# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20181018liuduanwu_chon_0m
_database_code_depnum_ccdc_archive 'CCDC 2045205'
loop_
_audit_author_name
_audit_author_address
'Duan-Wu Liu'
;Lanzhou University
China
;
_audit_update_record             
;
2020-11-18 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;
_audit_creation_date             2018-11-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        syn-B2IPIO
_chemical_formula_moiety         'C82 H98 N4 O6'
_chemical_formula_sum            'C82 H98 N4 O6'
_chemical_formula_weight         1235.64
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   12.0514(5)
_cell_length_b                   19.5147(8)
_cell_length_c                   22.9546(9)
_cell_angle_alpha                83.729(2)
_cell_angle_beta                 76.635(2)
_cell_angle_gamma                87.245(2)
_cell_volume                     5219.4(4)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    9566
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      61.163
_cell_measurement_theta_min      2.869
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.904
_exptl_absorpt_coefficient_mu    0.572
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1998
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1257
_diffrn_reflns_av_unetI/netI     0.0862
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            41888
_diffrn_reflns_point_group_measured_fraction_full 0.856
_diffrn_reflns_point_group_measured_fraction_max 0.856
_diffrn_reflns_theta_full        61.160
_diffrn_reflns_theta_max         61.160
_diffrn_reflns_theta_min         2.278
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.721
_reflns_Friedel_fraction_full    0.717
_reflns_Friedel_fraction_max     0.717
_reflns_number_gt                18925
_reflns_number_total             27445
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.310
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.1(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2543
_refine_ls_number_reflns         27445
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.1327
_refine_ls_R_factor_gt           0.0972
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1762P)²+4.3619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2505
_refine_ls_wR_factor_ref         0.2982
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C1BA) \\sim Ueq, Uanis(C2BA) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C13) \\sim Ueq, Uanis(C249) \\sim Ueq, Uanis(C297) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C244) \\sim Ueq, Uanis(C209) \\sim Ueq, Uanis(C238) \\sim Ueq,
Uanis(C202) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: H1AC(0.45) H1AD(0.45) H1AA(0.55) H1AB(0.55) C6BA(0.45) H6BA(0.45)
 H6BB(0.45) H6BC(0.45) C7BA(0.55) H7BA(0.55) H7BB(0.55) H7BC(0.55)
4.a Secondary CH2 refined with riding coordinates:
 C87(H87A,H87B), C97(H97A,H97B), C98(H98A,H98B), C107(H10A,H10B), C111(H11H,
 H11I), C115(H11A,H11B), C119(H11C,H11D), C122(H12A,H12B), C130(H13H,H13I),
 C131(H13A,H13B), C132(H13J,H13K), C138(H13C,H13D), C141(H14A,H14B), C142(H14J,
 H14K), C145(H14F,H14G), C148(H14L,H14M), C149(H14H,H14I), C150(H15A,H15B),
 C159(H15F,H15G), C163(H16F,H16G), C166(H16A,H16B), C168(H16H,H16I), C170(H17C,
 H17D), C173(H17E,H17F), C174(H17O,H17P), C175(H17G,H17H), C178(H17A,H17B),
 C183(H18D,H18E), C187(H18I,H18J), C191(H19C,H19D), C194(H19E,H19F), C195(H19A,
 H19B), C196(H19G,H19H), C200(H20E,H20F), C201(H20A,H20B), C204(H20C,H20D),
 C209(H20P,H20Q), C211(H21I,H21J), C213(H21K,H21L), C215(H21M,H21N), C217(H21D,
 H21E), C220(H22I,H22J), C224(H22A,H22B), C231(H23A,H23B), C244(H24P,H24Q),
 C246(H24R,H24S), C252(H25A,H25B), C261(H26D,H26E), C263(H26I,H26J), C267(H26K,
 H26L), C271(H27G,H27H), C292(H29D,H29E), C293(H29F,H29G), C1AA(H1AC,H1AD),
 C1AA(H1AA,H1AB), C5AA(H5AA,H5AB), C0AA(H0AA,H0AB), C7AA(H7AA,H7AB), C6AA(H6AA,
 H6AB), C0BA(H0BA,H0BB), C2BA(H2BA,H2BB)
4.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C8(H8), C16(H16), C28(H28), C39(H39), C45(H45), C48(H48), C56(H56),
 C60(H60), C62(H62), C69(H69), C75(H75), C76(H76), C85(H85), C103(H103),
 C114(H114), C116(H116), C118(H118), C121(H121), C147(H147), C164(H164),
 C167(H167), C180(H180), C188(H188), C199(H199), C210(H210), C212(H212),
 C232(H232), C235(H235), C239(H239)
4.c Idealised Me refined as rotating group:
 C112(H11E,H11F,H11G), C139(H13E,H13F,H13G), C144(H14C,H14D,H14E), C155(H15C,
 H15D,H15E), C158(H15H,H15I,H15J), C162(H16C,H16D,H16E), C171(H17L,H17M,H17N),
 C176(H17Q,H17R,H17S), C179(H17I,H17J,H17K), C181(H18A,H18B,H18C), C186(H18F,
 H18G,H18H), C202(H20G,H20H,H20I), C203(H20M,H20N,H20O), C208(H20J,H20K,H20L),
 C216(H21A,H21B,H21C), C221(H22C,H22D,H22E), C226(H22F,H22G,H22H), C230(H23C,
 H23D,H23E), C237(H23F,H23G,H23H), C238(H23I,H23J,H23K), C240(H24A,H24B,H24C),
 C241(H24G,H24H,H24I), C242(H24M,H24N,H24O), C243(H24J,H24K,H24L), C248(H24D,
 H24E,H24F), C249(H24T,H24U,H24V), C253(H25C,H25D,H25E), C260(H26A,H26B,H26C),
 C262(H26F,H26G,H26H), C274(H27A,H27B,H27C), C275(H27D,H27E,H27F), C290(H29A,
 H29B,H29C), C297(H29H,H29I,H29J), C309(H30A,H30B,H30C), C311(H31A,H31B,H31C),
 C324(H32A,H32B,H32C), C347(H34A,H34B,H34C), C219(H21F,H21G,H21H), C4AA(H4AA,
 H4AB,H4AC), C2AA(H2AA,H2AB,H2AC), C3AA(H3AA,H3AB,H3AC), C8AA(H8AA,H8AB,H8AC),
 C4BA(H4BA,H4BB,H4BC), C3BA(H3BA,H3BB,H3BC), C13(H13L,H13M,H13N), C1BA(H1BA,
 H1BB,H1BC), C5BA(H5BA,H5BB,H5BC), C6BA(H6BA,H6BB,H6BC), C7BA(H7BA,H7BB,H7BC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.7879(8) -0.1165(5) -0.3042(4) 0.034(2) Uani 1 1 d . . . . .
