'_D 78.84(12) . . ?
OB1'_D V3B_D OA1'_D 74.88(11) . . ?
OB2'_D V3B_D OA1'_D 74.08(11) . . ?
OF1'_D V3B_D V3B'_D 89.44(13) . . ?
OC1'_D V3B_D V3B'_D 129.95(10) . . ?
OC2'_D V3B_D V3B'_D 130.69(10) . . ?
OB1'_D V3B_D V3B'_D 38.36(9) . . ?
OB2'_D V3B_D V3B'_D 42.19(8) . . ?
OA1'_D V3B_D V3B'_D 84.61(7) . . ?
OF1'_D V3B_D V2A'_D 136.50(13) . . ?
OC1'_D V3B_D V2A'_D 32.08(10) . . ?
OC2'_D V3B_D V2A'_D 82.06(10) . . ?
OB1'_D V3B_D V2A'_D 87.47(9) . . ?
OB2'_D V3B_D V2A'_D 123.52(9) . . ?
OA1'_D V3B_D V2A'_D 49.45(7) . . ?
V3B'_D V3B_D V2A'_D 119.85(3) . . ?
OF1'_D V3B_D V2B'_D 134.51(12) . . ?
OC1'_D V3B_D V2B'_D 82.84(10) . . ?
OC2'_D V3B_D V2B'_D 31.12(10) . . ?
OB1'_D V3B_D V2B'_D 123.08(9) . . ?
OB2'_D V3B_D V2B'_D 85.35(8) . . ?
OA1'_D V3B_D V2B'_D 48.24(7) . . ?
V3B'_D V3B_D V2B'_D 120.32(3) . . ?
V2A'_D V3B_D V2B'_D 59.58(2) . . ?
OF2'_D V3B'_D OC4'_D 102.83(15) . . ?
OF2'_D V3B'_D OC3'_D 103.70(15) . . ?
OC4'_D V3B'_D OC3'_D 94.15(14) . . ?
OF2'_D V3B'_D OB1'_D 100.57(15) . . ?
OC4'_D V3B'_D OB1'_D 93.06(13) . . ?
OC3'_D V3B'_D OB1'_D 152.40(13) . . ?
OF2'_D V3B'_D OB2'_D 101.18(14) . . ?
OC4'_D V3B'_D OB2'_D 155.09(13) . . ?
OC3'_D V3B'_D OB2'_D 86.52(12) . . ?
OB1'_D V3B'_D OB2'_D 76.01(12) . . ?
OF2'_D V3B'_D OA1_D 174.32(14) . . ?
OC4'_D V3B'_D OA1_D 82.12(12) . . ?
OC3'_D V3B'_D OA1_D 78.49(12) . . ?
OB1'_D V3B'_D OA1_D 76.18(11) . . ?
OB2'_D V3B'_D OA1_D 73.60(11) . . ?
OF2'_D V3B'_D V3B_D 89.38(12) . . ?
OC4'_D V3B'_D V3B_D 132.10(11) . . ?
OC3'_D V3B'_D V3B_D 128.03(9) . . ?
OB1'_D V3B'_D V3B_D 39.04(9) . . ?
OB2'_D V3B'_D V3B_D 41.51(8) . . ?
OA1_D V3B'_D V3B_D 85.19(7) . . ?
OF2'_D V3B'_D V2A_D 135.59(12) . . ?
OC4'_D V3B'_D V2A_D 83.11(10) . . ?
OC3'_D V3B'_D V2A_D 32.10(9) . . ?
OB1'_D V3B'_D V2A_D 123.27(9) . . ?
OB2'_D V3B'_D V2A_D 84.43(8) . . ?
OA1_D V3B'_D V2A_D 47.15(7) . . ?
V3B_D V3B'_D V2A_D 119.30(3) . . ?
OF2'_D V3B'_D V2B_D 135.24(12) . . ?
OC4'_D V3B'_D V2B_D 32.51(10) . . ?
OC3'_D V3B'_D V2B_D 83.54(10) . . ?
OB1'_D V3B'_D V2B_D 88.43(9) . . ?
OB2'_D V3B'_D V2B_D 123.47(9) . . ?
OA1_D V3B'_D V2B_D 49.88(7) . . ?
V3B_D V3B'_D V2B_D 121.03(3) . . ?
V2A_D V3B'_D V2B_D 59.71(2) . . ?
OF2_D V3A'_D OC3_D 105.29(17) . . ?
OF2_D V3A'_D OB2_D 102.40(15) . . ?
OC3_D V3A'_D OB2_D 96.23(14) . . ?
OF2_D V3A'_D OC4_D 100.33(15) . . ?
OC3_D V3A'_D OC4_D 94.62(14) . . ?
OB2_D V3A'_D OC4_D 151.18(13) . . ?
OF2_D V3A'_D OB1_D 97.65(15) . . ?
OC3_D V3A'_D OB1_D 156.75(14) . . ?
OB2_D V3A'_D OB1_D 74.84(12) . . ?
OC4_D V3A'_D OB1_D 84.82(12) . . ?
OF2_D V3A'_D OA1'_D 170.84(15) . . ?
OC3_D V3A'_D OA1'_D 83.85(13) . . ?
OB2_D V3A'_D OA1'_D 76.73(11) . . ?
OC4_D V3A'_D OA1'_D 78.00(12) . . ?
OB1_D V3A'_D OA1'_D 73.27(11) . . ?
V1A'_D OE1'_D V2A'_D 112.11(15) . . ?
V1A'_D OE2_D V2B_D 113.25(15) . . ?
V2B_D OD1_D V2A_D 114.94(16) . . ?
V1A_D OE1_D V2A_D 108.40(13) . . ?
V1A_D OE2'_D V2B'_D 110.04(14) . . ?
V2A'_D OD1'_D V2B'_D 115.02(17) . . ?
V3A'_D OC3_D V2A'_D 115.06(16) . . ?
V3A'_D OB2_D V3A_D 108.57(14) . . ?
V3A'_D OB2_D V1A'_D 107.00(14) . . ?
V3A_D OB2_D V1A'_D 107.43(14) . . ?
V3A_D OC2_D V2B_D 116.44(16) . . ?
V3A_D OC1_D V2A_D 112.12(14) . . ?
V1A_D OB1_D V3A_D 105.33(12) . . ?
V1A_D OB1_D V3A'_D 105.32(12) . . ?
V3A_D OB1_D V3A'_D 94.96(11) . . ?
V3A'_D OC4_D V2B'_D 113.00(14) . . ?
V3B_D OC1'_D V2A'_D 116.81(17) . . ?
V1A'_D OB1'_D V3B'_D 109.20(15) . . ?
V1A'_D OB1'_D V3B_D 109.16(14) . . ?
V3B'_D OB1'_D V3B_D 102.60(13) . . ?
V3B'_D OC4'_D V2B_D 116.54(15) . . ?
V2A_D OC3'_D V3B'_D 114.05(16) . . ?
V1A_D OB2'_D V3B_D 108.05(14) . . ?
V1A_D OB2'_D V3B'_D 108.04(14) . . ?
V3B_D OB2'_D V3B'_D 96.30(12) . . ?
V2B'_D OC2'_D V3B_D 116.41(16) . . ?
V1A_D OA1'_D V1A'_D 102.04(12) . . ?
V1A_D OA1'_D V3A'_D 102.47(12) . . ?
V1A'_D OA1'_D V3A'_D 91.28(11) . . ?
V1A_D OA1'_D V2B'_D 88.50(10) . . ?
V1A'_D OA1'_D V2B'_D 167.93(15) . . ?
V3A'_D OA1'_D V2B'_D 92.15(10) . . ?
V1A_D OA1'_D V3B_D 90.13(11) . . ?
V1A'_D OA1'_D V3B_D 90.78(11) . . ?
V3A'_D OA1'_D V3B_D 166.50(14) . . ?
V2B'_D OA1'_D V3B_D 83.26(10) . . ?
V1A_D OA1'_D V2A'_D 168.22(15) . . ?
V1A'_D OA1'_D V2A'_D 87.06(10) . . ?
V3A'_D OA1'_D V2A'_D 84.60(10) . . ?
V2B'_D OA1'_D V2A'_D 81.76(9) . . ?
V3B_D OA1'_D V2A'_D 82.18(9) . . ?
V1A_D OA1_D V1A'_D 101.00(12) . . ?
V1A_D OA1_D V3A_D 102.18(12) . . ?
V1A'_D OA1_D V3A_D 90.62(11) . . ?
V1A_D OA1_D V2A_D 89.73(10) . . ?
V1A'_D OA1_D V2A_D 167.65(14) . . ?
V3A_D OA1_D V2A_D 93.09(11) . . ?
V1A_D OA1_D V3B'_D 91.54(11) . . ?
V1A'_D OA1_D V3B'_D 89.51(11) . . ?
V3A_D OA1_D V3B'_D 166.00(14) . . ?
V2A_D OA1_D V3B'_D 84.05(10) . . ?
V1A_D OA1_D V2B_D 170.56(15) . . ?
V1A'_D OA1_D V2B_D 86.19(9) . . ?
V3A_D OA1_D V2B_D 83.69(10) . . ?
V2A_D OA1_D V2B_D 82.52(9) . . ?
V3B'_D OA1_D V2B_D 82.34(9) . . ?
C6 N1 C16 111.6(3) . . ?
C6 N1 C1 111.0(4) . . ?
C16 N1 C1 107.1(3) . . ?
C6 N1 C11 105.8(3) . . ?
C16 N1 C11 110.5(4) . . ?
C1 N1 C11 110.9(3) . . ?
N1 C1 C2 117.6(4) . . ?
N1 C1 H1A 107.9 . . ?
C2 C1 H1A 107.9 . . ?
N1 C1 H1B 107.9 . . ?
C2 C1 H1B 107.9 . . ?
H1A C1 H1B 107.2 . . ?
C3 C2 C1 117.0(4) . . ?
C3 C2 H2A 108.0 . . ?
C1 C2 H2A 108.0 . . ?
C3 C2 H2B 108.0 . . ?
C1 C2 H2B 108.0 . . ?
H2A C2 H2B 107.3 . . ?
C4 C3 C2 112.0(4) . . ?
C4 C3 H3A 109.2 . . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C5 C4 C3 112.9(5) . . ?
C5 C4 H4A 109.0 . . ?
C3 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C3 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 N1 115.3(4) . . ?
C7 C6 H6A 108.5 . . ?
N1 C6 H6A 108.5 . . ?
C7 C6 H6B 108.5 . . ?
N1 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
C6 C7 C8 109.8(4) . . ?
C6 C7 H7A 109.7 . . ?
C8 C7 H7A 109.7 . . ?
C6 C7 H7B 109.7 . . ?
C8 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
C9 C8 C7 112.7(4) . . ?
C9 C8 H8A 109.1 . . ?
C7 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
C10B C9 C10A 112.4(9) . . ?
C10B C9 C8 118.8(8) . . ?
C10A C9 C8 112.4(6) . . ?
C10B C9 H9A 93.0 . . ?
C10A C9 H9A 109.1 . . ?
C8 C9 H9A 109.1 . . ?
C10B C9 H9B 15.2 . . ?
C10A C9 H9B 109.1 . . ?
C8 C9 H9B 109.1 . . ?
H9A C9 H9B 107.9 . . ?
C10B C9 H9C 107.6 . . ?
C10A C9 H9C 11.9 . . ?
C8 C9 H9C 107.6 . . ?
H9A C9 H9C 120.9 . . ?
H9B C9 H9C 101.6 . . ?
C10B C9 H9D 107.6 . . ?
C10A C9 H9D 95.1 . . ?
C8 C9 H9D 107.6 . . ?
H9A C9 H9D 16.9 . . ?
H9B C9 H9D 122.8 . . ?
H9C C9 H9D 107.1 . . ?
C9 C10A H10A 109.5 . . ?
C9 C10A H10B 109.5 . . ?
H10A C10A H10B 109.5 . . ?
C9 C10A H10C 109.5 . . ?
H10A C10A H10C 109.5 . . ?
H10B C10A H10C 109.5 . . ?
C9 C10B H10D 109.5 . . ?
C9 C10B H10E 109.5 . . ?
H10D C10B H10E 109.5 . . ?
C9 C10B H10F 109.5 . . ?
H10D C10B H10F 109.5 . . ?
H10E C10B H10F 109.5 . . ?
C12 C11 N1 115.8(4) . . ?
C12 C11 H11A 108.3 . . ?
N1 C11 H11A 108.3 . . ?
C12 C11 H11B 108.3 . . ?
N1 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C11 C12 C13 110.3(5) . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
C13 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C12 C13 C14 112.9(5) . . ?
C12 C13 H13A 109.0 . . ?
C14 C13 H13A 109.0 . . ?
C12 C13 H13B 109.0 . . ?
C14 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C15 C14 C13 113.1(7) . . ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 C16 C17 114.0(4) . . ?
N1 C16 H16A 108.8 . . ?
C17 C16 H16A 108.8 . . ?
N1 C16 H16B 108.8 . . ?
C17 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
C16 C17 C18 112.1(4) . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17B 109.2 . . ?
C18 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C19 C18 C17 112.9(4) . . ?
C19 C18 H18A 109.0 . . ?
C17 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C18 C19 C20 113.6(5) . . ?
C18 C19 H19A 108.8 . . ?
C20 C19 H19A 108.8 . . ?
C18 C19 H19B 108.8 . . ?
C20 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C36 N2 C21 108.4(3) . . ?
C36 N2 C26 111.7(3) . . ?
C21 N2 C26 107.5(3) . . ?
C36 N2 C31 112.7(3) . . ?
C21 N2 C31 111.7(3) . . ?
C26 N2 C31 104.8(3) . . ?
N2 C21 C22 117.6(4) . . ?
N2 C21 H21A 107.9 . . ?
C22 C21 H21A 107.9 . . ?
N2 C21 H21B 107.9 . . ?
C22 C21 H21B 107.9 . . ?
H21A C21 H21B 107.2 . . ?
C23 C22 C21 109.0(4) . . ?
C23 C22 H22A 109.9 . . ?
C21 C22 H22A 109.9 . . ?
C23 C22 H22B 109.9 . . ?
C21 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C22 C23 C24 113.8(4) . . ?
C22 C23 H23A 108.8 . . ?
C24 C23 H23A 108.8 . . ?
C22 C23 H23B 108.8 . . ?
C24 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C25 C24 C23 114.1(5) . . ?
C25 C24 H24A 108.7 . . ?
C23 C24 H24A 108.7 . . ?
C25 C24 H24B 108.7 . . ?
C23 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 N2 115.9(4) . . ?
C27 C26 H26A 108.3 . . ?
N2 C26 H26A 108.3 . . ?
C27 C26 H26B 108.3 . . ?
N2 C26 H26B 108.3 . . ?
H26A C26 H26B 107.4 . . ?
C28 C27 C26 108.5(4) . . ?
C28 C27 H27A 110.0 . . ?
C26 C27 H27A 110.0 . . ?
C28 C27 H27B 110.0 . . ?
C26 C27 H27B 110.0 . . ?
H27A C27 H27B 108.4 . . ?
C27 C28 C29 112.7(4) . . ?
C27 C28 H28A 109.1 . . ?
C29 C28 H28A 109.1 . . ?
C27 C28 H28B 109.1 . . ?
C29 C28 H28B 109.1 . . ?
H28A C28 H28B 107.8 . . ?
C30 C29 C28 113.9(5) . . ?
C30 C29 H29A 108.8 . . ?
C28 C29 H29A 108.8 . . ?
C30 C29 H29B 108.8 . . ?
C28 C29 H29B 108.8 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 N2 117.4(4) . . ?
C32 C31 H31A 108.0 . . ?
N2 C31 H31A 108.0 . . ?
C32 C31 H31B 108.0 . . ?
N2 C31 H31B 108.0 . . ?
H31A C31 H31B 107.2 . . ?
C31 C32 C33 108.8(4) . . ?
C31 C32 H32A 109.9 . . ?
C33 C32 H32A 109.9 . . ?
C31 C32 H32B 109.9 . . ?
C33 C32 H32B 109.9 . . ?
H32A C32 H32B 108.3 . . ?
C32 C33 C34 112.6(4) . . ?
C32 C33 H33A 109.1 . . ?
C34 C33 H33A 109.1 . . ?
C32 C33 H33B 109.1 . . ?
C34 C33 H33B 109.1 . . ?
H33A C33 H33B 107.8 . . ?
C35 C34 C33 115.3(5) . . ?
C35 C34 H34A 108.5 . . ?
C33 C34 H34A 108.5 . . ?
C35 C34 H34B 108.5 . . ?
C33 C34 H34B 108.5 . . ?
H34A C34 H34B 107.5 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N2 C36 C37 116.8(4) . . ?
N2 C36 H36A 108.1 . . ?
C37 C36 H36A 108.1 . . ?
N2 C36 H36B 108.1 . . ?
C37 C36 H36B 108.1 . . ?
H36A C36 H36B 107.3 . . ?
C36 C37 C38 109.0(4) . . ?
C36 C37 H37A 109.9 . . ?
C38 C37 H37A 109.9 . . ?
C36 C37 H37B 109.9 . . ?
C38 C37 H37B 109.9 . . ?
H37A C37 H37B 108.3 . . ?
C39 C38 C37 115.8(5) . . ?
C39 C38 H38A 108.3 . . ?
C37 C38 H38A 108.3 . . ?
C39 C38 H38B 108.3 . . ?
C37 C38 H38B 108.3 . . ?
H38A C38 H38B 107.4 . . ?
C40B C39 C38 113.6(11) . . ?
C40B C39 C40A 26.7(12) . . ?
C38 C39 C40A 116.5(6) . . ?
C40B C39 H39A 85.2 . . ?
C38 C39 H39A 108.2 . . ?
C40A C39 H39A 108.2 . . ?
C40B C39 H39B 129.8 . . ?
C38 C39 H39B 108.2 . . ?
C40A C39 H39B 108.2 . . ?
H39A C39 H39B 107.3 . . ?
C40B C39 H39C 108.9 . . ?
C38 C39 H39C 108.9 . . ?
C40A C39 H39C 83.5 . . ?