C2 C -0.0273(9) -0.4873(5) 0.0049(4) 0.037(2) Uani 1 1 d . . . . .
C3 C -0.3206(9) -0.1937(5) -0.3763(5) 0.039(2) Uani 1 1 d . . . . .
C4 C -0.6929(8) -0.2185(5) -0.3513(5) 0.037(2) Uani 1 1 d . . . . .
C5 C -0.5402(9) -0.4591(5) -0.0311(5) 0.039(2) Uani 1 1 d . . . . .
H5 H -0.594996 -0.423402 -0.035445 0.046 Uiso 1 1 calc R . . . .
C6 C -0.4226(8) -0.5563(5) -0.0706(4) 0.035(2) Uani 1 1 d . . . . .
C7 C -0.2181(9) -0.2979(5) -0.4099(5) 0.042(2) Uani 1 1 d . . . . .
C8 C -0.8855(9) -0.0189(6) -0.2563(5) 0.042(2) Uani 1 1 d . . . . .
H8 H -0.936028 0.019902 -0.256995 0.051 Uiso 1 1 calc R . . . .
O9 O -0.9553(6) -0.0766(4) -0.4461(3) 0.0404(16) Uani 1 1 d . . . . .
C10 C 0.0852(8) -0.5880(5) -0.0326(4) 0.035(2) Uani 1 1 d . . . . .
C11 C -0.0409(8) -0.5305(5) -0.0912(4) 0.034(2) Uani 1 1 d . . . . .
O12 O -0.5637(7) -0.5383(4) -0.2219(3) 0.0456(18) Uani 1 1 d . . . . .
O13 O 0.2055(6) -0.6484(4) 0.0293(3) 0.0423(17) Uani 1 1 d . . . . .
C14 C 0.1012(9) -0.5482(5) 0.0632(4) 0.038(2) Uani 1 1 d . . . . .
O15 O -0.0876(7) -0.3548(4) -0.3547(3) 0.052(2) Uani 1 1 d . . . . .
C16 C -0.7577(8) -0.0874(5) -0.2079(5) 0.038(2) Uani 1 1 d . . . . .
H16 H -0.719376 -0.096323 -0.175936 0.046 Uiso 1 1 calc R . . . .
C17 C -0.1954(9) -0.2553(6) -0.3187(5) 0.041(2) Uani 1 1 d . . . . .
C18 C -0.8277(8) -0.1484(5) -0.3980(4) 0.035(2) Uani 1 1 d . . . . .
O19 O 0.5410(5) -1.0115(4) 0.3330(3) 0.0368(15) Uani 1 1 d . . . . .
C20 C -0.4890(8) -0.2493(5) -0.1503(4) 0.036(2) Uani 1 1 d . . . . .
C21 C -0.0780(8) -0.7358(5) 0.0329(4) 0.035(2) Uani 1 1 d . . . . .
O22 O 0.5741(6) -1.1020(4) 0.2413(3) 0.0429(17) Uani 1 1 d . . . . .
O23 O -0.1496(6) -0.2620(4) -0.2676(3) 0.0430(17) Uani 1 1 d . . . . .
C24 C -0.6561(8) -0.1870(5) -0.2569(5) 0.037(2) Uani 1 1 d . . . . .
C25 C 0.4899(8) -1.0004(5) 0.2856(4) 0.037(2) Uani 1 1 d . . . . .
N26 N -0.1167(8) -0.7634(4) -0.0567(4) 0.040(2) Uani 1 1 d . . . . .
N27 N -0.5700(7) -0.1981(4) -0.1635(4) 0.0371(19) Uani 1 1 d . . . . .
C28 C -0.1394(9) -0.3864(5) 0.0430(5) 0.042(2) Uani 1 1 d . . . . .
H28 H -0.191490 -0.349370 0.037905 0.050 Uiso 1 1 calc R . . . .
C29 C 0.3576(9) -0.9279(5) 0.2366(4) 0.037(2) Uani 1 1 d . . . . .
O30 O -0.6227(6) -0.4423(4) -0.1385(3) 0.0413(17) Uani 1 1 d . . . . .
N31 N -0.5253(7) -0.2703(4) -0.2371(4) 0.0375(19) Uani 1 1 d . . . . .
C32 C -1.0046(9) 0.0373(5) -0.7334(5) 0.043(2) Uani 1 1 d . . . . .
C33 C -0.1659(9) -0.3022(5) -0.3583(5) 0.043(2) Uani 1 1 d . . . . .
C34 C -0.3101(8) -0.6579(5) -0.1098(4) 0.038(2) Uani 1 1 d . . . . .
N35 N -0.2581(7) -0.4032(5) -0.1260(4) 0.041(2) Uani 1 1 d . . . . .
C36 C -1.1336(8) 0.1046(5) -0.7851(4) 0.034(2) Uani 1 1 d . . . . .
C37 C -0.1933(9) -0.4624(5) -0.1433(5) 0.037(2) Uani 1 1 d . . . . .
C38 C 0.2254(8) -0.8606(5) 0.1888(5) 0.038(2) Uani 1 1 d . . . . .
C39 C -0.4184(9) -0.0861(6) -0.3446(5) 0.046(3) Uani 1 1 d . . . . .
H39 H -0.469085 -0.048708 -0.350973 0.055 Uiso 1 1 calc R . . . .