H39A C39 H39C 130.1 . . ?
H39B C39 H39C 28.3 . . ?
C40B C39 H39D 108.9 . . ?
C38 C39 H39D 108.9 . . ?
C40A C39 H39D 126.5 . . ?
H39A C39 H39D 27.2 . . ?
H39B C39 H39D 81.7 . . ?
H39C C39 H39D 107.7 . . ?
C39 C40A H40A 109.5 . . ?
C39 C40A H40B 109.5 . . ?
H40A C40A H40B 109.5 . . ?
C39 C40A H40C 109.5 . . ?
H40A C40A H40C 109.5 . . ?
H40B C40A H40C 109.5 . . ?
C39 C40B H40D 109.5 . . ?
C39 C40B H40E 109.5 . . ?
H40D C40B H40E 109.5 . . ?
C39 C40B H40F 109.5 . . ?
H40D C40B H40F 109.5 . . ?
H40E C40B H40F 109.5 . . ?
C51 N3 C56 111.8(3) . . ?
C51 N3 C41 108.0(4) . . ?
C56 N3 C41 107.2(3) . . ?
C51 N3 C46 112.6(3) . . ?
C56 N3 C46 105.1(4) . . ?
C41 N3 C46 112.0(3) . . ?
C42 C41 N3 117.5(4) . . ?
C42 C41 H41A 107.9 . . ?
N3 C41 H41A 107.9 . . ?
C42 C41 H41B 107.9 . . ?
N3 C41 H41B 107.9 . . ?
H41A C41 H41B 107.2 . . ?
C41 C42 C43 109.3(4) . . ?
C41 C42 H42A 109.8 . . ?
C43 C42 H42A 109.8 . . ?
C41 C42 H42B 109.8 . . ?
C43 C42 H42B 109.8 . . ?
H42A C42 H42B 108.3 . . ?
C44 C43 C42 113.6(4) . . ?
C44 C43 H43A 108.8 . . ?
C42 C43 H43A 108.8 . . ?
C44 C43 H43B 108.8 . . ?
C42 C43 H43B 108.8 . . ?
H43A C43 H43B 107.7 . . ?
C45 C44 C43 114.4(5) . . ?
C45 C44 H44A 108.7 . . ?
C43 C44 H44A 108.7 . . ?
C45 C44 H44B 108.7 . . ?
C43 C44 H44B 108.7 . . ?
H44A C44 H44B 107.6 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 N3 117.0(4) . . ?
C47 C46 H46A 108.1 . . ?
N3 C46 H46A 108.1 . . ?
C47 C46 H46B 108.1 . . ?
N3 C46 H46B 108.1 . . ?
H46A C46 H46B 107.3 . . ?
C46 C47 C48 109.3(4) . . ?
C46 C47 H47A 109.8 . . ?
C48 C47 H47A 109.8 . . ?
C46 C47 H47B 109.8 . . ?
C48 C47 H47B 109.8 . . ?
H47A C47 H47B 108.3 . . ?
C49B C48 C47 114.2(9) . . ?
C49B C48 C49A 25.9(7) . . ?
C47 C48 C49A 112.4(5) . . ?
C49B C48 H48A 127.4 . . ?
C47 C48 H48A 109.1 . . ?
C49A C48 H48A 109.1 . . ?
C49B C48 H48B 84.9 . . ?
C47 C48 H48B 109.1 . . ?
C49A C48 H48B 109.1 . . ?
H48A C48 H48B 107.9 . . ?
C49B C48 H48C 108.7 . . ?
C47 C48 H48C 108.7 . . ?
C49A C48 H48C 129.4 . . ?
H48A C48 H48C 83.1 . . ?
H48B C48 H48C 27.0 . . ?
C49B C48 H48D 108.7 . . ?
C47 C48 H48D 108.7 . . ?
C49A C48 H48D 86.0 . . ?
H48A C48 H48D 26.3 . . ?
H48B C48 H48D 129.2 . . ?
H48C C48 H48D 107.6 . . ?
C50A C49A C48 113.1(7) . . ?
C50A C49A H49A 109.0 . . ?
C48 C49A H49A 109.0 . . ?
C50A C49A H49B 109.0 . . ?
C48 C49A H49B 109.0 . . ?
H49A C49A H49B 107.8 . . ?
C49A C50A H50A 109.5 . . ?
C49A C50A H50B 109.5 . . ?
H50A C50A H50B 109.5 . . ?
C49A C50A H50C 109.5 . . ?
H50A C50A H50C 109.5 . . ?
H50B C50A H50C 109.5 . . ?
C48 C49B C50B 111.2(17) . . ?
C48 C49B H49C 109.4 . . ?
C50B C49B H49C 109.4 . . ?
C48 C49B H49D 109.4 . . ?
C50B C49B H49D 109.4 . . ?
H49C C49B H49D 108.0 . . ?
C49B C50B H50D 109.5 . . ?
C49B C50B H50E 109.5 . . ?
H50D C50B H50E 109.5 . . ?
C49B C50B H50F 109.5 . . ?
H50D C50B H50F 109.5 . . ?
H50E C50B H50F 109.5 . . ?
C52 C51 N3 116.4(4) . . ?
C52 C51 H51A 108.2 . . ?
N3 C51 H51A 108.2 . . ?
C52 C51 H51B 108.2 . . ?
N3 C51 H51B 108.2 . . ?
H51A C51 H51B 107.3 . . ?
C51 C52 C53 109.4(4) . . ?
C51 C52 H52A 109.8 . . ?
C53 C52 H52A 109.8 . . ?
C51 C52 H52B 109.8 . . ?
C53 C52 H52B 109.8 . . ?
H52A C52 H52B 108.2 . . ?
C54 C53 C52 116.3(5) . . ?
C54 C53 H53A 108.2 . . ?
C52 C53 H53A 108.2 . . ?
C54 C53 H53B 108.2 . . ?
C52 C53 H53B 108.2 . . ?
H53A C53 H53B 107.4 . . ?
C55A C54 C53 119.5(7) . . ?
C55A C54 C55B 25.2(7) . . ?
C53 C54 C55B 112.1(8) . . ?
C55A C54 H54A 107.5 . . ?
C53 C54 H54A 107.5 . . ?
C55B C54 H54A 88.6 . . ?
C55A C54 H54B 107.5 . . ?
C53 C54 H54B 107.5 . . ?
C55B C54 H54B 130.4 . . ?
H54A C54 H54B 107.0 . . ?
C55A C54 H54C 84.3 . . ?
C53 C54 H54C 109.2 . . ?
C55B C54 H54C 109.2 . . ?
H54A C54 H54C 128.4 . . ?
H54B C54 H54C 26.9 . . ?
C55A C54 H54D 122.4 . . ?
C53 C54 H54D 109.2 . . ?
C55B C54 H54D 109.2 . . ?
H54A C54 H54D 24.1 . . ?
H54B C54 H54D 83.9 . . ?
H54C C54 H54D 107.9 . . ?
C54 C55A H55A 109.5 . . ?
C54 C55A H55B 109.5 . . ?
H55A C55A H55B 109.5 . . ?
C54 C55A H55C 109.5 . . ?
H55A C55A H55C 109.5 . . ?
H55B C55A H55C 109.5 . . ?
C54 C55B H55D 109.5 . . ?
C54 C55B H55E 109.5 . . ?
H55D C55B H55E 109.5 . . ?
C54 C55B H55F 109.5 . . ?
H55D C55B H55F 109.5 . . ?
H55E C55B H55F 109.5 . . ?
C57 C56 N3 116.8(4) . . ?
C57 C56 H56A 108.1 . . ?
N3 C56 H56A 108.1 . . ?
C57 C56 H56B 108.1 . . ?
N3 C56 H56B 108.1 . . ?
H56A C56 H56B 107.3 . . ?
C58 C57 C56 109.3(4) . . ?
C58 C57 H57A 109.8 . . ?
C56 C57 H57A 109.8 . . ?
C58 C57 H57B 109.8 . . ?
C56 C57 H57B 109.8 . . ?
H57A C57 H57B 108.3 . . ?
C57 C58 C59 113.4(4) . . ?
C57 C58 H58A 108.9 . . ?
C59 C58 H58A 108.9 . . ?
C57 C58 H58B 108.9 . . ?
C59 C58 H58B 108.9 . . ?
H58A C58 H58B 107.7 . . ?
C60 C59 C58 113.5(5) . . ?
C60 C59 H59A 108.9 . . ?
C58 C59 H59A 108.9 . . ?
C60 C59 H59B 108.9 . . ?
C58 C59 H59B 108.9 . . ?
H59A C59 H59B 107.7 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C76 N4 C61 110.4(4) . . ?
C76 N4 C71 110.0(4) . . ?
C61 N4 C71 108.0(3) . . ?
C76 N4 C66 107.4(3) . . ?
C61 N4 C66 110.9(4) . . ?
C71 N4 C66 110.2(4) . . ?
C62 C61 N4 114.8(4) . . ?
C62 C61 H61A 108.6 . . ?
N4 C61 H61A 108.6 . . ?
C62 C61 H61B 108.6 . . ?
N4 C61 H61B 108.6 . . ?
H61A C61 H61B 107.5 . . ?
C61 C62 C63 110.4(4) . . ?
C61 C62 H62A 109.6 . . ?
C63 C62 H62A 109.6 . . ?
C61 C62 H62B 109.6 . . ?
C63 C62 H62B 109.6 . . ?
H62A C62 H62B 108.1 . . ?
C62 C63 C64 114.0(5) . . ?
C62 C63 H63A 108.8 . . ?
C64 C63 H63A 108.8 . . ?
C62 C63 H63B 108.8 . . ?
C64 C63 H63B 108.8 . . ?
H63A C63 H63B 107.6 . . ?
C65 C64 C63 112.7(5) . . ?
C65 C64 H64A 109.0 . . ?
C63 C64 H64A 109.0 . . ?
C65 C64 H64B 109.0 . . ?
C63 C64 H64B 109.0 . . ?
H64A C64 H64B 107.8 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C67 C66 N4 114.3(4) . . ?
C67 C66 H66A 108.7 . . ?
N4 C66 H66A 108.7 . . ?
C67 C66 H66B 108.7 . . ?
N4 C66 H66B 108.7 . . ?
H66A C66 H66B 107.6 . . ?
C68 C67 C66 112.3(5) . . ?
C68 C67 H67A 109.1 . . ?
C66 C67 H67A 109.1 . . ?
C68 C67 H67B 109.1 . . ?
C66 C67 H67B 109.1 . . ?
H67A C67 H67B 107.9 . . ?
C67 C68 C69 113.2(6) . . ?
C67 C68 H68A 108.9 . . ?
C69 C68 H68A 108.9 . . ?
C67 C68 H68B 108.9 . . ?
C69 C68 H68B 108.9 . . ?
H68A C68 H68B 107.8 . . ?
C70A C69 C70B 101.7(13) . . ?
C70A C69 C68 115.5(12) . . ?
C70B C69 C68 116.9(10) . . ?
C70A C69 H69A 108.4 . . ?
C70B C69 H69A 105.1 . . ?
C68 C69 H69A 108.4 . . ?
C70A C69 H69B 108.4 . . ?
C70B C69 H69B 8.7 . . ?
C68 C69 H69B 108.4 . . ?
H69A C69 H69B 107.5 . . ?
C70A C69 H69C 7.8 . . ?
C70B C69 H69C 108.1 . . ?
C68 C69 H69C 108.1 . . ?
H69A C69 H69C 110.2 . . ?
H69B C69 H69C 114.2 . . ?
C70A C69 H69D 105.8 . . ?
C70B C69 H69D 108.1 . . ?
C68 C69 H69D 108.1 . . ?
H69A C69 H69D 3.4 . . ?
H69B C69 H69D 110.6 . . ?
H69C C69 H69D 107.3 . . ?
C69 C70A H70A 109.5 . . ?
C69 C70A H70B 109.5 . . ?
H70A C70A H70B 109.5 . . ?
C69 C70A H70C 109.5 . . ?
H70A C70A H70C 109.5 . . ?
H70B C70A H70C 109.5 . . ?
C69 C70B H70D 109.5 . . ?
C69 C70B H70E 109.5 . . ?
H70D C70B H70E 109.5 . . ?
C69 C70B H70F 109.5 . . ?
H70D C70B H70F 109.5 . . ?
H70E C70B H70F 109.5 . . ?
C72A C71 N4 113.9(5) . . ?
C72A C71 C72B 16.1(6) . . ?
N4 C71 C72B 117.0(6) . . ?
C72A C71 H71A 108.8 . . ?
N4 C71 H71A 108.8 . . ?
C72B C71 H71A 119.4 . . ?
C72A C71 H71B 108.8 . . ?
N4 C71 H71B 108.8 . . ?
C72B C71 H71B 93.4 . . ?
H71A C71 H71B 107.7 . . ?
C72A C71 H71C 122.4 . . ?
N4 C71 H71C 108.1 . . ?
C72B C71 H71C 108.1 . . ?
H71A C71 H71C 92.3 . . ?
H71B C71 H71C 17.2 . . ?
C72A C71 H71D 95.4 . . ?
N4 C71 H71D 108.1 . . ?
C72B C71 H71D 108.1 . . ?
H71A C71 H71D 16.0 . . ?
H71B C71 H71D 121.6 . . ?
H71C C71 H71D 107.3 . . ?
C71 C72A C73A 107.6(7) . . ?
C71 C72A H72A 110.2 . . ?
C73A C72A H72A 110.2 . . ?
C71 C72A H72B 110.2 . . ?
C73A C72A H72B 110.2 . . ?
H72A C72A H72B 108.5 . . ?
C72A C73A C74 112.2(7) . . ?
C72A C73A H73A 109.2 . . ?
C74 C73A H73A 109.2 . . ?
C72A C73A H73B 109.2 . . ?
C74 C73A H73B 109.2 . . ?
H73A C73A H73B 107.9 . . ?
C73B C72B C71 114.4(10) . . ?
C73B C72B H72C 108.7 . . ?
C71 C72B H72C 108.7 . . ?
C73B C72B H72D 108.7 . . ?
C71 C72B H72D 108.7 . . ?
H72C C72B H72D 107.6 . . ?
C74 C73B C72B 110.2(10) . . ?
C74 C73B H73C 109.6 . . ?
C72B C73B H73C 109.6 . . ?
C74 C73B H73D 109.6 . . ?
C72B C73B H73D 109.6 . . ?
H73C C73B H73D 108.1 . . ?
C73B C74 C75 110.5(8) . . ?
C73B C74 C73A 19.0(8) . . ?
C75 C74 C73A 114.5(6) . . ?
C73B C74 H74A 93.7 . . ?
C75 C74 H74A 108.6 . . ?
C73A C74 H74A 108.6 . . ?
C73B C74 H74B 125.8 . . ?
C75 C74 H74B 108.6 . . ?
C73A C74 H74B 108.6 . . ?
H74A C74 H74B 107.6 . . ?
C73B C74 H74C 109.5 . . ?
C75 C74 H74C 109.5 . . ?
C73A C74 H74C 91.2 . . ?
H74A C74 H74C 123.6 . . ?
H74B C74 H74C 19.8 . . ?
C73B C74 H74D 109.5 . . ?
C75 C74 H74D 109.5 . . ?
C73A C74 H74D 121.8 . . ?
H74A C74 H74D 18.2 . . ?
H74B C74 H74D 90.5 . . ?
H74C C74 H74D 108.1 . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C77 C76 N4 113.5(4) . . ?
C77 C76 H76A 108.9 . . ?
N4 C76 H76A 108.9 . . ?
C77 C76 H76B 108.9 . . ?
N4 C76 H76B 108.9 . . ?
H76A C76 H76B 107.7 . . ?
C76 C77 C78 111.1(4) . . ?
C76 C77 H77A 109.4 . . ?
C78 C77 H77A 109.4 . . ?
C76 C77 H77B 109.4 . . ?
C78 C77 H77B 109.4 . . ?
H77A C77 H77B 108.0 . . ?
C79 C78 C77 114.4(4) . . ?
C79 C78 H78A 108.7 . . ?
C77 C78 H78A 108.7 . . ?
C79 C78 H78B 108.7 . . ?
C77 C78 H78B 108.7 . . ?
H78A C78 H78B 107.6 . . ?
C78 C79 C80 113.8(5) . . ?
C78 C79 H79A 108.8 . . ?
C80 C79 H79A 108.8 . . ?
C78 C79 H79B 108.8 . . ?
C80 C79 H79B 108.8 . . ?
H79A C79 H79B 107.7 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C86 N5 C96 111.4(4) . . ?
C86 N5 C91 110.9(4) . . ?
C96 N5 C91 106.4(4) . . ?
C86 N5 C81 106.3(4) . . ?
C96 N5 C81 111.0(4) . . ?
C91 N5 C81 110.9(4) . . ?
C82 C81 N5 117.2(4) . . ?
C82 C81 H81A 108.0 . . ?
N5 C81 H81A 108.0 . . ?
C82 C81 H81B 108.0 . . ?
N5 C81 H81B 108.0 . . ?
H81A C81 H81B 107.3 . . ?
C81 C82 C83 116.4(4) . . ?
C81 C82 H82A 108.2 . . ?
C83 C82 H82A 108.2 . . ?
C81 C82 H82B 108.2 . . ?
C83 C82 H82B 108.2 . . ?
H82A C82 H82B 107.3 . . ?
C84 C83 C82 111.9(4) . . ?
C84 C83 H83A 109.2 . . ?
C82 C83 H83A 109.2 . . ?
C84 C83 H83B 109.2 . . ?
C82 C83 H83B 109.2 . . ?
H83A C83 H83B 107.9 . . ?
C85 C84 C83 112.2(5) . . ?
C85 C84 H84A 109.2 . . ?
C83 C84 H84A 109.2 . . ?
C85 C84 H84B 109.2 . . ?
C83 C84 H84B 109.2 . . ?
H84A C84 H84B 107.9 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
N5 C86 C87 114.5(4) . . ?
N5 C86 H86A 108.6 . . ?
C87 C86 H86A 108.6 . . ?
N5 C86 H86B 108.6 . . ?