O40 O -1.2584(6) 0.1742(4) -0.8397(3) 0.0442(17) Uani 1 1 d . . . . .
C41 C -1.0970(8) 0.1447(5) -0.6943(5) 0.037(2) Uani 1 1 d . . . . .
C42 C -0.9214(8) -0.0462(5) -0.3541(4) 0.034(2) Uani 1 1 d . . . . .
C43 C -0.7444(8) -0.2538(6) -0.4400(5) 0.038(2) Uani 1 1 d . . . . .
C44 C 0.0830(9) -0.6251(5) -0.1308(5) 0.039(2) Uani 1 1 d . . . . .
C45 C -0.0143(9) -0.4464(5) 0.0992(5) 0.042(2) Uani 1 1 d . . . . .
H45 H 0.018065 -0.450419 0.133455 0.050 Uiso 1 1 calc R . . . .
C46 C -0.4607(8) -0.2958(6) -0.1955(4) 0.037(2) Uani 1 1 d . . . . .
C47 C -0.2916(8) -0.6158(5) -0.0154(4) 0.036(2) Uani 1 1 d . . . . .
C48 C -0.4150(9) -0.5158(5) 0.0263(5) 0.037(2) Uani 1 1 d . . . . .
H48 H -0.384023 -0.519417 0.061009 0.045 Uiso 1 1 calc R . . . .
C49 C -0.3405(9) -0.2412(5) -0.4703(5) 0.044(3) Uani 1 1 d . . . . .
C50 C -0.1555(8) -0.4302(5) -0.0535(4) 0.035(2) Uani 1 1 d . . . . .
O51 O 0.0943(6) -0.7602(4) 0.2073(4) 0.0485(19) Uani 1 1 d . . . . .
C52 C -0.5052(8) -0.5025(5) -0.0776(4) 0.036(2) Uani 1 1 d . . . . .
C53 C -0.5483(9) -0.2839(6) -0.2924(5) 0.047(3) Uani 1 1 d . . . . .
C54 C -0.4369(9) -0.5981(6) -0.1664(5) 0.043(2) Uani 1 1 d . . . . .
C55 C -0.1091(9) -0.4329(5) -0.0017(5) 0.036(2) Uani 1 1 d . . . . .
C56 C 0.2770(9) -0.8221(6) 0.2794(5) 0.041(2) Uani 1 1 d . . . . .
H56 H 0.226891 -0.783082 0.279190 0.049 Uiso 1 1 calc R . . . .
C57 C -0.3634(9) -0.3104(6) -0.0979(5) 0.044(3) Uani 1 1 d . . . . .
C58 C -0.2729(8) -0.2004(5) -0.3248(5) 0.041(2) Uani 1 1 d . . . . .
N59 N -0.1578(7) -0.6891(4) 0.0140(4) 0.039(2) Uani 1 1 d . . . . .
C60 C -0.2991(9) -0.1479(6) -0.2853(5) 0.041(2) Uani 1 1 d . . . . .
H60 H -0.269087 -0.152033 -0.250265 0.050 Uiso 1 1 calc R . . . .
C61 C 0.1328(9) -0.5941(5) 0.0204(5) 0.038(2) Uani 1 1 d . . . . .
C62 C -0.4399(9) -0.2563(5) -0.1005(4) 0.038(2) Uani 1 1 d . . . . .
H62 H -0.458238 -0.225409 -0.070255 0.046 Uiso 1 1 calc R . . . .
C63 C -0.7343(9) -0.1307(5) -0.2541(4) 0.038(2) Uani 1 1 d . . . . .
O64 O -0.2190(6) -0.6005(4) 0.0746(3) 0.0432(17) Uani 1 1 d . . . . .
C65 C -0.8654(8) -0.0598(5) -0.3040(4) 0.037(2) Uani 1 1 d . . . . .
O66 O 0.1476(7) -0.5514(4) 0.1130(3) 0.0456(18) Uani 1 1 d . . . . .
O67 O -0.5030(6) -0.3289(4) -0.3223(3) 0.0424(17) Uani 1 1 d . . . . .
C68 C 0.3200(9) -0.9623(5) 0.1419(5) 0.039(2) Uani 1 1 d . . . . .
C69 C -0.3856(9) -0.3502(6) -0.1946(4) 0.040(2) Uani 1 1 d . . . . .
H69 H -0.367266 -0.380422 -0.225378 0.048 Uiso 1 1 calc R . . . .
C70 C 0.0209(8) -0.4939(5) 0.0558(4) 0.036(2) Uani 1 1 d . . . . .
C71 C -0.7621(9) -0.0197(6) -0.5803(5) 0.045(3) Uani 1 1 d . . . . .
N72 N 0.1111(7) -0.8203(4) 0.1241(4) 0.039(2) Uani 1 1 d . . . . .
C73 C -0.5493(9) -0.4961(5) -0.1313(4) 0.037(2) Uani 1 1 d . . . . .
C74 C -0.5180(9) -0.5421(5) -0.1726(4) 0.038(2) Uani 1 1 d . . . . .
C75 C 0.0240(9) -0.8352(5) -0.0104(5) 0.042(2) Uani 1 1 d . . . . .
H75 H 0.041673 -0.865796 -0.040908 0.051 Uiso 1 1 calc R . . . .
C76 C -0.8144(9) -0.1939(5) -0.4415(4) 0.037(2) Uani 1 1 d . . . . .
H76 H -0.853364 -0.184472 -0.473166 0.045 Uiso 1 1 calc R . . . .
O77 O -1.3055(6) 0.2653(4) -0.7501(3) 0.0455(17) Uani 1 1 d . . . . .
C78 C -1.0493(8) -0.0019(5) -0.8219(5) 0.038(2) Uani 1 1 d . . . . .
C79 C 0.3757(9) -0.9736(5) 0.1907(5) 0.038(2) Uani 1 1 d . . . . .
O80 O -0.1977(6) -0.4931(4) -0.1848(3) 0.0430(17) Uani 1 1 d . . . . .
C81 C -0.4437(9) -0.1356(6) -0.4380(5) 0.048(3) Uani 1 1 d . . . . .