C87 C86 H86B 108.6 . . ?
H86A C86 H86B 107.6 . . ?
C88 C87 C86 113.3(5) . . ?
C88 C87 H87A 108.9 . . ?
C86 C87 H87A 108.9 . . ?
C88 C87 H87B 108.9 . . ?
C86 C87 H87B 108.9 . . ?
H87A C87 H87B 107.7 . . ?
C87 C88 C89 113.2(5) . . ?
C87 C88 H88A 108.9 . . ?
C89 C88 H88A 108.9 . . ?
C87 C88 H88B 108.9 . . ?
C89 C88 H88B 108.9 . . ?
H88A C88 H88B 107.8 . . ?
C90 C89 C88 114.1(5) . . ?
C90 C89 H89A 108.7 . . ?
C88 C89 H89A 108.7 . . ?
C90 C89 H89B 108.7 . . ?
C88 C89 H89B 108.7 . . ?
H89A C89 H89B 107.6 . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C92 C91 N5 116.8(4) . . ?
C92 C91 H91A 108.1 . . ?
N5 C91 H91A 108.1 . . ?
C92 C91 H91B 108.1 . . ?
N5 C91 H91B 108.1 . . ?
H91A C91 H91B 107.3 . . ?
C91 C92 C93 110.5(5) . . ?
C91 C92 H92A 109.6 . . ?
C93 C92 H92A 109.6 . . ?
C91 C92 H92B 109.6 . . ?
C93 C92 H92B 109.6 . . ?
H92A C92 H92B 108.1 . . ?
C94 C93 C92 115.1(7) . . ?
C94 C93 H93A 108.5 . . ?
C92 C93 H93A 108.5 . . ?
C94 C93 H93B 108.5 . . ?
C92 C93 H93B 108.5 . . ?
H93A C93 H93B 107.5 . . ?
C95B C94 C95A 94.9(17) . . ?
C95B C94 C93 117.9(16) . . ?
C95A C94 C93 118.7(11) . . ?
C95B C94 H94A 13.1 . . ?
C95A C94 H94A 107.6 . . ?
C93 C94 H94A 107.6 . . ?
C95B C94 H94B 109.2 . . ?
C95A C94 H94B 107.6 . . ?
C93 C94 H94B 107.6 . . ?
H94A C94 H94B 107.1 . . ?
C95B C94 H94C 107.8 . . ?
C95A C94 H94C 108.8 . . ?
C93 C94 H94C 107.8 . . ?
H94A C94 H94C 105.5 . . ?
H94B C94 H94C 1.7 . . ?
C95B C94 H94D 107.8 . . ?
C95A C94 H94D 13.5 . . ?
C93 C94 H94D 107.8 . . ?
H94A C94 H94D 120.3 . . ?
H94B C94 H94D 105.8 . . ?
H94C C94 H94D 107.2 . . ?
C94 C95A H95A 109.5 . . ?
C94 C95A H95B 109.5 . . ?
H95A C95A H95B 109.5 . . ?
C94 C95A H95C 109.5 . . ?
H95A C95A H95C 109.5 . . ?
H95B C95A H95C 109.5 . . ?
C94 C95B H95D 109.5 . . ?
C94 C95B H95E 109.5 . . ?
H95D C95B H95E 109.5 . . ?
C94 C95B H95F 109.5 . . ?
H95D C95B H95F 109.5 . . ?
H95E C95B H95F 109.5 . . ?
N5 C96 C97 115.8(4) . . ?
N5 C96 H96A 108.3 . . ?
C97 C96 H96A 108.3 . . ?
N5 C96 H96B 108.3 . . ?
C97 C96 H96B 108.3 . . ?
H96A C96 H96B 107.4 . . ?
C98 C97 C96 108.9(4) . . ?
C98 C97 H97A 109.9 . . ?
C96 C97 H97A 109.9 . . ?
C98 C97 H97B 109.9 . . ?
C96 C97 H97B 109.9 . . ?
H97A C97 H97B 108.3 . . ?
C97 C98 C99 113.5(5) . . ?
C97 C98 H98A 108.9 . . ?
C99 C98 H98A 108.9 . . ?
C97 C98 H98B 108.9 . . ?
C99 C98 H98B 108.9 . . ?
H98A C98 H98B 107.7 . . ?
C100 C99 C98 113.9(6) . . ?
C100 C99 H99A 108.8 . . ?
C98 C99 H99A 108.8 . . ?
C100 C99 H99B 108.8 . . ?
C98 C99 H99B 108.8 . . ?
H99A C99 H99B 107.7 . . ?
C99 C100 H100A 109.5 . . ?
C99 C100 H100B 109.5 . . ?
H100A C100 H100B 109.5 . . ?
C99 C100 H100C 109.5 . . ?
H100A C100 H100C 109.5 . . ?
H100B C100 H100C 109.5 . . ?
C106 N6 C101 111.2(4) . . ?
C106 N6 C116 106.0(3) . . ?
C101 N6 C116 111.1(4) . . ?
C106 N6 C111 112.0(4) . . ?
C101 N6 C111 105.9(3) . . ?
C116 N6 C111 110.6(4) . . ?
C102 C101 N6 116.6(4) . . ?
C102 C101 H101A 108.2 . . ?
N6 C101 H101A 108.2 . . ?
C102 C101 H101B 108.2 . . ?
N6 C101 H101B 108.2 . . ?
H101A C101 H101B 107.3 . . ?
C101 C102 C103 110.8(4) . . ?
C101 C102 H102A 109.5 . . ?
C103 C102 H102A 109.5 . . ?
C101 C102 H102B 109.5 . . ?
C103 C102 H102B 109.5 . . ?
H102A C102 H102B 108.1 . . ?
C104 C103 C102 116.2(5) . . ?
C104 C103 H103A 108.2 . . ?
C102 C103 H103A 108.2 . . ?
C104 C103 H103B 108.2 . . ?
C102 C103 H103B 108.2 . . ?
H103A C103 H103B 107.4 . . ?
C105 C104 C103 115.4(5) . . ?
C105 C104 H104A 108.4 . . ?
C103 C104 H104A 108.4 . . ?
C105 C104 H104B 108.4 . . ?
C103 C104 H104B 108.4 . . ?
H104A C104 H104B 107.5 . . ?
C104 C105 H105A 109.5 . . ?
C104 C105 H105B 109.5 . . ?
H105A C105 H105B 109.5 . . ?
C104 C105 H105C 109.5 . . ?
H105A C105 H105C 109.5 . . ?
H105B C105 H105C 109.5 . . ?
C107 C106 N6 115.0(4) . . ?
C107 C106 H106A 108.5 . . ?
N6 C106 H106A 108.5 . . ?
C107 C106 H106B 108.5 . . ?
N6 C106 H106B 108.5 . . ?
H106A C106 H106B 107.5 . . ?
C106 C107 C108 111.1(4) . . ?
C106 C107 H107A 109.4 . . ?
C108 C107 H107A 109.4 . . ?
C106 C107 H107B 109.4 . . ?
C108 C107 H107B 109.4 . . ?
H107A C107 H107B 108.0 . . ?
C109 C108 C107 112.6(5) . . ?
C109 C108 H108A 109.1 . . ?
C107 C108 H108A 109.1 . . ?
C109 C108 H108B 109.1 . . ?
C107 C108 H108B 109.1 . . ?
H108A C108 H108B 107.8 . . ?
C110 C109 C108 114.0(6) . . ?
C110 C109 H109A 108.7 . . ?
C108 C109 H109A 108.7 . . ?
C110 C109 H109B 108.7 . . ?
C108 C109 H109B 108.7 . . ?
H109A C109 H109B 107.6 . . ?
C109 C110 H110A 109.5 . . ?
C109 C110 H110B 109.5 . . ?
H110A C110 H110B 109.5 . . ?
C109 C110 H110C 109.5 . . ?
H110A C110 H110C 109.5 . . ?
H110B C110 H110C 109.5 . . ?
C112 C111 N6 115.1(4) . . ?
C112 C111 H111A 108.5 . . ?
N6 C111 H111A 108.5 . . ?
C112 C111 H111B 108.5 . . ?
N6 C111 H111B 108.5 . . ?
H111A C111 H111B 107.5 . . ?
C111 C112 C113 111.0(4) . . ?
C111 C112 H112A 109.4 . . ?
C113 C112 H112A 109.4 . . ?
C111 C112 H112B 109.4 . . ?
C113 C112 H112B 109.4 . . ?
H112A C112 H112B 108.0 . . ?
C114 C113 C112 113.7(4) . . ?
C114 C113 H113A 108.8 . . ?
C112 C113 H113A 108.8 . . ?
C114 C113 H113B 108.8 . . ?
C112 C113 H113B 108.8 . . ?
H113A C113 H113B 107.7 . . ?
C115 C114 C113 113.2(4) . . ?
C115 C114 H114A 108.9 . . ?
C113 C114 H114A 108.9 . . ?
C115 C114 H114B 108.9 . . ?
C113 C114 H114B 108.9 . . ?
H114A C114 H114B 107.7 . . ?
C114 C115 H115A 109.5 . . ?
C114 C115 H115B 109.5 . . ?
H115A C115 H115B 109.5 . . ?
C114 C115 H115C 109.5 . . ?
H115A C115 H115C 109.5 . . ?
H115B C115 H115C 109.5 . . ?
C117 C116 N6 116.6(4) . . ?
C117 C116 H116A 108.1 . . ?
N6 C116 H116A 108.1 . . ?
C117 C116 H116B 108.1 . . ?
N6 C116 H116B 108.1 . . ?
H116A C116 H116B 107.3 . . ?
C116 C117 C118 109.6(4) . . ?
C116 C117 H117A 109.8 . . ?
C118 C117 H117A 109.8 . . ?
C116 C117 H117B 109.8 . . ?
C118 C117 H117B 109.8 . . ?
H117A C117 H117B 108.2 . . ?
C119B C118 C119A 70.6(11) . . ?
C119B C118 C117 110.6(11) . . ?
C119A C118 C117 115.6(6) . . ?
C119B C118 H118A 41.5 . . ?
C119A C118 H118A 108.4 . . ?
C117 C118 H118A 108.4 . . ?
C119B C118 H118B 136.5 . . ?
C119A C118 H118B 108.4 . . ?
C117 C118 H118B 108.4 . . ?
H118A C118 H118B 107.4 . . ?
C119B C118 H118C 109.5 . . ?
C119A C118 H118C 131.4 . . ?
C117 C118 H118C 109.5 . . ?
H118A C118 H118C 71.9 . . ?
H118B C118 H118C 37.4 . . ?
C119B C118 H118D 109.5 . . ?
C119A C118 H118D 40.1 . . ?
C117 C118 H118D 109.5 . . ?
H118A C118 H118D 139.3 . . ?
H118B C118 H118D 73.8 . . ?
H118C C118 H118D 108.1 . . ?
C118 C119A C120A 114.8(8) . . ?
C118 C119A H119A 108.6 . . ?
C120A C119A H119A 108.6 . . ?
C118 C119A H119B 108.6 . . ?
C120A C119A H119B 108.6 . . ?
H119A C119A H119B 107.5 . . ?
C119A C120A H120A 109.5 . . ?
C119A C120A H120B 109.5 . . ?
H120A C120A H120B 109.5 . . ?
C119A C120A H120C 109.5 . . ?
H120A C120A H120C 109.5 . . ?
H120B C120A H120C 109.5 . . ?
C118 C119B C120B 108(2) . . ?
C118 C119B H119C 110.2 . . ?
C120B C119B H119C 110.2 . . ?
C118 C119B H119D 110.2 . . ?
C120B C119B H119D 110.2 . . ?
H119C C119B H119D 108.5 . . ?
C119B C120B H120D 109.5 . . ?
C119B C120B H120E 109.5 . . ?
H120D C120B H120E 109.5 . . ?
C119B C120B H120F 109.5 . . ?
H120D C120B H120F 109.5 . . ?
H120E C120B H120F 109.5 . . ?
C131 N7 C121 112.5(4) . . ?
C131 N7 C126 106.7(4) . . ?
C121 N7 C126 112.0(4) . . ?
C131 N7 C136 111.6(5) . . ?
C121 N7 C136 104.4(4) . . ?
C126 N7 C136 109.7(5) . . ?
C122 C121 N7 116.6(5) . . ?
C122 C121 H121A 108.1 . . ?
N7 C121 H121A 108.1 . . ?
C122 C121 H121B 108.1 . . ?
N7 C121 H121B 108.1 . . ?
H121A C121 H121B 107.3 . . ?
C121 C122 C123 109.9(5) . . ?
C121 C122 H122A 109.7 . . ?
C123 C122 H122A 109.7 . . ?
C121 C122 H122B 109.7 . . ?
C123 C122 H122B 109.7 . . ?
H122A C122 H122B 108.2 . . ?
C124 C123 C122 113.6(5) . . ?
C124 C123 H123A 108.8 . . ?
C122 C123 H123A 108.8 . . ?
C124 C123 H123B 108.8 . . ?
C122 C123 H123B 108.8 . . ?
H123A C123 H123B 107.7 . . ?
C125 C124 C123 115.2(8) . . ?
C125 C124 H124A 108.5 . . ?
C123 C124 H124A 108.5 . . ?
C125 C124 H124B 108.5 . . ?
C123 C124 H124B 108.5 . . ?
H124A C124 H124B 107.5 . . ?
C124 C125 H125A 109.5 . . ?
C124 C125 H125B 109.5 . . ?
H125A C125 H125B 109.5 . . ?
C124 C125 H125C 109.5 . . ?
H125A C125 H125C 109.5 . . ?
H125B C125 H125C 109.5 . . ?
C127 C126 N7 116.0(5) . . ?
C127 C126 H126A 108.3 . . ?
N7 C126 H126A 108.3 . . ?
C127 C126 H126B 108.3 . . ?
N7 C126 H126B 108.3 . . ?
H126A C126 H126B 107.4 . . ?
C128 C127 C126 109.6(7) . . ?
C128 C127 H127A 109.8 . . ?
C126 C127 H127A 109.8 . . ?
C128 C127 H127B 109.8 . . ?
C126 C127 H127B 109.8 . . ?
H127A C127 H127B 108.2 . . ?
C127 C128 C129 114.7(8) . . ?
C127 C128 H128A 108.6 . . ?
C129 C128 H128A 108.6 . . ?
C127 C128 H128B 108.6 . . ?
C129 C128 H128B 108.6 . . ?
H128A C128 H128B 107.6 . . ?
C130 C129 C128 115.3(11) . . ?
C130 C129 H129A 108.4 . . ?
C128 C129 H129A 108.4 . . ?
C130 C129 H129B 108.4 . . ?
C128 C129 H129B 108.4 . . ?
H129A C129 H129B 107.5 . . ?
C129 C130 H130A 109.5 . . ?
C129 C130 H130B 109.5 . . ?
H130A C130 H130B 109.5 . . ?
C129 C130 H130C 109.5 . . ?
H130A C130 H130C 109.5 . . ?
H130B C130 H130C 109.5 . . ?
C132 C131 N7 115.8(5) . . ?
C132 C131 H131A 108.3 . . ?
N7 C131 H131A 108.3 . . ?
C132 C131 H131B 108.3 . . ?
N7 C131 H131B 108.3 . . ?
H131A C131 H131B 107.4 . . ?
C133 C132 C131 108.3(6) . . ?
C133 C132 H132A 110.0 . . ?
C131 C132 H132A 110.0 . . ?
C133 C132 H132B 110.0 . . ?
C131 C132 H132B 110.0 . . ?
H132A C132 H132B 108.4 . . ?
C132 C133 C134 116.0(7) . . ?
C132 C133 H133A 108.3 . . ?
C134 C133 H133A 108.3 . . ?
C132 C133 H133B 108.3 . . ?
C134 C133 H133B 108.3 . . ?
H133A C133 H133B 107.4 . . ?
C135 C134 C133 116.2(7) . . ?
C135 C134 H134A 108.2 . . ?
C133 C134 H134A 108.2 . . ?
C135 C134 H134B 108.2 . . ?
C133 C134 H134B 108.2 . . ?
H134A C134 H134B 107.4 . . ?
C134 C135 H135A 109.5 . . ?
C134 C135 H135B 109.5 . . ?
H135A C135 H135B 109.5 . . ?
C134 C135 H135C 109.5 . . ?
H135A C135 H135C 109.5 . . ?
H135B C135 H135C 109.5 . . ?
C137 C136 N7 113.7(5) . . ?
C137 C136 H136A 108.8 . . ?
N7 C136 H136A 108.8 . . ?
C137 C136 H136B 108.8 . . ?
N7 C136 H136B 108.8 . . ?
H136A C136 H136B 107.7 . . ?
C136 C137 C138 111.1(6) . . ?
C136 C137 H137A 109.4 . . ?
C138 C137 H137A 109.4 . . ?
C136 C137 H137B 109.4 . . ?
C138 C137 H137B 109.4 . . ?
H137A C137 H137B 108.0 . . ?
C139 C138 C137 114.7(7) . . ?
C139 C138 H138A 108.6 . . ?
C137 C138 H138A 108.6 . . ?
C139 C138 H138B 108.6 . . ?
C137 C138 H138B 108.6 . . ?
H138A C138 H138B 107.6 . . ?
C138 C139 C140 114.6(8) . . ?
C138 C139 H139A 108.6 . . ?
C140 C139 H139A 108.6 . . ?
C138 C139 H139B 108.6 . . ?
C140 C139 H139B 108.6 . . ?
H139A C139 H139B 107.6 . . ?
C139 C140 H140A 109.5 . . ?
C139 C140 H140B 109.5 . . ?
H140A C140 H140B 109.5 . . ?
C139 C140 H140C 109.5 . . ?
H140A C140 H140C 109.5 . . ?
H140B C140 H140C 109.5 . . ?
C156 N8 C141 110.7(4) . . ?
C156 N8 C151 110.9(4) . . ?
C141 N8 C151 107.7(4) . . ?
C156 N8 C146 107.1(4) . . ?
C141 N8 C146 110.4(4) . . ?
C151 N8 C146 110.0(4) . . ?
C142 C141 N8 115.2(4) . . ?
C142 C141 H141A 108.5 . . ?
N8 C141 H141A 108.5 . . ?
C142 C141 H141B 108.5 . . ?
N8 C141 H141B 108.5 . . ?
H141A C141 H141B 107.5 . . ?
C141 C142 C143 110.3(5) . . ?
C141 C142 H142A 109.6 . . ?
C143 C142 H142A 109.6 . . ?
C141 C142 H142B 109.6 . . ?
C143 C142 H142B 109.6 . . ?
H142A C142 H142B 108.1 . . ?
C142 C143 C144 114.7(5) . . ?
C142 C143 H143A 108.6 . . ?
C144 C143 H143A 108.6 . . ?
C142 C143 H143B 108.6 . . ?
C144 C143 H143B 108.6 . . ?
H143A C143 H143B 107.6 . . ?
C145 C144 C143 113.2(6) . . ?
C145 C144 H144A 108.9 . . ?
C143 C144 H144A 108.9 . . ?
C145 C144 H144B 108.9 . . ?
C143 C144 H144B 108.9 . . ?
H144A C144 H144B 107.8 . . ?
C144 C145 H145A 109.5 . . ?
C144 C145 H145B 109.5 . . ?
H145A C145 H145B 109.5 . . ?
C144 C145 H145C 109.5 . . ?
H145A C145 H145C 109.5 . . ?
H145B C145 H145C 109.5 . . ?
C147 C146 N8 113.3(4) . . ?
C147 C146 H146A 108.9 . . ?
N8 C146 H146A 108.9 . . ?
C147 C146 H146B 108.9 . . ?
N8 C146 H146B 108.9 . . ?
H146A C146 H146B 107.7 . . ?
C148 C147 C146 110.5(4) . . ?
C148 C147 H147A 109.5 . . ?
C146 C147 H147A 109.5 . . ?
C148 C147 H147B 109.5 . . ?
C146 C147 H147B 109.5 . . ?
H147A C147 H147B 108.1 . . ?
C149 C148 C147 113.6(5) . . ?
C149 C148 H148A 108.8 . . ?
C147 C148 H148A 108.8 . . ?
C149 C148 H148B 108.8 . . ?
C147 C148 H148B 108.8 . . ?
H148A C148 H148B 107.7 . . ?
C148 C149 C150 114.0(6) . . ?
C148 C149 H149A 108.8 . . ?
C150 C149 H149A 108.8 . . ?
C148 C149 H149B 108.8 . . ?
C150 C149 H149B 108.8 . . ?
H149A C149 H149B 107.6 . . ?
C149 C150 H150A 109.5 . . ?
C149 C150 H150B 109.5 . . ?
H150A C150 H150B 109.5 . . ?
C149 C150 H150C 109.5 . . ?
H150A C150 H150C 109.5 . . ?
H150B C150 H150C 109.5 . . ?
C152 C151 N8 115.5(5) . . ?
C152 C151 H151A 108.4 . . ?
N8 C151 H151A 108.4 . . ?
C152 C151 H151B 108.4 . . ?
N8 C151 H151B 108.4 . . ?
H151A C151 H151B 107.5 . . ?
C151 C152 C153 110.2(5) . . ?
C151 C152 H152A 109.6 . . ?
C153 C152 H152A 109.6 . . ?
C151 C152 H152B 109.6 . . ?
C153 C152 H152B 109.6 . . ?
H152A C152 H152B 108.1 . . ?
C152 C153 C154 112.8(6) . . ?
C152 C153 H153A 109.0 . . ?
C154 C153 H153A 109.0 . . ?
C152 C153 H153B 109.0 . . ?
C154 C153 H153B 109.0 . . ?
H153A C153 H153B 107.8 . . ?
C155 C154 C153 112.8(6) . . ?
C155 C154 H154A 109.0 . . ?
C153 C154 H154A 109.0 . . ?
C155 C154 H154B 109.0 . . ?
C153 C154 H154B 109.0 . . ?
H154A C154 H154B 107.8 . . ?
C154 C155 H155A 109.5 . . ?
C154 C155 H155B 109.5 . . ?
H155A C155 H155B 109.5 . . ?
C154 C155 H155C 109.5 . . ?
H155A C155 H155C 109.5 . . ?
H155B C155 H155C 109.5 . . ?
N8 C156 C157 114.6(5) . . ?
N8 C156 H156A 108.6 . . ?
C157 C156 H156A 108.6 . . ?
N8 C156 H156B 108.6 . . ?
C157 C156 H156B 108.6 . . ?
H156A C156 H156B 107.6 . . ?
C158 C157 C156 111.4(5) . . ?
C158 C157 H157A 109.4 . . ?
C156 C157 H157A 109.4 . . ?
C158 C157 H157B 109.4 . . ?
C156 C157 H157B 109.4 . . ?
H157A C157 H157B 108.0 . . ?
C157 C158 C159 114.9(6) . . ?
C157 C158 H158A 108.5 . . ?
C159 C158 H158A 108.5 . . ?
C157 C158 H158B 108.5 . . ?
C159 C158 H158B 108.5 . . ?
H158A C158 H158B 107.5 . . ?
C160B C159 C158 121.2(13) . . ?
C160B C159 C160A 33.4(11) . . ?
C158 C159 C160A 101.7(10) . . ?
C160B C159 H159A 119.2 . . ?
C158 C159 H159A 111.4 . . ?
C160A C159 H159A 111.4 . . ?
C160B C159 H159B 78.6 . . ?
C158 C159 H159B 111.4 . . ?
C160A C159 H159B 111.4 . . ?
H159A C159 H159B 109.3 . . ?
C160B C159 H159C 107.0 . . ?
C158 C159 H159C 107.0 . . ?
C160A C159 H159C 140.4 . . ?
H159A C159 H159C 82.8 . . ?
H159B C159 H159C 31.9 . . ?
C160B C159 H159D 107.0 . . ?
C158 C159 H159D 107.0 . . ?
C160A C159 H159D 89.8 . . ?
H159A C159 H159D 24.3 . . ?
H159B C159 H159D 130.2 . . ?
H159C C159 H159D 106.8 . . ?
C159 C160A H160A 109.5 . . ?
C159 C160A H160B 109.5 . . ?
H160A C160A H160B 109.5 . . ?
C159 C160A H160C 109.5 . . ?
H160A C160A H160C 109.5 . . ?
H160B C160A H160C 109.5 . . ?
C159 C160B H160D 109.5 . . ?
C159 C160B H160E 109.5 . . ?
H160D C160B H160E 109.5 . . ?
C159 C160B H160F 109.5 . . ?
H160D C160B H160F 109.5 . . ?
H160E C160B H160F 109.5 . . ?
C176 N9 C166 106.3(4) . . ?
C176 N9 C161 111.6(4) . . ?
C166 N9 C161 111.0(4) . . ?
C176 N9 C171 110.3(4) . . ?
C166 N9 C171 112.0(4) . . ?
C161 N9 C171 105.7(3) . . ?
C162 C161 N9 115.9(4) . . ?
C162 C161 H161A 108.3 . . ?
N9 C161 H161A 108.3 . . ?
C162 C161 H161B 108.3 . . ?
N9 C161 H161B 108.3 . . ?
H161A C161 H161B 107.4 . . ?
C161 C162 C163 111.2(4) . . ?
C161 C162 H162A 109.4 . . ?
C163 C162 H162A 109.4 . . ?
C161 C162 H162B 109.4 . . ?
C163 C162 H162B 109.4 . . ?
H162A C162 H162B 108.0 . . ?
C164 C163 C162 113.7(4) . . ?
C164 C163 H163A 108.8 . . ?
C162 C163 H163A 108.8 . . ?
C164 C163 H163B 108.8 . . ?
C162 C163 H163B 108.8 . . ?
H163A C163 H163B 107.7 . . ?
C165 C164 C163 113.5(4) . . ?
C165 C164 H164A 108.9 . . ?
C163 C164 H164A 108.9 . . ?
C165 C164 H164B 108.9 . . ?
C163 C164 H164B 108.9 . . ?
H164A C164 H164B 107.7 . . ?
C164 C165 H165A 109.5 . . ?
C164 C165 H165B 109.5 . . ?
H165A C165 H165B 109.5 . . ?
C164 C165 H165C 109.5 . . ?
H165A C165 H165C 109.5 . . ?
H165B C165 H165C 109.5 . . ?
C167 C166 N9 116.5(4) . . ?
C167 C166 H166A 108.2 . . ?
N9 C166 H166A 108.2 . . ?
C167 C166 H166B 108.2 . . ?
N9 C166 H166B 108.2 . . ?
H166A C166 H166B 107.3 . . ?
C168 C167 C166 109.7(5) . . ?
C168 C167 H167A 109.7 . . ?
C166 C167 H167A 109.7 . . ?
C168 C167 H167B 109.7 . . ?
C166 C167 H167B 109.7 . . ?
H167A C167 H167B 108.2 . . ?
C169 C168 C167 114.3(6) . . ?
C169 C168 H168A 108.7 . . ?
C167 C168 H168A 108.7 . . ?
C169 C168 H168B 108.7 . . ?
C167 C168 H168B 108.7 . . ?
H168A C168 H168B 107.6 . . ?
C168 C169 C170 112.0(8) . . ?
C168 C169 H169A 109.2 . . ?
C170 C169 H169A 109.2 . . ?
C168 C169 H169B 109.2 . . ?
C170 C169 H169B 109.2 . . ?
H169A C169 H169B 107.9 . . ?
C169 C170 H170A 109.5 . . ?
C169 C170 H170B 109.5 . . ?
H170A C170 H170B 109.5 . . ?
C169 C170 H170C 109.5 . . ?
H170A C170 H170C 109.5 . . ?
H170B C170 H170C 109.5 . . ?
C172 C171 N9 115.7(4) . . ?
C172 C171 H171A 108.4 . . ?
N9 C171 H171A 108.4 . . ?
C172 C171 H171B 108.4 . . ?
N9 C171 H171B 108.4 . . ?
H171A C171 H171B 107.4 . . ?
C171 C172 C173 110.2(4) . . ?
C171 C172 H172A 109.6 . . ?
C173 C172 H172A 109.6 . . ?
C171 C172 H172B 109.6 . . ?
C173 C172 H172B 109.6 . . ?
H172A C172 H172B 108.1 . . ?
C174 C173 C172 116.4(4) . . ?
C174 C173 H173A 108.2 . . ?
C172 C173 H173A 108.2 . . ?
C174 C173 H173B 108.2 . . ?
C172 C173 H173B 108.2 . . ?
H173A C173 H173B 107.3 . . ?
C175 C174 C173 113.7(5) . . ?
C175 C174 H174A 108.8 . . ?
C173 C174 H174A 108.8 . . ?
C175 C174 H174B 108.8 . . ?
C173 C174 H174B 108.8 . . ?
H174A C174 H174B 107.7 . . ?
C174 C175 H175A 109.5 . . ?
C174 C175 H175B 109.5 . . ?
H175A C175 H175B 109.5 . . ?
C174 C175 H175C 109.5 . . ?
H175A C175 H175C 109.5 . . ?
H175B C175 H175C 109.5 . . ?
C177 C176 N9 116.3(4) . . ?
C177 C176 H176A 108.2 . . ?
N9 C176 H176A 108.2 . . ?
C177 C176 H176B 108.2 . . ?
N9 C176 H176B 108.2 . . ?
H176A C176 H176B 107.4 . . ?
C176 C177 C178A 107.7(5) . . ?
C176 C177 C178B 127.1(9) . . ?
C178A C177 C178B 23.9(8) . . ?
C176 C177 H177A 110.2 . . ?
C178A C177 H177A 110.2 . . ?
C178B C177 H177A 88.6 . . ?
C176 C177 H177B 110.2 . . ?
C178A C177 H177B 110.2 . . ?
C178B C177 H177B 109.4 . . ?
H177A C177 H177B 108.5 . . ?
C176 C177 H177C 105.5 . . ?
C178A C177 H177C 128.4 . . ?
C178B C177 H177C 105.5 . . ?
H177A C177 H177C 19.3 . . ?
H177B C177 H177C 93.6 . . ?
C176 C177 H177D 105.5 . . ?
C178A C177 H177D 101.7 . . ?
C178B C177 H177D 105.5 . . ?
H177A C177 H177D 120.7 . . ?
H177B C177 H177D 12.5 . . ?
H177C C177 H177D 106.1 . . ?
C177 C178A C179A 110.9(6) . . ?
C177 C178A H178A 109.5 . . ?
C179A C178A H178A 109.5 . . ?
C177 C178A H178B 109.5 . . ?
C179A C178A H178B 109.5 . . ?
H178A C178A H178B 108.0 . . ?
C180A C179A C178A 114.5(8) . . ?
C180A C179A H179A 108.6 . . ?
C178A C179A H179A 108.6 . . ?
C180A C179A H179B 108.6 . . ?
C178A C179A H179B 108.6 . . ?
H179A C179A H179B 107.6 . . ?
C179A C180A H180A 109.5 . . ?
C179A C180A H180B 109.5 . . ?
H180A C180A H180B 109.5 . . ?
C179A C180A H180C 109.5 . . ?
H180A C180A H180C 109.5 . . ?
H180B C180A H180C 109.5 . . ?
C179B C178B C177 104.3(19) . . ?
C179B C178B H178C 110.9 . . ?
C177 C178B H178C 110.9 . . ?
C179B C178B H178D 110.9 . . ?
C177 C178B H178D 110.9 . . ?
H178C C178B H178D 108.9 . . ?
C178B C179B C180B 109(2) . . ?
C178B C179B H179C 109.9 . . ?
C180B C179B H179C 109.9 . . ?
C178B C179B H179D 109.9 . . ?
C180B C179B H179D 109.9 . . ?
H179C C179B H179D 108.3 . . ?
C179B C180B H180D 109.5 . . ?
C179B C180B H180E 109.5 . . ?
H180D C180B H180E 109.5 . . ?
C179B C180B H180F 109.5 . . ?
H180D C180B H180F 109.5 . . ?
H180E C180B H180F 109.5 . . ?
C181 N10 C196 107.0(4) . . ?
C181 N10 C186 111.7(4) . . ?
C196 N10 C186 111.4(4) . . ?
C181 N10 C191 111.2(4) . . ?
C196 N10 C191 110.3(4) . . ?
C186 N10 C191 105.3(4) . . ?
N10 C181 C182 115.7(5) . . ?
N10 C181 H181A 108.4 . . ?
C182 C181 H181A 108.4 . . ?
N10 C181 H181B 108.4 . . ?
C182 C181 H181B 108.4 . . ?
H181A C181 H181B 107.4 . . ?
C183 C182 C181 111.3(5) . . ?
C183 C182 H182A 109.4 . . ?
C181 C182 H182A 109.4 . . ?
C183 C182 H182B 109.4 . . ?
C181 C182 H182B 109.4 . . ?
H182A C182 H182B 108.0 . . ?
C182 C183 C184 112.4(6) . . ?
C182 C183 H183A 109.1 . . ?
C184 C183 H183A 109.1 . . ?
C182 C183 H183B 109.1 . . ?
C184 C183 H183B 109.1 . . ?
H183A C183 H183B 107.9 . . ?
C185 C184 C183 111.9(7) . . ?
C185 C184 H184A 109.2 . . ?
C183 C184 H184A 109.2 . . ?
C185 C184 H184B 109.2 . . ?
C183 C184 H184B 109.2 . . ?
H184A C184 H184B 107.9 . . ?
C184 C185 H185A 109.5 . . ?
C184 C185 H185B 109.5 . . ?
H185A C185 H185B 109.5 . . ?
C184 C185 H185C 109.5 . . ?
H185A C185 H185C 109.5 . . ?
H185B C185 H185C 109.5 . . ?
C187 C186 N10 115.3(5) . . ?
C187 C186 H186A 108.5 . . ?
N10 C186 H186A 108.5 . . ?
C187 C186 H186B 108.5 . . ?
N10 C186 H186B 108.5 . . ?
H186A C186 H186B 107.5 . . ?
C188A C187 C186 124.4(8) . . ?
C188A C187 C188B 19.3(9) . . ?
C186 C187 C188B 107.3(10) . . ?
C188A C187 H187A 106.2 . . ?
C186 C187 H187A 106.2 . . ?
C188B C187 H187A 123.1 . . ?
C188A C187 H187B 106.2 . . ?
C186 C187 H187B 106.2 . . ?
C188B C187 H187B 106.5 . . ?
H187A C187 H187B 106.4 . . ?
C188A C187 H187C 107.6 . . ?
C186 C187 H187C 110.3 . . ?
C188B C187 H187C 110.3 . . ?
H187A C187 H187C 99.2 . . ?
H187B C187 H187C 7.4 . . ?
C188A C187 H187D 94.1 . . ?
C186 C187 H187D 110.3 . . ?
C188B C187 H187D 110.3 . . ?
H187A C187 H187D 13.3 . . ?
H187B C187 H187D 115.9 . . ?
H187C C187 H187D 108.5 . . ?
C187 C188A C189A 117.3(11) . . ?
C187 C188A H188A 108.0 . . ?
C189A C188A H188A 108.0 . . ?
C187 C188A H188B 108.0 . . ?
C189A C188A H188B 108.0 . . ?
H188A C188A H188B 107.2 . . ?
C188A C189A C190A 112.8(12) . . ?
C188A C189A H189A 109.0 . . ?
C190A C189A H189A 109.0 . . ?
C188A C189A H189B 109.0 . . ?
C190A C189A H189B 109.0 . . ?
H189A C189A H189B 107.8 . . ?
C189A C190A H190A 109.5 . . ?
C189A C190A H190B 109.5 . . ?
H190A C190A H190B 109.5 . . ?
C189A C190A H190C 109.5 . . ?
H190A C190A H190C 109.5 . . ?
H190B C190A H190C 109.5 . . ?
C187 C188B C189B 120.4(16) . . ?
C187 C188B H188C 107.2 . . ?
C189B C188B H188C 107.2 . . ?
C187 C188B H188D 107.2 . . ?
C189B C188B H188D 107.2 . . ?
H188C C188B H188D 106.9 . . ?