C82 C 0.4485(9) -1.0309(5) 0.1921(4) 0.040(2) Uani 1 1 d . . . . .
C83 C 0.4155(8) -0.9412(5) 0.2842(4) 0.036(2) Uani 1 1 d . . . . .
O84 O -0.9935(6) 0.0102(4) -0.3495(3) 0.0467(18) Uani 1 1 d . . . . .
C85 C -1.1905(10) 0.2496(6) -0.6552(5) 0.050(3) Uani 1 1 d . . . . .
H85 H -1.241309 0.287934 -0.657818 0.060 Uiso 1 1 calc R . . . .
C86 C 0.1715(9) -0.8791(6) 0.1031(4) 0.040(2) Uani 1 1 d . . . . .
C87 C -1.0550(10) -0.1442(6) -0.5319(5) 0.048(3) Uani 1 1 d . . . . .
H87A H -1.063099 -0.191410 -0.510968 0.057 Uiso 1 1 calc R . . . .
H87B H -0.972488 -0.134573 -0.544174 0.057 Uiso 1 1 calc R . . . .
C88 C 0.0050(9) -0.5348(5) -0.0395(4) 0.037(2) Uani 1 1 d . . . . .
N89 N -0.2995(7) -0.3288(5) -0.0535(4) 0.044(2) Uani 1 1 d . . . . .
C90 C -0.2609(9) -0.6612(6) -0.0573(5) 0.040(2) Uani 1 1 d . . . . .
C91 C 0.5038(9) -1.0456(5) 0.2419(5) 0.040(2) Uani 1 1 d . . . . .
N92 N 0.1535(8) -0.8938(5) 0.0524(4) 0.045(2) Uani 1 1 d . . . . .
C93 C -0.9676(9) 0.0795(6) -0.6427(5) 0.045(3) Uani 1 1 d . . . . .
C94 C -0.1762(9) -0.7103(5) -0.0381(5) 0.039(2) Uani 1 1 d . . . . .
C95 C -0.8332(9) -0.0330(6) -0.2066(4) 0.040(2) Uani 1 1 d . . . . .
C96 C -0.1253(8) -0.4772(5) -0.0955(4) 0.034(2) Uani 1 1 d . . . . .
C97 C -1.0723(9) -0.1003(6) -0.4315(5) 0.047(3) Uani 1 1 d . . . . .
H97A H -1.121913 -0.071314 -0.402773 0.056 Uiso 1 1 calc R . . . .
H97B H -1.075559 -0.148703 -0.413052 0.056 Uiso 1 1 calc R . . . .
C98 C -1.1014(9) -0.1423(6) -0.5882(5) 0.046(3) Uani 1 1 d . . . . .
H98A H -1.088780 -0.096016 -0.610687 0.055 Uiso 1 1 calc R . . . .
H98B H -1.184772 -0.149145 -0.576064 0.055 Uiso 1 1 calc R . . . .
C99 C -0.7662(8) -0.1605(5) -0.3508(4) 0.034(2) Uani 1 1 d . . . . .
C100 C -0.3887(8) -0.6036(5) -0.1145(4) 0.033(2) Uani 1 1 d . . . . .
N101 N -0.8346(7) -0.0012(5) -0.6179(4) 0.048(2) Uani 1 1 d . . . . .
C102 C -1.2286(8) 0.2117(5) -0.7488(4) 0.035(2) Uani 1 1 d . . . . .
C103 C -0.4024(9) -0.6438(6) -0.2095(5) 0.042(2) Uani 1 1 d . . . . .
H103 H -0.433506 -0.638342 -0.244222 0.050 Uiso 1 1 calc R . . . .
C104 C -0.5505(9) -0.4229(6) 0.0743(5) 0.047(3) Uani 1 1 d . . . . .
C105 C -0.4809(10) -0.1711(6) -0.5262(5) 0.055(3) Uani 1 1 d . . . . .
C106 C -0.0952(9) -0.3936(5) 0.0935(5) 0.041(2) Uani 1 1 d . . . . .
C107 C -1.1109(9) -0.0950(6) -0.4890(5) 0.042(2) Uani 1 1 d . . . . .
H10A H -1.194175 -0.102008 -0.479431 0.051 Uiso 1 1 calc R . . . .
H10B H -1.097197 -0.047579 -0.508944 0.051 Uiso 1 1 calc R . . . .
C108 C -1.2096(8) 0.1665(5) -0.7921(4) 0.036(2) Uani 1 1 d . . . . .
C109 C 0.0454(8) -0.7967(5) 0.0834(4) 0.035(2) Uani 1 1 d . . . . .
C110 C -0.6348(8) -0.2293(5) -0.3024(4) 0.036(2) Uani 1 1 d . . . . .
C111 C -0.8357(11) -0.3245(8) -0.0649(7) 0.071(4) Uani 1 1 d . . . . .
H11H H -0.799594 -0.359102 -0.039822 0.086 Uiso 1 1 calc R . . . .
H11I H -0.918491 -0.333154 -0.055791 0.086 Uiso 1 1 calc R . . . .
C112 C 0.2191(14) -0.7208(8) -0.1673(7) 0.080(5) Uani 1 1 d . . . . .
H11E H 0.281823 -0.697066 -0.158143 0.120 Uiso 1 1 calc GR . . . .
H11F H 0.248733 -0.747474 -0.201659 0.120 Uiso 1 1 calc GR . . . .
H11G H 0.183636 -0.752014 -0.132230 0.120 Uiso 1 1 calc GR . . . .
C113 C -0.2397(11) -0.3463(6) -0.5009(6) 0.060(3) Uani 1 1 d . . . . .
C114 C 0.4059(9) -0.8910(5) 0.3258(5) 0.037(2) Uani 1 1 d . . . . .
H114 H 0.446900 -0.898767 0.356713 0.045 Uiso 1 1 calc R . . . .
C115 C 0.0098(12) -0.2588(9) -0.2245(6) 0.072(4) Uani 1 1 d . . . . .
H11A H 0.084799 -0.237533 -0.229496 0.086 Uiso 1 1 calc R . . . .