C190B C189B C188B 113.8(18) . . ?
C190B C189B H189C 108.8 . . ?
C188B C189B H189C 108.8 . . ?
C190B C189B H189D 108.8 . . ?
C188B C189B H189D 108.8 . . ?
H189C C189B H189D 107.7 . . ?
C189B C190B H190D 109.5 . . ?
C189B C190B H190E 109.5 . . ?
H190D C190B H190E 109.5 . . ?
C189B C190B H190F 109.5 . . ?
H190D C190B H190F 109.5 . . ?
H190E C190B H190F 109.5 . . ?
C192 C191 N10 115.0(5) . . ?
C192 C191 H191A 108.5 . . ?
N10 C191 H191A 108.5 . . ?
C192 C191 H191B 108.5 . . ?
N10 C191 H191B 108.5 . . ?
H191A C191 H191B 107.5 . . ?
C191 C192 C193 109.5(5) . . ?
C191 C192 H192A 109.8 . . ?
C193 C192 H192A 109.8 . . ?
C191 C192 H192B 109.8 . . ?
C193 C192 H192B 109.8 . . ?
H192A C192 H192B 108.2 . . ?
C194 C193 C192 112.7(5) . . ?
C194 C193 H193A 109.0 . . ?
C192 C193 H193A 109.0 . . ?
C194 C193 H193B 109.0 . . ?
C192 C193 H193B 109.0 . . ?
H193A C193 H193B 107.8 . . ?
C193 C194 C195 112.0(6) . . ?
C193 C194 H194A 109.2 . . ?
C195 C194 H194A 109.2 . . ?
C193 C194 H194B 109.2 . . ?
C195 C194 H194B 109.2 . . ?
H194A C194 H194B 107.9 . . ?
C194 C195 H195A 109.5 . . ?
C194 C195 H195B 109.5 . . ?
H195A C195 H195B 109.5 . . ?
C194 C195 H195C 109.5 . . ?
H195A C195 H195C 109.5 . . ?
H195B C195 H195C 109.5 . . ?
N10 C196 C197 116.3(5) . . ?
N10 C196 H196A 108.2 . . ?
C197 C196 H196A 108.2 . . ?
N10 C196 H196B 108.2 . . ?
C197 C196 H196B 108.2 . . ?
H196A C196 H196B 107.4 . . ?
C196 C197 C198 109.3(5) . . ?
C196 C197 H197A 109.8 . . ?
C198 C197 H197A 109.8 . . ?
C196 C197 H197B 109.8 . . ?
C198 C197 H197B 109.8 . . ?
H197A C197 H197B 108.3 . . ?
C199 C198 C197 113.9(5) . . ?
C199 C198 H198A 108.8 . . ?
C197 C198 H198A 108.8 . . ?
C199 C198 H198B 108.8 . . ?
C197 C198 H198B 108.8 . . ?
H198A C198 H198B 107.7 . . ?
C198 C199 C200 111.1(5) . . ?
C198 C199 H199A 109.4 . . ?
C200 C199 H199A 109.4 . . ?
C198 C199 H199B 109.4 . . ?
C200 C199 H199B 109.4 . . ?
H199A C199 H199B 108.0 . . ?
C199 C200 H200A 109.5 . . ?
C199 C200 H200B 109.5 . . ?
H200A C200 H200B 109.5 . . ?
C199 C200 H200C 109.5 . . ?
H200A C200 H200C 109.5 . . ?
H200B C200 H200C 109.5 . . ?
C216A N11 C211 101.0(7) . . ?
C216A N11 C201A 95.8(8) . . ?
C211 N11 C201A 126.5(7) . . ?
C216A N11 C206 119.1(9) . . ?
C211 N11 C206 111.7(6) . . ?
C201A N11 C206 103.0(6) . . ?
C216A N11 C201B 123.0(9) . . ?
C211 N11 C201B 94.1(8) . . ?
C201A N11 C201B 36.8(6) . . ?
C206 N11 C201B 104.7(6) . . ?
C216A N11 C216B 13.8(7) . . ?
C211 N11 C216B 109.8(5) . . ?
C201A N11 C216B 98.1(7) . . ?
C206 N11 C216B 105.4(6) . . ?
C201B N11 C216B 130.5(7) . . ?
C202A C201A N11 113.5(8) . . ?
C202A C201A H201A 108.9 . . ?
N11 C201A H201A 108.9 . . ?
C202A C201A H201B 108.9 . . ?
N11 C201A H201B 108.9 . . ?
H201A C201A H201B 107.7 . . ?
C201A C202A C203A 110.9(9) . . ?
C201A C202A H202A 109.5 . . ?
C203A C202A H202A 109.5 . . ?
C201A C202A H202B 109.5 . . ?
C203A C202A H202B 109.5 . . ?
H202A C202A H202B 108.1 . . ?
C202A C203A C204 113.1(9) . . ?
C202A C203A H203A 109.0 . . ?
C204 C203A H203A 109.0 . . ?
C202A C203A H203B 109.0 . . ?
C204 C203A H203B 109.0 . . ?
H203A C203A H203B 107.8 . . ?
C202B C201B N11 117.2(9) . . ?
C202B C201B H201C 108.0 . . ?
N11 C201B H201C 108.0 . . ?
C202B C201B H201D 108.0 . . ?
N11 C201B H201D 108.0 . . ?
H201C C201B H201D 107.2 . . ?
C203B C202B C201B 117.0(13) . . ?
C203B C202B H202C 108.0 . . ?
C201B C202B H202C 108.0 . . ?
C203B C202B H202D 108.0 . . ?
C201B C202B H202D 108.0 . . ?
H202C C202B H202D 107.3 . . ?
C204 C203B C202B 109.9(15) . . ?
C204 C203B H203C 109.7 . . ?
C202B C203B H203C 109.7 . . ?
C204 C203B H203D 109.7 . . ?
C202B C203B H203D 109.7 . . ?
H203C C203B H203D 108.2 . . ?
C205B C204 C203B 119.0(17) . . ?
C205B C204 C205A 128.1(17) . . ?
C203B C204 C205A 41.5(10) . . ?
C205B C204 C203A 44.3(13) . . ?
C203B C204 C203A 83.2(11) . . ?
C205A C204 C203A 115.9(12) . . ?
C205B C204 H204A 123.2 . . ?
C203B C204 H204A 97.4 . . ?
C205A C204 H204A 108.3 . . ?
C203A C204 H204A 108.3 . . ?
C205B C204 H204B 64.0 . . ?
C203B C204 H204B 147.0 . . ?
C205A C204 H204B 108.3 . . ?
C203A C204 H204B 108.3 . . ?
H204A C204 H204B 107.4 . . ?
C205B C204 H204C 107.6 . . ?
C203B C204 H204C 107.6 . . ?
C205A C204 H204C 66.3 . . ?
C203A C204 H204C 148.4 . . ?
H204A C204 H204C 99.8 . . ?
H204B C204 H204C 47.8 . . ?
C205B C204 H204D 107.6 . . ?
C203B C204 H204D 107.6 . . ?
C205A C204 H204D 123.8 . . ?
C203A C204 H204D 97.2 . . ?
H204A C204 H204D 15.6 . . ?
H204B C204 H204D 101.6 . . ?
H204C C204 H204D 107.0 . . ?
C204 C205A H205A 109.5 . . ?
C204 C205A H205B 109.5 . . ?
H205A C205A H205B 109.5 . . ?
C204 C205A H205C 109.5 . . ?
H205A C205A H205C 109.5 . . ?
H205B C205A H205C 109.5 . . ?
C204 C205B H205D 109.5 . . ?
C204 C205B H205E 109.5 . . ?
H205D C205B H205E 109.5 . . ?
C204 C205B H205F 109.5 . . ?
H205D C205B H205F 109.5 . . ?
H205E C205B H205F 109.5 . . ?
C207 C206 N11 116.7(6) . . ?
C207 C206 H206A 108.1 . . ?
N11 C206 H206A 108.1 . . ?
C207 C206 H206B 108.1 . . ?
N11 C206 H206B 108.1 . . ?
H206A C206 H206B 107.3 . . ?
C206 C207 C208 108.9(5) . . ?
C206 C207 H207A 109.9 . . ?
C208 C207 H207A 109.9 . . ?
C206 C207 H207B 109.9 . . ?
C208 C207 H207B 109.9 . . ?
H207A C207 H207B 108.3 . . ?
C209A C208 C207 123.1(6) . . ?
C209A C208 C209B 27.5(10) . . ?
C207 C208 C209B 103.8(11) . . ?
C209A C208 H208A 106.6 . . ?
C207 C208 H208A 106.6 . . ?
C209B C208 H208A 96.9 . . ?
C209A C208 H208B 106.6 . . ?
C207 C208 H208B 106.6 . . ?
C209B C208 H208B 133.9 . . ?
H208A C208 H208B 106.5 . . ?
C209A C208 H208C 84.8 . . ?
C207 C208 H208C 111.0 . . ?
C209B C208 H208C 111.0 . . ?
H208A C208 H208C 125.0 . . ?
H208B C208 H208C 24.5 . . ?
C209A C208 H208D 114.3 . . ?
C207 C208 H208D 111.0 . . ?
C209B C208 H208D 111.0 . . ?
H208A C208 H208D 17.2 . . ?
H208B C208 H208D 89.4 . . ?
H208C C208 H208D 109.0 . . ?
C208 C209A C210A 108.4(8) . . ?
C208 C209A H209C 110.0 . . ?
C210A C209A H209C 110.0 . . ?
C208 C209A H209D 110.0 . . ?
C210A C209A H209D 110.0 . . ?
H209C C209A H209D 108.4 . . ?
C209A C210A H210D 109.5 . . ?
C209A C210A H210E 109.5 . . ?
H210D C210A H210E 109.5 . . ?
C209A C210A H210F 109.5 . . ?
H210D C210A H210F 109.5 . . ?
H210E C210A H210F 109.5 . . ?
C210B C209B C208 119(2) . . ?
C210B C209B H209A 107.6 . . ?
C208 C209B H209A 107.6 . . ?
C210B C209B H209B 107.6 . . ?
C208 C209B H209B 107.6 . . ?
H209A C209B H209B 107.0 . . ?
C209B C210B H210A 109.5 . . ?
C209B C210B H210B 109.5 . . ?
H210A C210B H210B 109.5 . . ?
C209B C210B H210C 109.5 . . ?
H210A C210B H210C 109.5 . . ?
H210B C210B H210C 109.5 . . ?
C212A C211 N11 103.5(9) . . ?
C212A C211 C212B 30.0(7) . . ?
N11 C211 C212B 127.4(9) . . ?
C212A C211 H211A 111.1 . . ?
N11 C211 H211A 111.1 . . ?
C212B C211 H211A 110.2 . . ?
C212A C211 H211B 111.1 . . ?
N11 C211 H211B 111.1 . . ?
C212B C211 H211B 84.1 . . ?
H211A C211 H211B 109.0 . . ?
C212A C211 H211C 134.4 . . ?
N11 C211 H211C 105.4 . . ?
C212B C211 H211C 105.4 . . ?
H211A C211 H211C 90.3 . . ?
H211B C211 H211C 24.4 . . ?
C212A C211 H211D 99.3 . . ?
N11 C211 H211D 105.4 . . ?
C212B C211 H211D 105.4 . . ?
H211A C211 H211D 15.7 . . ?
H211B C211 H211D 124.2 . . ?
H211C C211 H211D 106.0 . . ?
C211 C212A C213A 100.9(10) . . ?
C211 C212A H212A 111.6 . . ?
C213A C212A H212A 111.6 . . ?
C211 C212A H212B 111.6 . . ?
C213A C212A H212B 111.6 . . ?
H212A C212A H212B 109.4 . . ?
C214 C213A C212A 113.3(11) . . ?
C214 C213A H213A 108.9 . . ?
C212A C213A H213A 108.9 . . ?
C214 C213A H213B 108.9 . . ?
C212A C213A H213B 108.9 . . ?
H213A C213A H213B 107.7 . . ?
C213B C212B C211 119.7(12) . . ?
C213B C212B H212C 107.4 . . ?
C211 C212B H212C 107.4 . . ?
C213B C212B H212D 107.4 . . ?
C211 C212B H212D 107.4 . . ?
H212C C212B H212D 106.9 . . ?
C214 C213B C212B 115.4(13) . . ?
C214 C213B H213C 108.4 . . ?
C212B C213B H213C 108.4 . . ?
C214 C213B H213D 108.4 . . ?
C212B C213B H213D 108.4 . . ?
H213C C213B H213D 107.5 . . ?
C213B C214 C215A 72.2(12) . . ?
C213B C214 C215B 112.3(14) . . ?
C215A C214 C215B 41.5(9) . . ?
C213B C214 C213A 40.3(8) . . ?
C215A C214 C213A 108.9(13) . . ?
C215B C214 C213A 140.8(13) . . ?
C213B C214 H214A 139.7 . . ?
C215A C214 H214A 109.9 . . ?
C215B C214 H214A 72.7 . . ?
C213A C214 H214A 109.9 . . ?
C213B C214 H214B 108.3 . . ?
C215A C214 H214B 109.9 . . ?
C215B C214 H214B 105.7 . . ?
C213A C214 H214B 109.9 . . ?
H214A C214 H214B 108.3 . . ?
C213B C214 H214C 109.1 . . ?
C215A C214 H214C 114.5 . . ?
C215B C214 H214C 109.1 . . ?
C213A C214 H214C 107.4 . . ?
H214A C214 H214C 106.1 . . ?
H214B C214 H214C 4.6 . . ?
C213B C214 H214D 109.1 . . ?
C215A C214 H214D 134.5 . . ?
C215B C214 H214D 109.1 . . ?
C213A C214 H214D 71.8 . . ?
H214A C214 H214D 39.7 . . ?
H214B C214 H214D 112.2 . . ?
H214C C214 H214D 107.9 . . ?
C214 C215A H215A 109.5 . . ?
C214 C215A H215B 109.5 . . ?
H215A C215A H215B 109.5 . . ?
C214 C215A H215C 109.5 . . ?
H215A C215A H215C 109.5 . . ?
H215B C215A H215C 109.5 . . ?
C214 C215B H215D 109.5 . . ?
C214 C215B H215E 109.5 . . ?
H215D C215B H215E 109.5 . . ?
C214 C215B H215F 109.5 . . ?
H215D C215B H215F 109.5 . . ?
H215E C215B H215F 109.5 . . ?
N11 C216A C217A 108.3(11) . . ?
N11 C216A H216A 110.0 . . ?
C217A C216A H216A 110.0 . . ?
N11 C216A H216B 110.0 . . ?
C217A C216A H216B 110.0 . . ?
H216A C216A H216B 108.4 . . ?
C218A C217A C216A 113.2(12) . . ?
C218A C217A H217A 108.9 . . ?
C216A C217A H217A 108.9 . . ?
C218A C217A H217B 108.9 . . ?
C216A C217A H217B 108.9 . . ?
H217A C217A H217B 107.8 . . ?
C219A C218A C217A 113.5(13) . . ?
C219A C218A H218A 108.9 . . ?
C217A C218A H218A 108.9 . . ?
C219A C218A H218B 108.9 . . ?
C217A C218A H218B 108.9 . . ?
H218A C218A H218B 107.7 . . ?
C220 C219A C218A 119.1(15) . . ?
C220 C219A H219A 107.5 . . ?
C218A C219A H219A 107.5 . . ?
C220 C219A H219B 107.5 . . ?
C218A C219A H219B 107.5 . . ?
H219A C219A H219B 107.0 . . ?
C217B C216B N11 121.6(8) . . ?
C217B C216B H216C 106.9 . . ?
N11 C216B H216C 106.9 . . ?
C217B C216B H216D 106.9 . . ?
N11 C216B H216D 106.9 . . ?
H216C C216B H216D 106.7 . . ?
C216B C217B C218B 110.1(9) . . ?
C216B C217B H217C 109.6 . . ?
C218B C217B H217C 109.6 . . ?
C216B C217B H217D 109.6 . . ?
C218B C217B H217D 109.6 . . ?
H217C C217B H217D 108.2 . . ?
C219B C218B C217B 114.9(11) . . ?
C219B C218B H218C 108.6 . . ?
C217B C218B H218C 108.6 . . ?
C219B C218B H218D 108.6 . . ?
C217B C218B H218D 108.6 . . ?
H218C C218B H218D 107.5 . . ?
C220 C219B C218B 119.6(12) . . ?
C220 C219B H219C 107.4 . . ?
C218B C219B H219C 107.4 . . ?
C220 C219B H219D 107.4 . . ?
C218B C219B H219D 107.4 . . ?
H219C C219B H219D 107.0 . . ?
C219B C220 C219A 61.3(11) . . ?
C219B C220 H220A 154.3 . . ?
C219A C220 H220A 109.5 . . ?
C219B C220 H220B 58.1 . . ?
C219A C220 H220B 109.5 . . ?
H220A C220 H220B 109.5 . . ?
C219B C220 H220C 96.2 . . ?
C219A C220 H220C 109.5 . . ?
H220A C220 H220C 109.5 . . ?
H220B C220 H220C 109.5 . . ?
C219B C220 H220D 109.5 . . ?
C219A C220 H220D 87.4 . . ?
H220A C220 H220D 44.8 . . ?
H220B C220 H220D 81.8 . . ?
H220C C220 H220D 154.0 . . ?
C219B C220 H220E 109.5 . . ?
C219A C220 H220E 163.1 . . ?
H220A C220 H220E 84.8 . . ?
H220B C220 H220E 72.6 . . ?
H220C C220 H220E 55.5 . . ?
H220D C220 H220E 109.5 . . ?
C219B C220 H220F 109.5 . . ?
C219A C220 H220F 64.5 . . ?
H220A C220 H220F 84.3 . . ?
H220B C220 H220F 166.3 . . ?
H220C C220 H220F 63.9 . . ?
H220D C220 H220F 109.5 . . ?
H220E C220 H220F 109.5 . . ?
C231B N12 C221 117.7(6) . . ?
C231B N12 C226A 110.0(6) . . ?
C221 N12 C226A 115.8(6) . . ?
C231B N12 C226B 109.2(7) . . ?
C221 N12 C226B 99.7(8) . . ?
C226A N12 C226B 21.5(6) . . ?
C231B N12 C231A 24.7(5) . . ?
C221 N12 C231A 101.5(7) . . ?
C226A N12 C231A 104.9(7) . . ?
C226B N12 C231A 95.6(8) . . ?
C231B N12 C236 101.1(6) . . ?
C221 N12 C236 105.8(5) . . ?
C226A N12 C236 104.5(7) . . ?
C226B N12 C236 124.5(9) . . ?
C231A N12 C236 125.2(7) . . ?
C222 C221 N12 115.6(6) . . ?
C222 C221 H221A 108.4 . . ?
N12 C221 H221A 108.4 . . ?
C222 C221 H221B 108.4 . . ?
N12 C221 H221B 108.4 . . ?
H221A C221 H221B 107.4 . . ?
C221 C222 C223 109.8(6) . . ?
C221 C222 H222A 109.7 . . ?
C223 C222 H222A 109.7 . . ?
C221 C222 H222B 109.7 . . ?
C223 C222 H222B 109.7 . . ?
H222A C222 H222B 108.2 . . ?
C224 C223 C222 115.8(6) . . ?
C224 C223 H223A 108.3 . . ?
C222 C223 H223A 108.3 . . ?
C224 C223 H223B 108.3 . . ?
C222 C223 H223B 108.3 . . ?
H223A C223 H223B 107.4 . . ?
C225 C224 C223 113.1(6) . . ?
C225 C224 H224A 109.0 . . ?
C223 C224 H224A 109.0 . . ?
C225 C224 H224B 109.0 . . ?
C223 C224 H224B 109.0 . . ?
H224A C224 H224B 107.8 . . ?
C224 C225 H225A 109.5 . . ?
C224 C225 H225B 109.5 . . ?
H225A C225 H225B 109.5 . . ?
C224 C225 H225C 109.5 . . ?
H225A C225 H225C 109.5 . . ?
H225B C225 H225C 109.5 . . ?
C227 C226A N12 115.8(6) . . ?
C227 C226A H226A 108.3 . . ?
N12 C226A H226A 108.3 . . ?
C227 C226A H226B 108.3 . . ?
N12 C226A H226B 108.3 . . ?
H226A C226A H226B 107.4 . . ?
N12 C226B C227 107.5(9) . . ?
N12 C226B H226C 110.2 . . ?
C227 C226B H226C 110.2 . . ?
N12 C226B H226D 110.2 . . ?
C227 C226B H226D 110.2 . . ?
H226C C226B H226D 108.5 . . ?
C226A C227 C228 110.5(5) . . ?
C226A C227 C226B 20.6(5) . . ?
C228 C227 C226B 111.7(6) . . ?
C226A C227 H227A 109.6 . . ?
C228 C227 H227A 109.6 . . ?
C226B C227 H227A 125.1 . . ?
C226A C227 H227B 109.6 . . ?
C228 C227 H227B 109.6 . . ?
C226B C227 H227B 90.5 . . ?
H227A C227 H227B 108.1 . . ?
C226A C227 H227C 126.3 . . ?
C228 C227 H227C 109.3 . . ?
C226B C227 H227C 109.3 . . ?
H227A C227 H227C 89.1 . . ?
H227B C227 H227C 21.1 . . ?
C226A C227 H227D 91.3 . . ?
C228 C227 H227D 109.3 . . ?
C226B C227 H227D 109.3 . . ?
H227A C227 H227D 20.6 . . ?
H227B C227 H227D 125.0 . . ?
H227C C227 H227D 107.9 . . ?
C229 C228 C227 112.6(5) . . ?
C229 C228 H228A 109.1 . . ?
C227 C228 H228A 109.1 . . ?
C229 C228 H228B 109.1 . . ?
C227 C228 H228B 109.1 . . ?
H228A C228 H228B 107.8 . . ?
C228 C229 C230 113.1(5) . . ?
C228 C229 H229A 108.9 . . ?
C230 C229 H229A 108.9 . . ?
C228 C229 H229B 108.9 . . ?
C230 C229 H229B 108.9 . . ?
H229A C229 H229B 107.8 . . ?
C229 C230 H230A 109.5 . . ?
C229 C230 H230B 109.5 . . ?
H230A C230 H230B 109.5 . . ?
C229 C230 H230C 109.5 . . ?
H230A C230 H230C 109.5 . . ?
H230B C230 H230C 109.5 . . ?
N12 C231A C232A 115.3(10) . . ?
N12 C231A H231A 108.4 . . ?
C232A C231A H231A 108.4 . . ?
N12 C231A H231B 108.4 . . ?
C232A C231A H231B 108.4 . . ?
H231A C231A H231B 107.5 . . ?
C233A C232A C231A 124.2(13) . . ?
C233A C232A H232A 106.3 . . ?
C231A C232A H232A 106.3 . . ?
C233A C232A H232B 106.3 . . ?
C231A C232A H232B 106.3 . . ?
H232A C232A H232B 106.4 . . ?
C234A C233A C232A 119.2(14) . . ?
C234A C233A H233A 107.5 . . ?
C232A C233A H233A 107.5 . . ?
C234A C233A H233B 107.5 . . ?
C232A C233A H233B 107.5 . . ?
H233A C233A H233B 107.0 . . ?
C233A C234A C235A 116.8(19) . . ?
C233A C234A H234A 108.1 . . ?
C235A C234A H234A 108.1 . . ?
C233A C234A H234B 108.1 . . ?
C235A C234A H234B 108.1 . . ?
H234A C234A H234B 107.3 . . ?
C234A C235A H235A 109.5 . . ?
C234A C235A H235B 109.5 . . ?
H235A C235A H235B 109.5 . . ?
C234A C235A H235C 109.5 . . ?
H235A C235A H235C 109.5 . . ?
H235B C235A H235C 109.5 . . ?
N12 C231B C232B 116.7(8) . . ?
N12 C231B H231C 108.1 . . ?
C232B C231B H231C 108.1 . . ?
N12 C231B H231D 108.1 . . ?
C232B C231B H231D 108.1 . . ?
H231C C231B H231D 107.3 . . ?
C233B C232B C231B 105.5(11) . . ?
C233B C232B H232C 110.6 . . ?
C231B C232B H232C 110.6 . . ?
C233B C232B H232D 110.6 . . ?
C231B C232B H232D 110.6 . . ?
H232C C232B H232D 108.8 . . ?
C232B C233B C234B 115.2(15) . . ?
C232B C233B H233C 108.5 . . ?
C234B C233B H233C 108.5 . . ?
C232B C233B H233D 108.5 . . ?
C234B C233B H233D 108.5 . . ?
H233C C233B H233D 107.5 . . ?
C235B C234B C233B 119(2) . . ?
C235B C234B H234C 107.7 . . ?
C233B C234B H234C 107.7 . . ?
C235B C234B H234D 107.7 . . ?
C233B C234B H234D 107.7 . . ?
H234C C234B H234D 107.1 . . ?
C234B C235B H235D 109.5 . . ?
C234B C235B H235E 109.5 . . ?
H235D C235B H235E 109.5 . . ?
C234B C235B H235F 109.5 . . ?
H235D C235B H235F 109.5 . . ?
H235E C235B H235F 109.5 . . ?
C237B C236 N12 95.8(9) . . ?
C237B C236 C237A 27.2(7) . . ?
N12 C236 C237A 122.4(6) . . ?
C237B C236 H236A 124.8 . . ?
N12 C236 H236A 106.7 . . ?
C237A C236 H236A 106.7 . . ?
C237B C236 H236B 114.1 . . ?
N12 C236 H236B 106.7 . . ?
C237A C236 H236B 106.7 . . ?
H236A C236 H236B 106.6 . . ?
C237B C236 H236C 112.6 . . ?
N12 C236 H236C 112.6 . . ?
C237A C236 H236C 102.8 . . ?
H236A C236 H236C 104.1 . . ?
H236B C236 H236C 5.9 . . ?
C237B C236 H236D 112.6 . . ?
N12 C236 H236D 112.6 . . ?
C237A C236 H236D 94.6 . . ?
H236A C236 H236D 12.4 . . ?
H236B C236 H236D 113.6 . . ?
H236C C236 H236D 110.1 . . ?
C238A C237A C236 113.0(7) . . ?
C238A C237A H237A 109.0 . . ?
C236 C237A H237A 109.0 . . ?
C238A C237A H237B 109.0 . . ?
C236 C237A H237B 109.0 . . ?
H237A C237A H237B 107.8 . . ?
C239A C238A C237A 113.9(9) . . ?
C239A C238A H238A 108.8 . . ?
C237A C238A H238A 108.8 . . ?
C239A C238A H238B 108.8 . . ?
C237A C238A H238B 108.8 . . ?
H238A C238A H238B 107.7 . . ?
C238A C239A C240A 116.1(10) . . ?
C238A C239A H239A 108.3 . . ?
C240A C239A H239A 108.3 . . ?
C238A C239A H239B 108.3 . . ?
C240A C239A H239B 108.3 . . ?
H239A C239A H239B 107.4 . . ?
C239A C240A H240A 109.5 . . ?
C239A C240A H240B 109.5 . . ?
H240A C240A H240B 109.5 . . ?
C239A C240A H240C 109.5 . . ?
H240A C240A H240C 109.5 . . ?
H240B C240A H240C 109.5 . . ?
C236 C237B C238B 98.1(12) . . ?
C236 C237B H237C 112.2 . . ?
C238B C237B H237C 112.2 . . ?
C236 C237B H237D 112.2 . . ?
C238B C237B H237D 112.2 . . ?
H237C C237B H237D 109.8 . . ?
C239B C238B C237B 113.7(16) . . ?
C239B C238B H238C 108.8 . . ?
C237B C238B H238C 108.8 . . ?
C239B C238B H238D 108.8 . . ?
C237B C238B H238D 108.8 . . ?
H238C C238B H238D 107.7 . . ?
C240B C239B C238B 113(2) . . ?
C240B C239B H239C 108.9 . . ?
C238B C239B H239C 108.9 . . ?
C240B C239B H239D 108.9 . . ?
C238B C239B H239D 108.9 . . ?
H239C C239B H239D 107.7 . . ?
C239B C240B H240D 109.5 . . ?
C239B C240B H240E 109.5 . . ?
H240D C240B H240E 109.5 . . ?
C239B C240B H240F 109.5 . . ?
H240D C240B H240F 109.5 . . ?
H240E C240B H240F 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
V2B_A OG2_A 1.597(3) . ?
V2B_A OD1_A 1.821(3) . ?
V2B_A OC4'_A 1.883(3) . ?
V2B_A OC2_A 1.935(3) . ?
V2B_A OE2_A 2.035(3) . ?
V2B_A OA1_A 2.407(3) . ?
V2B_A V2A_A 3.0850(10) . ?
V2B_A V1A'_A 3.1056(10) . ?
V2B_A V3A_A 3.1154(10) . ?
V2B_A V3B'_A 3.1166(10) . ?
V1A'_A OE2_A 1.691(3) . ?
V1A'_A OE1'_A 1.693(3) . ?
V1A'_A OB1'_A 1.916(3) . ?
V1A'_A OB2_A 1.953(3) . ?
V1A'_A OA1'_A 2.117(3) . ?
V1A'_A OA1_A 2.139(3) . ?
V1A'_A V2A'_A 3.1036(9) . ?
V2A'_A OG1'_A 1.604(3) . ?
V2A'_A OD1'_A 1.811(3) . ?
V2A'_A OC1'_A 1.860(3) . ?
V2A'_A OC3_A 1.952(3) . ?
V2A'_A OE1'_A 2.049(3) . ?
V2A'_A OA1'_A 2.386(3) . ?
V2A'_A V2B'_A 3.0804(9) . ?
V2A'_A V3A'_A 3.1095(10) . ?
V2A'_A V3B_A 3.1164(10) . ?
V2B'_A OG2'_A 1.602(3) . ?
V2B'_A OC2'_A 1.795(3) . ?
V2B'_A OD1'_A 1.848(3) . ?
V2B'_A OC4_A 2.014(3) . ?
V2B'_A OE2'_A 2.053(3) . ?
V2B'_A OA1'_A 2.321(3) . ?
V2B'_A V1A_A 3.0733(9) . ?
V2B'_A V3A'_A 3.0899(10) . ?
V1A_A OE2'_A 1.707(3) . ?
V1A_A OE1_A 1.712(3) . ?
V1A_A OB2'_A 1.832(3) . ?
V1A_A OA1'_A 2.065(3) . ?
V1A_A OA1_A 2.068(3) . ?
V1A_A OB1_A 2.101(3) . ?
V1A_A V2A_A 3.0537(9) . ?
V2A_A OG1_A 1.623(3) . ?
V2A_A OC3'_A 1.785(3) . ?
V2A_A OD1_A 1.831(3) . ?
V2A_A OC1_A 2.013(3) . ?
V2A_A OE1_A 2.056(3) . ?
V2A_A OA1_A 2.260(3) . ?
V2A_A V3B'_A 3.0653(10) . ?
V3A_A OF1_A 1.605(3) . ?
V3A_A OC2_A 1.735(3) . ?
V3A_A OC1_A 1.942(3) . ?
V3A_A OB2_A 1.944(3) . ?
V3A_A OB1_A 2.140(3) . ?
V3A_A OA1_A 2.273(3) . ?
V3B_A OF2_A 1.604(3) . ?
V3B_A OC3_A 1.734(3) . ?
V3B_A OC4_A 1.944(3) . ?
V3B_A OB2_A 1.945(3) . ?
V3B_A OB1_A 2.127(3) . ?
V3B_A OA1'_A 2.263(3) . ?
V3B'_A OF2'_A 1.610(3) . ?
V3B'_A OC4'_A 1.779(3) . ?
V3B'_A OC3'_A 1.874(3) . ?
V3B'_A OB1'_A 1.963(3) . ?
V3B'_A OB2'_A 2.072(3) . ?
V3B'_A OA1_A 2.326(3) . ?
V3B'_A V3A'_A 3.0872(10) . ?
V3A'_A OF1'_A 1.605(3) . ?
V3A'_A OC1'_A 1.799(3) . ?
V3A'_A OC2'_A 1.868(3) . ?
V3A'_A OB1'_A 1.980(3) . ?
V3A'_A OB2'_A 2.053(3) . ?
V3A'_A OA1'_A 2.332(3) . ?
V2B_B OG2_B 1.597(3) . ?
V2B_B OD1_B 1.815(3) . ?
V2B_B OC4'_B 1.879(3) . ?
V2B_B OC2_B 1.934(3) . ?
V2B_B OE2_B 2.038(3) . ?
V2B_B OA1_B 2.405(3) . ?
V2B_B V2A_B 3.0800(10) . ?
V2B_B V1A'_B 3.1081(10) . ?
V2B_B V3A_B 3.1166(10) . ?
V2B_B V3B'_B 3.1191(11) . ?
V1A'_B OE2_B 1.687(3) . ?
V1A'_B OE1'_B 1.690(3) . ?
V1A'_B OB1'_B 1.922(3) . ?
V1A'_B OB2_B 1.957(3) . ?
V1A'_B OA1'_B 2.124(3) . ?
V1A'_B OA1_B 2.140(3) . ?
V1A'_B V2A'_B 3.1040(9) . ?
V2A'_B OG1'_B 1.606(3) . ?
V2A'_B OD1'_B 1.807(3) . ?
V2A'_B OC1'_B 1.859(3) . ?
V2A'_B OC3_B 1.943(3) . ?
V2A'_B OE1'_B 2.044(3) . ?
V2A'_B OA1'_B 2.388(3) . ?
V2A'_B V2B'_B 3.0854(9) . ?
V2A'_B V3A'_B 3.1111(10) . ?
V2A'_B V3B_B 3.1141(10) . ?
V2B'_B OG2'_B 1.602(3) . ?
V2B'_B OC2'_B 1.803(3) . ?
V2B'_B OD1'_B 1.850(3) . ?
V2B'_B OC4_B 2.004(3) . ?
V2B'_B OE2'_B 2.053(3) . ?
V2B'_B OA1'_B 2.323(3) . ?
V2B'_B V1A_B 3.0746(9) . ?
V2B'_B V3A'_B 3.0926(10) . ?
V1A_B OE2'_B 1.709(3) . ?
V1A_B OE1_B 1.715(3) . ?
V1A_B OB2'_B 1.827(3) . ?
V1A_B OA1'_B 2.060(3) . ?
V1A_B OA1_B 2.072(3) . ?
V1A_B OB1_B 2.097(3) . ?
V1A_B V2A_B 3.0517(9) . ?
V2A_B OG1_B 1.623(3) . ?
V2A_B OC3'_B 1.788(3) . ?
V2A_B OD1_B 1.835(3) . ?
V2A_B OC1_B 2.014(3) . ?
V2A_B OE1_B 2.051(3) . ?
V2A_B OA1_B 2.254(3) . ?
V2A_B V3B'_B 3.0670(10) . ?
V3B'_B OF2'_B 1.608(3) . ?
V3B'_B OC4'_B 1.783(3) . ?
V3B'_B OC3'_B 1.879(3) . ?
V3B'_B OB1'_B 1.956(3) . ?
V3B'_B OB2'_B 2.077(3) . ?
V3B'_B OA1_B 2.329(3) . ?
V3B'_B V3A'_B 3.0875(10) . ?
V3A'_B OF1'_B 1.605(3) . ?
V3A'_B OC1'_B 1.799(3) . ?
V3A'_B OC2'_B 1.869(3) . ?
V3A'_B OB1'_B 1.978(3) . ?
V3A'_B OB2'_B 2.054(3) . ?
V3A'_B OA1'_B 2.335(3) . ?
V3A_B OF1_B 1.609(3) . ?
V3A_B OC2_B 1.740(3) . ?
V3A_B OB2_B 1.940(3) . ?
V3A_B OC1_B 1.944(3) . ?
V3A_B OB1_B 2.142(3) . ?
V3A_B OA1_B 2.277(3) . ?
V3B_B OF2_B 1.608(3) . ?
V3B_B OC3_B 1.735(3) . ?