H11B H 0.022580 -0.309469 -0.222018 0.086 Uiso 1 1 calc R . . . .
C116 C -1.1178(9) 0.0563(6) -0.8273(5) 0.042(2) Uani 1 1 d . . . . .
H116 H -1.154578 0.063522 -0.859966 0.050 Uiso 1 1 calc R . . . .
C117 C -0.5878(8) -0.2140(5) -0.2131(5) 0.038(2) Uani 1 1 d . . . . .
C118 C -1.0623(9) 0.1852(6) -0.6030(5) 0.047(3) Uani 1 1 d . . . . .
H118 H -1.024472 0.179641 -0.570720 0.057 Uiso 1 1 calc R . . . .
C119 C -1.4392(13) 0.4752(6) -0.7229(6) 0.067(3) Uani 1 1 d . . . . .
H11C H -1.418233 0.508850 -0.758927 0.080 Uiso 1 1 calc R . . . .
H11D H -1.516849 0.459288 -0.721068 0.080 Uiso 1 1 calc R . . . .
C120 C 0.3433(10) -0.7731(6) 0.3631(6) 0.053(3) Uani 1 1 d . . . . .
C121 C -0.0296(8) -0.7403(5) 0.0815(5) 0.037(2) Uani 1 1 d . . . . .
H121 H -0.045398 -0.708278 0.110873 0.045 Uiso 1 1 calc R . . . .
C122 C 0.6415(10) -0.9437(6) 0.4176(5) 0.047(3) Uani 1 1 d . . . . .
H12A H 0.650734 -0.897398 0.394954 0.056 Uiso 1 1 calc R . . . .
H12B H 0.558845 -0.952825 0.430167 0.056 Uiso 1 1 calc R . . . .
C123 C -0.2931(9) -0.2446(5) -0.4183(4) 0.039(2) Uani 1 1 d . . . . .
C124 C -0.3372(9) -0.3575(5) -0.1433(5) 0.038(2) Uani 1 1 d . . . . .
C125 C -0.8585(10) 0.0160(6) -0.1560(5) 0.052(3) Uani 1 1 d . . . . .
O126 O -0.8230(7) -0.0724(4) -0.6962(4) 0.060(2) Uani 1 1 d . . . . .
C127 C -0.4983(9) -0.4663(5) 0.0204(5) 0.040(2) Uani 1 1 d . . . . .
C128 C -0.3749(9) -0.5612(5) -0.0182(5) 0.038(2) Uani 1 1 d . . . . .
C129 C -0.2400(8) -0.3831(5) -0.0717(4) 0.038(2) Uani 1 1 d . . . . .
C130 C -1.0471(13) -0.1967(8) -0.6301(6) 0.071(4) Uani 1 1 d . . . . .
H13H H -0.965167 -0.187005 -0.646003 0.085 Uiso 1 1 calc R . . . .
H13I H -1.052819 -0.242739 -0.606860 0.085 Uiso 1 1 calc R . . . .
C131 C -1.3750(9) 0.1540(6) -0.8283(5) 0.046(3) Uani 1 1 d . . . . .
H13A H -1.421029 0.176328 -0.793595 0.055 Uiso 1 1 calc R . . . .
H13B H -1.379855 0.103441 -0.818518 0.055 Uiso 1 1 calc R . . . .
C132 C -0.8051(11) -0.3997(6) -0.1509(7) 0.059(3) Uani 1 1 d . . . . .
H13J H -0.888047 -0.407889 -0.139301 0.071 Uiso 1 1 calc R . . . .
H13K H -0.781297 -0.397626 -0.195335 0.071 Uiso 1 1 calc R . . . .
C134 C -1.0441(10) -0.0587(6) -0.8641(6) 0.053(3) Uani 1 1 d . . . . .
C135 C -0.3242(9) -0.6972(5) -0.2041(5) 0.042(2) Uani 1 1 d . . . . .
C136 C -0.1352(10) -0.3468(6) 0.1446(5) 0.052(3) Uani 1 1 d . . . . .
C137 C -1.1736(9) 0.2034(5) -0.6993(5) 0.040(2) Uani 1 1 d . . . . .
C138 C -1.3500(13) 0.3801(7) -0.7871(6) 0.070(4) Uani 1 1 d . . . . .
H13C H -1.427388 0.365090 -0.786981 0.084 Uiso 1 1 calc R . . . .
H13D H -1.327590 0.415348 -0.821842 0.084 Uiso 1 1 calc R . . . .
C139 C -0.9605(13) -0.1170(7) -0.8544(7) 0.073(4) Uani 1 1 d . . . . .
H13E H -0.882605 -0.099733 -0.866341 0.110 Uiso 1 1 calc GR . . . .
H13F H -0.967660 -0.153969 -0.878883 0.110 Uiso 1 1 calc GR . . . .
H13G H -0.977081 -0.134871 -0.811833 0.110 Uiso 1 1 calc GR . . . .
C141 C -1.3561(11) 0.4134(6) -0.7305(6) 0.065(3) Uani 1 1 d . . . . .
H14A H -1.279060 0.428713 -0.730381 0.078 Uiso 1 1 calc R . . . .
H14B H -1.379379 0.378566 -0.695523 0.078 Uiso 1 1 calc R . . . .
C142 C -0.7437(9) -0.4599(6) -0.1241(5) 0.047(3) Uani 1 1 d . . . . .
H14J H -0.773300 -0.467029 -0.079933 0.056 Uiso 1 1 calc R . . . .
H14K H -0.754165 -0.502560 -0.141627 0.056 Uiso 1 1 calc R . . . .
N143 N -0.8642(7) 0.0823(4) -0.5558(4) 0.0465(19) Uani 1 1 d . . . . .
C144 C -1.0120(12) -0.0276(6) -0.9309(5) 0.064(3) Uani 1 1 d . . . . .
H14C H -1.067477 0.008948 -0.937944 0.095 Uiso 1 1 calc GR . . . .
H14D H -1.012735 -0.063834 -0.957244 0.095 Uiso 1 1 calc GR . . . .
H14E H -0.935647 -0.008357 -0.939735 0.095 Uiso 1 1 calc GR . . . .
C145 C 0.1479(16) -0.5987(8) 0.2113(6) 0.083(5) Uani 1 1 d . . . . .
H14F H 0.232011 -0.603287 0.198787 0.100 Uiso 1 1 calc R . . . .
H14G H 0.121267 -0.638045 0.241567 0.100 Uiso 1 1 calc R . . . .
C146 C -0.3819(10) -0.0313(6) -0.2543(5) 0.050(3) Uani 1 1 d . . . . .
C147 C -0.2777(9) -0.7031(5) -0.1533(5) 0.042(2) Uani 1 1 d . . . . .
H147 H -0.222976 -0.738709 -0.148689 0.050 Uiso 1 1 calc R . . . .
C148 C 0.7003(10) -0.9978(7) 0.3760(5) 0.050(3) Uani 1 1 d . . . . .
H14L H 0.783820 -0.991554 0.366504 0.060 Uiso 1 1 calc R . . . .
H14M H 0.684550 -1.044454 0.397186 0.060 Uiso 1 1 calc R . . . .
C149 C 0.3693(10) -0.7608(6) 0.0205(6) 0.054(3) Uani 1 1 d . . . . .
H14H H 0.400420 -0.797512 0.045939 0.065 Uiso 1 1 calc R . . . .
H14I H 0.286191 -0.767585 0.027779 0.065 Uiso 1 1 calc R . . . .
C150 C -1.2706(15) 0.3202(7) -0.7968(7) 0.082(5) Uani 1 1 d . . . . .
H15A H -1.269361 0.304082 -0.836386 0.098 Uiso 1 1 calc R . . . .
H15B H -1.192537 0.334035 -0.797007 0.098 Uiso 1 1 calc R . . . .
C151 C 0.1375(8) -0.8057(5) 0.1776(4) 0.034(2) Uani 1 1 d . . . . .
C152 C -0.2829(10) -0.7426(6) -0.2556(5) 0.049(3) Uani 1 1 d . . . . .
C153 C 0.4169(10) -1.0619(6) 0.0975(5) 0.045(3) Uani 1 1 d . . . . .
C154 C -0.0523(8) -0.7807(6) -0.0132(5) 0.039(2) Uani 1 1 d . . . . .
C155 C -0.2021(12) -0.2830(6) 0.1244(5) 0.056(3) Uani 1 1 d . . . . .
H15C H -0.154902 -0.257941 0.088601 0.084 Uiso 1 1 calc GR . . . .
H15D H -0.222062 -0.252822 0.156873 0.084 Uiso 1 1 calc GR . . . .
H15E H -0.271931 -0.297606 0.114797 0.084 Uiso 1 1 calc GR . . . .
C156 C -0.9011(8) -0.0879(5) -0.3977(4) 0.036(2) Uani 1 1 d . . . . .
C157 C -0.3962(9) -0.1374(6) -0.3853(5) 0.043(2) Uani 1 1 d . . . . .
C158 C -0.4528(11) -0.3847(7) 0.0900(6) 0.061(3) Uani 1 1 d . . . . .
H15H H -0.399476 -0.418583 0.104014 0.092 Uiso 1 1 calc GR . . . .
H15I H -0.484893 -0.354963 0.121785 0.092 Uiso 1 1 calc GR . . . .
H15J H -0.412248 -0.356591 0.054093 0.092 Uiso 1 1 calc GR . . . .
C159 C 0.1188(15) -0.5324(9) 0.2419(6) 0.086(5) Uani 1 1 d . . . . .
H15F H 0.035005 -0.527970 0.256284 0.104 Uiso 1 1 calc R . . . .
H15G H 0.144414 -0.492411 0.212180 0.104 Uiso 1 1 calc R . . . .
C160 C -1.0788(8) 0.0970(5) -0.7382(5) 0.035(2) Uani 1 1 d . . . . .
C161 C 0.0735(9) -0.8435(5) 0.0382(5) 0.040(2) Uani 1 1 d . . . . .
C162 C -0.6030(10) -0.4756(7) 0.1303(5) 0.062(3) Uani 1 1 d . . . . .
H16C H -0.666090 -0.499532 0.121655 0.093 Uiso 1 1 calc GR . . . .
H16D H -0.631361 -0.450525 0.165767 0.093 Uiso 1 1 calc GR . . . .
H16E H -0.544023 -0.509370 0.138222 0.093 Uiso 1 1 calc GR . . . .
C163 C 0.6897(11) -0.9440(7) 0.4737(6) 0.057(3) Uani 1 1 d . . . . .
H16F H 0.681293 -0.990680 0.495705 0.068 Uiso 1 1 calc R . . . .
H16G H 0.772295 -0.934847 0.460740 0.068 Uiso 1 1 calc R . . . .
C164 C 0.3411(9) -1.0055(6) 0.0961(5) 0.045(3) Uani 1 1 d . . . . .
H164 H 0.303852 -0.996644 0.063755 0.054 Uiso 1 1 calc R . . . .
O165 O -0.4814(7) -0.2036(4) -0.5696(3) 0.0563(18) Uani 1 1 d . . . . .
C166 C -1.0214(12) 0.1281(6) -0.3858(6) 0.062(3) Uani 1 1 d . . . . .
H16A H -1.102413 0.129516 -0.363830 0.074 Uiso 1 1 calc R . . . .
H16B H -1.013874 0.160089 -0.422995 0.074 Uiso 1 1 calc R . . . .
C167 C 0.1235(9) -0.6324(5) -0.0770(5) 0.038(2) Uani 1 1 d . . . . .
H167 H 0.177629 -0.667987 -0.071325 0.046 Uiso 1 1 calc R . . . .
C168 C 0.6596(9) -0.9921(6) 0.3181(5) 0.046(3) Uani 1 1 d . . . . .
H16H H 0.667182 -0.944194 0.298579 0.055 Uiso 1 1 calc R . . . .
H16I H 0.705886 -1.023090 0.290027 0.055 Uiso 1 1 calc R . . . .