V3B_B OB2_B 1.940(3) . ?
V3B_B OC4_B 1.944(3) . ?
V3B_B OB1_B 2.127(3) . ?
V3B_B OA1'_B 2.257(3) . ?
V2A_C OG1_C 1.621(3) . ?
V2A_C OC3'_C 1.786(3) . ?
V2A_C OD1_C 1.836(3) . ?
V2A_C OC1_C 2.017(3) . ?
V2A_C OE1_C 2.055(3) . ?
V2A_C OA1_C 2.264(3) . ?
V2A_C V1A_C 3.0577(10) . ?
V2A_C V3B'_C 3.0738(11) . ?
V2A_C V2B_C 3.0828(10) . ?
V1A_C OE2'_C 1.709(3) . ?
V1A_C OE1_C 1.714(3) . ?
V1A_C OB2'_C 1.825(3) . ?
V1A_C OA1_C 2.066(3) . ?
V1A_C OA1'_C 2.066(3) . ?
V1A_C OB1_C 2.111(3) . ?
V1A_C V2B'_C 3.0841(10) . ?
V2B'_C OG2'_C 1.596(3) . ?
V2B'_C OC2'_C 1.794(3) . ?
V2B'_C OD1'_C 1.852(3) . ?
V2B'_C OC4_C 2.008(3) . ?
V2B'_C OE2'_C 2.041(3) . ?
V2B'_C OA1'_C 2.339(3) . ?
V2B'_C V2A'_C 3.0885(10) . ?
V2B'_C V3A'_C 3.1108(10) . ?
V2A'_C OG1'_C 1.599(3) . ?
V2A'_C OD1'_C 1.808(3) . ?
V2A'_C OC1'_C 1.852(3) . ?
V2A'_C OC3_C 1.954(3) . ?
V2A'_C OE1'_C 2.050(3) . ?
V2A'_C OA1'_C 2.387(3) . ?
V2A'_C V1A'_C 3.1046(11) . ?
V2A'_C V3A'_C 3.1095(11) . ?
V2A'_C V3B_C 3.1174(11) . ?
V1A'_C OE1'_C 1.688(3) . ?
V1A'_C OE2_C 1.696(3) . ?
V1A'_C OB1'_C 1.923(3) . ?
V1A'_C OB2_C 1.950(3) . ?
V1A'_C OA1'_C 2.117(3) . ?
V1A'_C OA1_C 2.152(3) . ?
V1A'_C V2B_C 3.1170(11) . ?
V2B_C OG2_C 1.601(3) . ?
V2B_C OD1_C 1.822(3) . ?
V2B_C OC4'_C 1.866(3) . ?
V2B_C OC2_C 1.927(3) . ?
V2B_C OE2_C 2.031(3) . ?
V2B_C OA1_C 2.407(3) . ?
V2B_C V3B'_C 3.1124(11) . ?
V2B_C V3A_C 3.1178(11) . ?
V3B'_C OF2'_C 1.605(3) . ?
V3B'_C OC4'_C 1.789(3) . ?
V3B'_C OC3'_C 1.879(3) . ?
V3B'_C OB1'_C 1.955(3) . ?
V3B'_C OB2'_C 2.072(3) . ?
V3B'_C OA1_C 2.322(3) . ?
V3B'_C V3A'_C 3.0652(11) . ?
V3A'_C OF1'_C 1.599(3) . ?
V3A'_C OC1'_C 1.801(3) . ?
V3A'_C OC2'_C 1.865(3) . ?
V3A'_C OB1'_C 1.974(3) . ?
V3A'_C OB2'_C 2.040(3) . ?
V3A'_C OA1'_C 2.343(3) . ?
V3A_C OF1_C 1.601(3) . ?
V3A_C OC2_C 1.738(3) . ?
V3A_C OB2_C 1.937(3) . ?
V3A_C OC1_C 1.942(3) . ?
V3A_C OB1_C 2.131(3) . ?
V3A_C OA1_C 2.264(3) . ?
V3B_C OF2_C 1.607(3) . ?
V3B_C OC3_C 1.731(3) . ?
V3B_C OB2_C 1.939(3) . ?
V3B_C OC4_C 1.945(3) . ?
V3B_C OB1_C 2.133(3) . ?
V3B_C OA1'_C 2.254(3) . ?
V2A'_D OG1'_D 1.606(3) . ?
V2A'_D OD1'_D 1.802(3) . ?
V2A'_D OC1'_D 1.848(3) . ?
V2A'_D OC3_D 1.963(3) . ?
V2A'_D OE1'_D 2.046(3) . ?
V2A'_D OA1'_D 2.382(3) . ?
V2A'_D V2B'_D 3.0863(10) . ?
V2A'_D V1A'_D 3.1027(11) . ?
V2A'_D V3B_D 3.1059(11) . ?
V1A'_D OE1'_D 1.686(3) . ?
V1A'_D OE2_D 1.694(3) . ?
V1A'_D OB1'_D 1.922(3) . ?
V1A'_D OB2_D 1.954(3) . ?
V1A'_D OA1'_D 2.114(3) . ?
V1A'_D OA1_D 2.149(3) . ?
V1A'_D V2B_D 3.1151(11) . ?
V2B_D OG2_D 1.597(3) . ?
V2B_D OD1_D 1.818(3) . ?
V2B_D OC4'_D 1.871(3) . ?
V2B_D OC2_D 1.931(3) . ?
V2B_D OE2_D 2.030(3) . ?
V2B_D OA1_D 2.403(3) . ?
V2B_D V2A_D 3.0816(10) . ?
V2B_D V3B'_D 3.1139(10) . ?
V2B_D V3A_D 3.1151(10) . ?
V2A_D OG1_D 1.614(3) . ?
V2A_D OC3'_D 1.790(3) . ?
V2A_D OD1_D 1.837(3) . ?
V2A_D OC1_D 2.017(3) . ?
V2A_D OE1_D 2.057(3) . ?
V2A_D OA1_D 2.268(3) . ?
V2A_D V1A_D 3.0609(10) . ?
V2A_D V3B'_D 3.0763(10) . ?
V1A_D OE1_D 1.708(3) . ?
V1A_D OE2'_D 1.711(3) . ?
V1A_D OB2'_D 1.823(3) . ?
V1A_D OA1_D 2.067(3) . ?
V1A_D OA1'_D 2.071(3) . ?
V1A_D OB1_D 2.109(3) . ?
V1A_D V2B'_D 3.0791(10) . ?
V2B'_D OG2'_D 1.598(3) . ?
V2B'_D OC2'_D 1.793(3) . ?
V2B'_D OD1'_D 1.857(3) . ?
V2B'_D OC4_D 2.013(3) . ?
V2B'_D OE2'_D 2.040(3) . ?
V2B'_D OA1'_D 2.333(3) . ?
V2B'_D V3B_D 3.1067(10) . ?
V3A_D OF1_D 1.605(3) . ?
V3A_D OC2_D 1.732(3) . ?
V3A_D OB2_D 1.939(3) . ?
V3A_D OC1_D 1.948(3) . ?
V3A_D OB1_D 2.132(3) . ?
V3A_D OA1_D 2.264(3) . ?
V3B_D OF1'_D 1.600(3) . ?
V3B_D OC1'_D 1.798(3) . ?
V3B_D OC2'_D 1.862(3) . ?
V3B_D OB1'_D 1.977(3) . ?
V3B_D OB2'_D 2.042(3) . ?
V3B_D OA1'_D 2.343(3) . ?
V3B_D V3B'_D 3.0631(11) . ?
V3B'_D OF2'_D 1.600(3) . ?
V3B'_D OC4'_D 1.790(3) . ?
V3B'_D OC3'_D 1.877(3) . ?
V3B'_D OB1'_D 1.948(3) . ?
V3B'_D OB2'_D 2.070(3) . ?
V3B'_D OA1_D 2.327(3) . ?
V3A'_D OF2_D 1.611(3) . ?
V3A'_D OC3_D 1.734(3) . ?
V3A'_D OB2_D 1.934(3) . ?
V3A'_D OC4_D 1.950(3) . ?
V3A'_D OB1_D 2.135(3) . ?
V3A'_D OA1'_D 2.255(3) . ?
N1 C6 1.521(6) . ?
N1 C16 1.524(6) . ?
N1 C1 1.528(6) . ?
N1 C11 1.529(6) . ?
C1 C2 1.540(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.524(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.520(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.513(8) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.518(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.533(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.528(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10B 1.473(17) . ?
C9 C10A 1.507(12) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 H9C 0.9900 . ?
C9 H9D 0.9900 . ?
C10A H10A 0.9800 . ?
C10A H10B 0.9800 . ?
C10A H10C 0.9800 . ?
C10B H10D 0.9800 . ?
C10B H10E 0.9800 . ?
C10B H10F 0.9800 . ?
C11 C12 1.527(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.528(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.533(9) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.505(11) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.536(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.539(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.518(8) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.525(9) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
N2 C36 1.509(6) . ?
N2 C21 1.529(6) . ?
N2 C26 1.535(6) . ?
N2 C31 1.541(6) . ?
C21 C22 1.530(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.529(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.536(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.516(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.532(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.532(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.537(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.519(8) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.521(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.540(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.542(7) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.489(9) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.527(6) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.527(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.502(8) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40B 1.46(2) . ?
C39 C40A 1.521(10) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 H39C 0.9900 . ?
C39 H39D 0.9900 . ?
C40A H40A 0.9800 . ?
C40A H40B 0.9800 . ?
C40A H40C 0.9800 . ?
C40B H40D 0.9800 . ?
C40B H40E 0.9800 . ?
C40B H40F 0.9800 . ?
N3 C51 1.517(6) . ?
N3 C56 1.529(6) . ?
N3 C41 1.537(6) . ?
N3 C46 1.539(6) . ?
C41 C42 1.520(7) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.533(7) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.532(8) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.504(9) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.520(7) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.542(7) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49B 1.444(18) . ?
C48 C49A 1.579(10) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 H48C 0.9900 . ?
C48 H48D 0.9900 . ?
C49A C50A 1.510(13) . ?
C49A H49A 0.9900 . ?
C49A H49B 0.9900 . ?
C50A H50A 0.9800 . ?
C50A H50B 0.9800 . ?
C50A H50C 0.9800 . ?
C49B C50B 1.46(3) . ?
C49B H49C 0.9900 . ?
C49B H49D 0.9900 . ?
C50B H50D 0.9800 . ?
C50B H50E 0.9800 . ?
C50B H50F 0.9800 . ?
C51 C52 1.515(7) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.528(7) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.501(8) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55A 1.498(14) . ?
C54 C55B 1.512(16) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 H54C 0.9900 . ?
C54 H54D 0.9900 . ?
C55A H55A 0.9800 . ?
C55A H55B 0.9800 . ?
C55A H55C 0.9800 . ?
C55B H55D 0.9800 . ?
C55B H55E 0.9800 . ?
C55B H55F 0.9800 . ?
C56 C57 1.528(6) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.523(7) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.524(7) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.516(9) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
N4 C76 1.520(6) . ?
N4 C61 1.523(6) . ?
N4 C71 1.528(6) . ?
N4 C66 1.530(6) . ?
C61 C62 1.519(7) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.525(7) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.537(8) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.518(9) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C67 1.514(8) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.513(9) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 C69 1.534(10) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C70A 1.34(2) . ?
C69 C70B 1.531(19) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 H69C 0.9900 . ?
C69 H69D 0.9900 . ?
C70A H70A 0.9800 . ?
C70A H70B 0.9800 . ?
C70A H70C 0.9800 . ?
C70B H70D 0.9800 . ?
C70B H70E 0.9800 . ?
C70B H70F 0.9800 . ?
C71 C72A 1.496(10) . ?
C71 C72B 1.573(8) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C71 H71C 0.9900 . ?
C71 H71D 0.9900 . ?
C72A C73A 1.541(13) . ?
C72A H72A 0.9900 . ?
C72A H72B 0.9900 . ?
C73A C74 1.589(12) . ?
C73A H73A 0.9900 . ?
C73A H73B 0.9900 . ?
C72B C73B 1.524(19) . ?
C72B H72C 0.9900 . ?
C72B H72D 0.9900 . ?
C73B C74 1.468(16) . ?
C73B H73C 0.9900 . ?
C73B H73D 0.9900 . ?
C74 C75 1.524(10) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C74 H74C 0.9900 . ?
C74 H74D 0.9900 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C77 1.519(7) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.524(7) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.518(8) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C80 1.538(10) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
N5 C86 1.521(6) . ?
N5 C96 1.521(7) . ?
N5 C91 1.522(6) . ?
N5 C81 1.537(6) . ?
C81 C82 1.533(7) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.533(7) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.531(7) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 C85 1.518(8) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 C87 1.535(7) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C88 1.521(7) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 C89 1.528(8) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C90 1.517(9) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C92 1.509(8) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.528(9) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.515(12) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95B 1.13(2) . ?
C94 C95A 1.469(19) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C94 H94C 0.9900 . ?
C94 H94D 0.9900 . ?
C95A H95A 0.9800 . ?
C95A H95B 0.9800 . ?
C95A H95C 0.9800 . ?
C95B H95D 0.9800 . ?
C95B H95E 0.9800 . ?
C95B H95F 0.9800 . ?
C96 C97 1.528(7) . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C97 C98 1.520(8) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 C99 1.534(8) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C100 1.498(10) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 H100A 0.9800 . ?
C100 H100B 0.9800 . ?
C100 H100C 0.9800 . ?
N6 C106 1.513(6) . ?
N6 C101 1.522(6) . ?
N6 C116 1.528(6) . ?
N6 C111 1.533(6) . ?
C101 C102 1.518(7) . ?
C101 H101A 0.9900 . ?
C101 H101B 0.9900 . ?
C102 C103 1.539(7) . ?
C102 H102A 0.9900 . ?
C102 H102B 0.9900 . ?
C103 C104 1.519(8) . ?
C103 H103A 0.9900 . ?
C103 H103B 0.9900 . ?
C104 C105 1.505(9) . ?
C104 H104A 0.9900 . ?
C104 H104B 0.9900 . ?
C105 H105A 0.9800 . ?
C105 H105B 0.9800 . ?
C105 H105C 0.9800 . ?
C106 C107 1.510(7) . ?
C106 H106A 0.9900 . ?
C106 H106B 0.9900 . ?
C107 C108 1.526(7) . ?
C107 H107A 0.9900 . ?
C107 H107B 0.9900 . ?
C108 C109 1.499(8) . ?
C108 H108A 0.9900 . ?
C108 H108B 0.9900 . ?
C109 C110 1.491(9) . ?
C109 H109A 0.9900 . ?
C109 H109B 0.9900 . ?
C110 H110A 0.9800 . ?
C110 H110B 0.9800 . ?
C110 H110C 0.9800 . ?
C111 C112 1.528(6) . ?
C111 H111A 0.9900 . ?
C111 H111B 0.9900 . ?
C112 C113 1.543(6) . ?
C112 H112A 0.9900 . ?
C112 H112B 0.9900 . ?
C113 C114 1.526(7) . ?
C113 H113A 0.9900 . ?
C113 H113B 0.9900 . ?
C114 C115 1.519(7) . ?
C114 H114A 0.9900 . ?
C114 H114B 0.9900 . ?
C115 H115A 0.9800 . ?
C115 H115B 0.9800 . ?
C115 H115C 0.9800 . ?
C116 C117 1.522(7) . ?
C116 H116A 0.9900 . ?
C116 H116B 0.9900 . ?
C117 C118 1.531(8) . ?
C117 H117A 0.9900 . ?
C117 H117B 0.9900 . ?
C118 C119B 1.46(3) . ?
C118 C119A 1.482(10) . ?
C118 H118A 0.9900 . ?
C118 H118B 0.9900 . ?
C118 H118C 0.9900 . ?
C118 H118D 0.9900 . ?
C119A C120A 1.553(13) . ?
C119A H119A 0.9900 . ?
C119A H119B 0.9900 . ?
C120A H120A 0.9800 . ?
C120A H120B 0.9800 . ?
C120A H120C 0.9800 . ?
C119B C120B 1.54(4) . ?
C119B H119C 0.9900 . ?
C119B H119D 0.9900 . ?
C120B H120D 0.9800 . ?
C120B H120E 0.9800 . ?
C120B H120F 0.9800 . ?
N7 C131 1.510(7) . ?
N7 C121 1.523(7) . ?
N7 C126 1.530(8) . ?
N7 C136 1.536(8) . ?
C121 C122 1.498(8) . ?
C121 H121A 0.9900 . ?
C121 H121B 0.9900 . ?
C122 C123 1.551(8) . ?
C122 H122A 0.9900 . ?
C122 H122B 0.9900 . ?
C123 C124 1.527(10) . ?
C123 H123A 0.9900 . ?
C123 H123B 0.9900 . ?
C124 C125 1.443(12) . ?
C124 H124A 0.9900 . ?
C124 H124B 0.9900 . ?
C125 H125A 0.9800 . ?
C125 H125B 0.9800 . ?
C125 H125C 0.9800 . ?
C126 C127 1.526(9) . ?
C126 H126A 0.9900 . ?
C126 H126B 0.9900 . ?
C127 C128 1.522(11) . ?
C127 H127A 0.9900 . ?
C127 H127B 0.9900 . ?
C128 C129 1.538(13) . ?
C128 H128A 0.9900 . ?
C128 H128B 0.9900 . ?
C129 C130 1.393(15) . ?
C129 H129A 0.9900 . ?
C129 H129B 0.9900 . ?
C130 H130A 0.9800 . ?
C130 H130B 0.9800 . ?
C130 H130C 0.9800 . ?
C131 C132 1.502(9) . ?
C131 H131A 0.9900 . ?
C131 H131B 0.9900 . ?
C132 C133 1.493(10) . ?
C132 H132A 0.9900 . ?
C132 H132B 0.9900 . ?
C133 C134 1.499(10) . ?
C133 H133A 0.9900 . ?
C133 H133B 0.9900 . ?
C134 C135 1.474(11) . ?
C134 H134A 0.9900 . ?
C134 H134B 0.9900 . ?
C135 H135A 0.9800 . ?