C169 C 0.2432(8) -0.9028(5) 0.1439(5) 0.039(2) Uani 1 1 d . . . . .
C170 C -0.8244(11) 0.1519(6) -0.3734(6) 0.058(3) Uani 1 1 d . . . . .
H17C H -0.811740 0.173105 -0.415494 0.070 Uiso 1 1 calc R . . . .
H17D H -0.798592 0.102974 -0.374429 0.070 Uiso 1 1 calc R . . . .
C171 C 0.2234(12) -0.7483(8) 0.3909(7) 0.072(4) Uani 1 1 d . . . . .
H17L H 0.181078 -0.737255 0.359257 0.108 Uiso 1 1 calc GR . . . .
H17M H 0.227212 -0.707029 0.411054 0.108 Uiso 1 1 calc GR . . . .
H17N H 0.184386 -0.784666 0.420316 0.108 Uiso 1 1 calc GR . . . .
C172 C 0.1309(9) -0.6682(6) -0.1827(5) 0.044(3) Uani 1 1 d . . . . .
C173 C -0.9913(11) 0.0575(6) -0.4026(5) 0.050(3) Uani 1 1 d . . . . .
H17E H -1.046195 0.042953 -0.424718 0.060 Uiso 1 1 calc R . . . .
H17F H -0.914183 0.056823 -0.429502 0.060 Uiso 1 1 calc R . . . .
C174 C 0.5631(11) -1.1475(5) 0.2965(5) 0.050(3) Uani 1 1 d . . . . .
H17O H 0.484393 -1.144676 0.321340 0.060 Uiso 1 1 calc R . . . .
H17P H 0.616315 -1.134078 0.320104 0.060 Uiso 1 1 calc R . . . .
C175 C 0.3251(9) -0.6327(6) 0.0158(6) 0.049(3) Uani 1 1 d . . . . .
H17G H 0.336019 -0.590285 0.033600 0.059 Uiso 1 1 calc R . . . .
H17H H 0.354647 -0.625023 -0.028302 0.059 Uiso 1 1 calc R . . . .
C176 C -0.2161(13) -0.8049(7) -0.2372(6) 0.064(4) Uani 1 1 d . . . . .
H17Q H -0.147439 -0.790270 -0.226473 0.096 Uiso 1 1 calc GR . . . .
H17R H -0.194169 -0.833601 -0.270710 0.096 Uiso 1 1 calc GR . . . .
H17S H -0.263282 -0.831658 -0.202384 0.096 Uiso 1 1 calc GR . . . .
C177 C 0.4458(10) -1.1078(6) 0.0457(5) 0.048(3) Uani 1 1 d . . . . .
C178 C -0.0355(10) -0.2365(7) -0.2791(6) 0.054(3) Uani 1 1 d . . . . .
H17A H -0.036655 -0.185581 -0.286603 0.065 Uiso 1 1 calc R . . . .
H17B H 0.013053 -0.255659 -0.314808 0.065 Uiso 1 1 calc R . . . .
C179 C -1.1053(16) -0.1974(10) -0.6826(7) 0.095(6) Uani 1 1 d . . . . .
H17I H -1.060605 -0.226713 -0.712076 0.142 Uiso 1 1 calc GR . . . .
H17J H -1.110374 -0.150344 -0.701867 0.142 Uiso 1 1 calc GR . . . .
H17K H -1.182168 -0.215603 -0.667625 0.142 Uiso 1 1 calc GR . . . .
C180 C -0.1932(12) -0.3472(6) -0.4503(5) 0.057(3) Uani 1 1 d . . . . .
H180 H -0.141477 -0.383817 -0.443351 0.068 Uiso 1 1 calc R . . . .
C181 C -1.1648(11) -0.0891(7) -0.8507(7) 0.070(4) Uani 1 1 d . . . . .
H18A H -1.188748 -0.104469 -0.807633 0.105 Uiso 1 1 calc GR . . . .
H18B H -1.163373 -0.128347 -0.874052 0.105 Uiso 1 1 calc GR . . . .
H18C H -1.218750 -0.053623 -0.861729 0.105 Uiso 1 1 calc GR . . . .
C183 C -0.0799(14) -0.1678(9) -0.1590(8) 0.083(4) Uani 1 1 d . . . . .
H18D H -0.105070 -0.144403 -0.194388 0.099 Uiso 1 1 calc R . . . .
H18E H -0.004332 -0.149761 -0.159417 0.099 Uiso 1 1 calc R . . . .
C185 C -0.5254(9) -0.0872(6) -0.4608(5) 0.052(3) Uani 1 1 d . . . . .
C186 C -0.7467(14) -0.2726(7) -0.5490(6) 0.076(4) Uani 1 1 d . . . . .
H18F H -0.815136 -0.242917 -0.546676 0.115 Uiso 1 1 calc GR . . . .
H18G H -0.747624 -0.307914 -0.576106 0.115 Uiso 1 1 calc GR . . . .
H18H H -0.678630 -0.244726 -0.564300 0.115 Uiso 1 1 calc GR . . . .
C187 C -0.5376(13) -0.5534(8) -0.3513(7) 0.076(4) Uani 1 1 d . . . . .
H18I H -0.570376 -0.593084 -0.322959 0.091 Uiso 1 1 calc R . . . .
H18J H -0.453554 -0.559331 -0.360584 0.091 Uiso 1 1 calc R . . . .
C188 C -0.6816(9) -0.2640(6) -0.3961(5) 0.042(2) Uani 1 1 d . . . . .
H188 H -0.629983 -0.302405 -0.396185 0.050 Uiso 1 1 calc R . . . .
C190 C -0.3689(10) -0.0892(6) -0.2966(6) 0.051(3) Uani 1 1 d . . . . .
C191 C 0.1015(15) -0.6052(7) 0.1591(6) 0.071(4) Uani 1 1 d . . . . .
H19C H 0.122596 -0.650911 0.144286 0.085 Uiso 1 1 calc R . . . .
H19D H 0.017227 -0.600747 0.169994 0.085 Uiso 1 1 calc R . . . .