C135 H135B 0.9800 . ?
C135 H135C 0.9800 . ?
C136 C137 1.527(9) . ?
C136 H136A 0.9900 . ?
C136 H136B 0.9900 . ?
C137 C138 1.550(10) . ?
C137 H137A 0.9900 . ?
C137 H137B 0.9900 . ?
C138 C139 1.460(11) . ?
C138 H138A 0.9900 . ?
C138 H138B 0.9900 . ?
C139 C140 1.550(13) . ?
C139 H139A 0.9900 . ?
C139 H139B 0.9900 . ?
C140 H140A 0.9800 . ?
C140 H140B 0.9800 . ?
C140 H140C 0.9800 . ?
N8 C156 1.520(7) . ?
N8 C141 1.522(6) . ?
N8 C151 1.525(7) . ?
N8 C146 1.530(6) . ?
C141 C142 1.517(7) . ?
C141 H141A 0.9900 . ?
C141 H141B 0.9900 . ?
C142 C143 1.525(8) . ?
C142 H142A 0.9900 . ?
C142 H142B 0.9900 . ?
C143 C144 1.538(9) . ?
C143 H143A 0.9900 . ?
C143 H143B 0.9900 . ?
C144 C145 1.529(10) . ?
C144 H144A 0.9900 . ?
C144 H144B 0.9900 . ?
C145 H145A 0.9800 . ?
C145 H145B 0.9800 . ?
C145 H145C 0.9800 . ?
C146 C147 1.525(7) . ?
C146 H146A 0.9900 . ?
C146 H146B 0.9900 . ?
C147 C148 1.521(8) . ?
C147 H147A 0.9900 . ?
C147 H147B 0.9900 . ?
C148 C149 1.493(8) . ?
C148 H148A 0.9900 . ?
C148 H148B 0.9900 . ?
C149 C150 1.553(10) . ?
C149 H149A 0.9900 . ?
C149 H149B 0.9900 . ?
C150 H150A 0.9800 . ?
C150 H150B 0.9800 . ?
C150 H150C 0.9800 . ?
C151 C152 1.518(8) . ?
C151 H151A 0.9900 . ?
C151 H151B 0.9900 . ?
C152 C153 1.520(9) . ?
C152 H152A 0.9900 . ?
C152 H152B 0.9900 . ?
C153 C154 1.540(9) . ?
C153 H153A 0.9900 . ?
C153 H153B 0.9900 . ?
C154 C155 1.524(11) . ?
C154 H154A 0.9900 . ?
C154 H154B 0.9900 . ?
C155 H155A 0.9800 . ?
C155 H155B 0.9800 . ?
C155 H155C 0.9800 . ?
C156 C157 1.540(8) . ?
C156 H156A 0.9900 . ?
C156 H156B 0.9900 . ?
C157 C158 1.512(10) . ?
C157 H157A 0.9900 . ?
C157 H157B 0.9900 . ?
C158 C159 1.542(11) . ?
C158 H158A 0.9900 . ?
C158 H158B 0.9900 . ?
C159 C160B 1.31(2) . ?
C159 C160A 1.55(2) . ?
C159 H159A 0.9900 . ?
C159 H159B 0.9900 . ?
C159 H159C 0.9900 . ?
C159 H159D 0.9900 . ?
C160A H160A 0.9800 . ?
C160A H160B 0.9800 . ?
C160A H160C 0.9800 . ?
C160B H160D 0.9800 . ?
C160B H160E 0.9800 . ?
C160B H160F 0.9800 . ?
N9 C176 1.512(6) . ?
N9 C166 1.517(7) . ?
N9 C161 1.532(6) . ?
N9 C171 1.534(6) . ?
C161 C162 1.523(6) . ?
C161 H161A 0.9900 . ?
C161 H161B 0.9900 . ?
C162 C163 1.535(6) . ?
C162 H162A 0.9900 . ?
C162 H162B 0.9900 . ?
C163 C164 1.534(6) . ?
C163 H163A 0.9900 . ?
C163 H163B 0.9900 . ?
C164 C165 1.521(7) . ?
C164 H164A 0.9900 . ?
C164 H164B 0.9900 . ?
C165 H165A 0.9800 . ?
C165 H165B 0.9800 . ?
C165 H165C 0.9800 . ?
C166 C167 1.517(7) . ?
C166 H166A 0.9900 . ?
C166 H166B 0.9900 . ?
C167 C168 1.513(8) . ?
C167 H167A 0.9900 . ?
C167 H167B 0.9900 . ?
C168 C169 1.469(10) . ?
C168 H168A 0.9900 . ?
C168 H168B 0.9900 . ?
C169 C170 1.543(15) . ?
C169 H169A 0.9900 . ?
C169 H169B 0.9900 . ?
C170 H170A 0.9800 . ?
C170 H170B 0.9800 . ?
C170 H170C 0.9800 . ?
C171 C172 1.513(7) . ?
C171 H171A 0.9900 . ?
C171 H171B 0.9900 . ?
C172 C173 1.549(7) . ?
C172 H172A 0.9900 . ?
C172 H172B 0.9900 . ?
C173 C174 1.526(8) . ?
C173 H173A 0.9900 . ?
C173 H173B 0.9900 . ?
C174 C175 1.513(8) . ?
C174 H174A 0.9900 . ?
C174 H174B 0.9900 . ?
C175 H175A 0.9800 . ?
C175 H175B 0.9800 . ?
C175 H175C 0.9800 . ?
C176 C177 1.495(7) . ?
C176 H176A 0.9900 . ?
C176 H176B 0.9900 . ?
C177 C178A 1.512(9) . ?
C177 C178B 1.67(2) . ?
C177 H177A 0.9900 . ?
C177 H177B 0.9900 . ?
C177 H177C 0.9900 . ?
C177 H177D 0.9900 . ?
C178A C179A 1.537(11) . ?
C178A H178A 0.9900 . ?
C178A H178B 0.9900 . ?
C179A C180A 1.454(14) . ?
C179A H179A 0.9900 . ?
C179A H179B 0.9900 . ?
C180A H180A 0.9800 . ?
C180A H180B 0.9800 . ?
C180A H180C 0.9800 . ?
C178B C179B 1.47(4) . ?
C178B H178C 0.9900 . ?
C178B H178D 0.9900 . ?
C179B C180B 1.58(3) . ?
C179B H179C 0.9900 . ?
C179B H179D 0.9900 . ?
C180B H180D 0.9800 . ?
C180B H180E 0.9800 . ?
C180B H180F 0.9800 . ?
N10 C181 1.508(7) . ?
N10 C196 1.516(7) . ?
N10 C186 1.536(7) . ?
N10 C191 1.539(7) . ?
C181 C182 1.518(8) . ?
C181 H181A 0.9900 . ?
C181 H181B 0.9900 . ?
C182 C183 1.507(9) . ?
C182 H182A 0.9900 . ?
C182 H182B 0.9900 . ?
C183 C184 1.531(10) . ?
C183 H183A 0.9900 . ?
C183 H183B 0.9900 . ?
C184 C185 1.482(11) . ?
C184 H184A 0.9900 . ?
C184 H184B 0.9900 . ?
C185 H185A 0.9800 . ?
C185 H185B 0.9800 . ?
C185 H185C 0.9800 . ?
C186 C187 1.532(9) . ?
C186 H186A 0.9900 . ?
C186 H186B 0.9900 . ?
C187 C188A 1.405(14) . ?
C187 C188B 1.565(9) . ?
C187 H187A 0.9900 . ?
C187 H187B 0.9900 . ?
C187 H187C 0.9900 . ?
C187 H187D 0.9900 . ?
C188A C189A 1.476(18) . ?
C188A H188A 0.9900 . ?
C188A H188B 0.9900 . ?
C189A C190A 1.52(2) . ?
C189A H189A 0.9900 . ?
C189A H189B 0.9900 . ?
C190A H190A 0.9800 . ?
C190A H190B 0.9800 . ?
C190A H190C 0.9800 . ?
C188B C189B 1.58(3) . ?
C188B H188C 0.9900 . ?
C188B H188D 0.9900 . ?
C189B C190B 1.45(3) . ?
C189B H189C 0.9900 . ?
C189B H189D 0.9900 . ?
C190B H190D 0.9800 . ?
C190B H190E 0.9800 . ?
C190B H190F 0.9800 . ?
C191 C192 1.521(8) . ?
C191 H191A 0.9900 . ?
C191 H191B 0.9900 . ?
C192 C193 1.560(9) . ?
C192 H192A 0.9900 . ?
C192 H192B 0.9900 . ?
C193 C194 1.483(9) . ?
C193 H193A 0.9900 . ?
C193 H193B 0.9900 . ?
C194 C195 1.513(10) . ?
C194 H194A 0.9900 . ?
C194 H194B 0.9900 . ?
C195 H195A 0.9800 . ?
C195 H195B 0.9800 . ?
C195 H195C 0.9800 . ?
C196 C197 1.524(8) . ?
C196 H196A 0.9900 . ?
C196 H196B 0.9900 . ?
C197 C198 1.525(8) . ?
C197 H197A 0.9900 . ?
C197 H197B 0.9900 . ?
C198 C199 1.516(8) . ?
C198 H198A 0.9900 . ?
C198 H198B 0.9900 . ?
C199 C200 1.528(9) . ?
C199 H199A 0.9900 . ?
C199 H199B 0.9900 . ?
C200 H200A 0.9800 . ?
C200 H200B 0.9800 . ?
C200 H200C 0.9800 . ?
N11 C216A 1.227(14) . ?
N11 C211 1.519(11) . ?
N11 C201A 1.535(8) . ?
N11 C206 1.535(9) . ?
N11 C201B 1.554(8) . ?
N11 C216B 1.793(13) . ?
C201A C202A 1.525(14) . ?
C201A H201A 0.9900 . ?
C201A H201B 0.9900 . ?
C202A C203A 1.533(16) . ?
C202A H202A 0.9900 . ?
C202A H202B 0.9900 . ?
C203A C204 1.594(15) . ?
C203A H203A 0.9900 . ?
C203A H203B 0.9900 . ?
C201B C202B 1.544(18) . ?
C201B H201C 0.9900 . ?
C201B H201D 0.9900 . ?
C202B C203B 1.54(3) . ?
C202B H202C 0.9900 . ?
C202B H202D 0.9900 . ?
C203B C204 1.49(2) . ?
C203B H203C 0.9900 . ?
C203B H203D 0.9900 . ?
C204 C205B 1.31(3) . ?
C204 C205A 1.51(2) . ?
C204 H204A 0.9900 . ?
C204 H204B 0.9900 . ?
C204 H204C 0.9900 . ?
C204 H204D 0.9900 . ?
C205A H205A 0.9800 . ?
C205A H205B 0.9800 . ?
C205A H205C 0.9800 . ?
C205B H205D 0.9800 . ?
C205B H205E 0.9800 . ?
C205B H205F 0.9800 . ?
C206 C207 1.512(9) . ?
C206 H206A 0.9900 . ?
C206 H206B 0.9900 . ?
C207 C208 1.531(8) . ?
C207 H207A 0.9900 . ?
C207 H207B 0.9900 . ?
C208 C209A 1.492(10) . ?
C208 C209B 1.550(10) . ?
C208 H208A 0.9900 . ?
C208 H208B 0.9900 . ?
C208 H208C 0.9900 . ?
C208 H208D 0.9900 . ?
C209A C210A 1.541(15) . ?
C209A H209C 0.9900 . ?
C209A H209D 0.9900 . ?
C210A H210D 0.9800 . ?
C210A H210E 0.9800 . ?
C210A H210F 0.9800 . ?
C209B C210B 1.49(4) . ?
C209B H209A 0.9900 . ?
C209B H209B 0.9900 . ?
C210B H210A 0.9800 . ?
C210B H210B 0.9800 . ?
C210B H210C 0.9800 . ?
C211 C212A 1.351(14) . ?
C211 C212B 1.583(9) . ?
C211 H211A 0.9900 . ?
C211 H211B 0.9900 . ?
C211 H211C 0.9900 . ?
C211 H211D 0.9900 . ?
C212A C213A 1.668(19) . ?
C212A H212A 0.9900 . ?
C212A H212B 0.9900 . ?
C213A C214 1.578(9) . ?
C213A H213A 0.9900 . ?
C213A H213B 0.9900 . ?
C212B C213B 1.50(2) . ?
C212B H212C 0.9900 . ?
C212B H212D 0.9900 . ?
C213B C214 1.277(17) . ?
C213B H213C 0.9900 . ?
C213B H213D 0.9900 . ?
C214 C215A 1.313(19) . ?
C214 C215B 1.570(9) . ?
C214 H214A 0.9900 . ?
C214 H214B 0.9900 . ?
C214 H214C 0.9900 . ?
C214 H214D 0.9900 . ?
C215A H215A 0.9800 . ?
C215A H215B 0.9800 . ?
C215A H215C 0.9800 . ?
C215B H215D 0.9800 . ?
C215B H215E 0.9800 . ?
C215B H215F 0.9800 . ?
C216A C217A 1.523(17) . ?
C216A H216A 0.9900 . ?
C216A H216B 0.9900 . ?
C217A C218A 1.519(19) . ?
C217A H217A 0.9900 . ?
C217A H217B 0.9900 . ?
C218A C219A 1.51(2) . ?
C218A H218A 0.9900 . ?
C218A H218B 0.9900 . ?
C219A C220 1.364(19) . ?
C219A H219A 0.9900 . ?
C219A H219B 0.9900 . ?
C216B C217B 1.517(14) . ?
C216B H216C 0.9900 . ?
C216B H216D 0.9900 . ?
C217B C218B 1.546(16) . ?
C217B H217C 0.9900 . ?
C217B H217D 0.9900 . ?
C218B C219B 1.515(17) . ?
C218B H218C 0.9900 . ?
C218B H218D 0.9900 . ?
C219B C220 1.351(16) . ?
C219B H219C 0.9900 . ?
C219B H219D 0.9900 . ?
C220 H220A 0.9800 . ?
C220 H220B 0.9800 . ?
C220 H220C 0.9800 . ?
C220 H220D 0.9800 . ?
C220 H220E 0.9800 . ?
C220 H220F 0.9800 . ?
N12 C231B 1.493(10) . ?
N12 C221 1.517(8) . ?
N12 C226A 1.525(10) . ?
N12 C226B 1.554(8) . ?
N12 C231A 1.563(8) . ?
N12 C236 1.565(10) . ?
C221 C222 1.510(9) . ?
C221 H221A 0.9900 . ?
C221 H221B 0.9900 . ?
C222 C223 1.523(9) . ?
C222 H222A 0.9900 . ?
C222 H222B 0.9900 . ?
C223 C224 1.513(9) . ?
C223 H223A 0.9900 . ?
C223 H223B 0.9900 . ?
C224 C225 1.504(10) . ?
C224 H224A 0.9900 . ?
C224 H224B 0.9900 . ?
C225 H225A 0.9800 . ?
C225 H225B 0.9800 . ?
C225 H225C 0.9800 . ?
C226A C227 1.508(10) . ?
C226A H226A 0.9900 . ?
C226A H226B 0.9900 . ?
C226B C227 1.631(16) . ?
C226B H226C 0.9900 . ?
C226B H226D 0.9900 . ?
C227 C228 1.525(8) . ?
C227 H227A 0.9900 . ?
C227 H227B 0.9900 . ?
C227 H227C 0.9900 . ?
C227 H227D 0.9900 . ?
C228 C229 1.501(8) . ?
C228 H228A 0.9900 . ?
C228 H228B 0.9900 . ?
C229 C230 1.526(9) . ?
C229 H229A 0.9900 . ?
C229 H229B 0.9900 . ?
C230 H230A 0.9800 . ?
C230 H230B 0.9800 . ?
C230 H230C 0.9800 . ?
C231A C232A 1.57(2) . ?
C231A H231A 0.9900 . ?
C231A H231B 0.9900 . ?
C232A C233A 1.50(2) . ?
C232A H232A 0.9900 . ?
C232A H232B 0.9900 . ?
C233A C234A 1.49(3) . ?
C233A H233A 0.9900 . ?
C233A H233B 0.9900 . ?
C234A C235A 1.52(3) . ?
C234A H234A 0.9900 . ?
C234A H234B 0.9900 . ?
C235A H235A 0.9800 . ?
C235A H235B 0.9800 . ?
C235A H235C 0.9800 . ?
C231B C232B 1.517(16) . ?
C231B H231C 0.9900 . ?
C231B H231D 0.9900 . ?
C232B C233B 1.468(19) . ?
C232B H232C 0.9900 . ?
C232B H232D 0.9900 . ?
C233B C234B 1.49(2) . ?
C233B H233C 0.9900 . ?
C233B H233D 0.9900 . ?
C234B C235B 1.28(4) . ?
C234B H234C 0.9900 . ?
C234B H234D 0.9900 . ?
C235B H235D 0.9800 . ?
C235B H235E 0.9800 . ?
C235B H235F 0.9800 . ?
C236 C237B 1.390(16) . ?
C236 C237A 1.599(12) . ?
C236 H236A 0.9900 . ?
C236 H236B 0.9900 . ?
C236 H236C 0.9900 . ?
C236 H236D 0.9900 . ?
C237A C238A 1.538(13) . ?
C237A H237A 0.9900 . ?
C237A H237B 0.9900 . ?
C238A C239A 1.504(15) . ?
C238A H238A 0.9900 . ?
C238A H238B 0.9900 . ?
C239A C240A 1.528(15) . ?
C239A H239A 0.9900 . ?
C239A H239B 0.9900 . ?
C240A H240A 0.9800 . ?
C240A H240B 0.9800 . ?
C240A H240C 0.9800 . ?
C237B C238B 1.55(2) . ?
C237B H237C 0.9900 . ?
C237B H237D 0.9900 . ?
C238B C239B 1.52(3) . ?
C238B H238C 0.9900 . ?
C238B H238D 0.9900 . ?
C239B C240B 1.46(3) . ?
C239B H239C 0.9900 . ?
C239B H239D 0.9900 . ?
C240B H240D 0.9800 . ?
C240B H240E 0.9800 . ?
C240B H240F 0.9800 . ?