C193 C -0.8925(9) 0.0585(6) -0.6014(5) 0.050(3) Uani 1 1 d . . . . .
C194 C 0.5914(11) -1.2208(6) 0.2795(5) 0.055(3) Uani 1 1 d . . . . .
H19E H 0.671855 -1.222819 0.256924 0.066 Uiso 1 1 calc R . . . .
H19F H 0.584840 -1.252211 0.317013 0.066 Uiso 1 1 calc R . . . .
C195 C -0.1257(14) -0.4087(7) -0.3069(6) 0.076(4) Uani 1 1 d . . . . .
H19A H -0.200700 -0.425628 -0.309048 0.092 Uiso 1 1 calc R . . . .
H19B H -0.132583 -0.391802 -0.267122 0.092 Uiso 1 1 calc R . . . .
C196 C 0.3243(16) -1.2817(10) 0.2358(9) 0.098(5) Uani 1 1 d . . . . .
H19G H 0.351838 -1.268563 0.192071 0.118 Uiso 1 1 calc R . . . .
H19H H 0.338398 -1.331979 0.243253 0.118 Uiso 1 1 calc R . . . .
C197 C 0.2848(9) -0.8677(5) 0.2358(4) 0.036(2) Uani 1 1 d . . . . .
C198 C -1.0429(8) 0.1364(6) -0.6453(4) 0.039(2) Uani 1 1 d . . . . .
C199 C -0.0024(9) -0.5748(6) -0.1350(5) 0.042(3) Uani 1 1 d . . . . .
H199 H -0.034922 -0.570980 -0.169192 0.050 Uiso 1 1 calc R . . . .
C200 C -0.9472(13) 0.1544(7) -0.3460(7) 0.069(4) Uani 1 1 d . . . . .
H20E H -0.970622 0.202537 -0.338411 0.083 Uiso 1 1 calc R . . . .
H20F H -0.961731 0.125981 -0.306648 0.083 Uiso 1 1 calc R . . . .
C201 C -1.4205(11) 0.1754(8) -0.8831(6) 0.068(4) Uani 1 1 d . . . . .
H20A H -1.495966 0.154349 -0.876961 0.082 Uiso 1 1 calc R . . . .
H20B H -1.433176 0.226002 -0.885619 0.082 Uiso 1 1 calc R . . . .
C202 C -0.8503(16) -0.3506(10) -0.4585(9) 0.133(8) Uani 1 1 d . U . . .
H20G H -0.856355 -0.363213 -0.415341 0.199 Uiso 1 1 calc GR . . . .
H20H H -0.845034 -0.392483 -0.478974 0.199 Uiso 1 1 calc GR . . . .
H20I H -0.917889 -0.323196 -0.464308 0.199 Uiso 1 1 calc GR . . . .
C203 C -0.3845(14) -0.7656(9) -0.2782(7) 0.082(5) Uani 1 1 d . . . . .
H20M H -0.441641 -0.786451 -0.244089 0.123 Uiso 1 1 calc GR . . . .
H20N H -0.357951 -0.799573 -0.307180 0.123 Uiso 1 1 calc GR . . . .
H20O H -0.418704 -0.725577 -0.297788 0.123 Uiso 1 1 calc GR . . . .
C204 C -1.3519(12) 0.1583(9) -0.9409(7) 0.076(4) Uani 1 1 d . . . . .
H20C H -1.274067 0.175860 -0.946391 0.091 Uiso 1 1 calc R . . . .
H20D H -1.385545 0.181903 -0.973416 0.091 Uiso 1 1 calc R . . . .
C205 C 0.3405(10) -0.8321(6) 0.3233(5) 0.046(3) Uani 1 1 d . . . . .
N206 N -0.5453(9) -0.1145(5) -0.5100(4) 0.056(2) Uani 1 1 d . . . . .
C208 C -0.8223(13) 0.0864(7) -0.1804(6) 0.075(4) Uani 1 1 d . . . . .
H20J H -0.741655 0.085245 -0.201424 0.113 Uiso 1 1 calc GR . . . .
H20K H -0.832494 0.115688 -0.147379 0.113 Uiso 1 1 calc GR . . . .
H20L H -0.868468 0.105231 -0.208654 0.113 Uiso 1 1 calc GR . . . .
C209 C -0.549(2) -0.6214(13) -0.4376(10) 0.139(8) Uani 1 1 d . U . . .
H20P H -0.466119 -0.630326 -0.442996 0.167 Uiso 1 1 calc R . . . .
H20Q H -0.588929 -0.659081 -0.409197 0.167 Uiso 1 1 calc R . . . .
C210 C -0.6850(8) -0.0727(6) -0.5766(4) 0.050(2) Uani 1 1 d . . . . .
H210 H -0.670632 -0.107938 -0.602981 0.060 Uiso 1 1 calc R . . . .
C211 C -0.5174(15) -0.4850(7) -0.2673(6) 0.072(4) Uani 1 1 d . . . . .
H21I H -0.433355 -0.490684 -0.279082 0.086 Uiso 1 1 calc R . . . .
H21J H -0.535785 -0.439394 -0.251824 0.086 Uiso 1 1 calc R . . . .
C212 C 0.4707(9) -1.0733(5) 0.1447(5) 0.041(2) Uani 1 1 d . . . . .
H212 H 0.523952 -1.110767 0.145310 0.049 Uiso 1 1 calc R . . . .
C213 C 0.6347(12) -0.8927(7) 0.5159(6) 0.064(3) Uani 1 1 d . . . . .
H21K H 0.643897 -0.845835 0.494365 0.077 Uiso 1 1 calc R . . . .
H21L H 0.552002 -0.901514 0.528981 0.077 Uiso 1 1 calc R . . . .
C214 C -0.2080(15) -0.4067(7) -0.5426(7) 0.083(4) Uani 1 1 d . . . . .
C215 C -0.8157(14) -0.2505(9) -0.0504(8) 0.086(5) Uani 1 1 d . . . . .
H21M H -0.732751 -0.242869 -0.057650 0.104 Uiso 1 1 calc R . . . .
H21N H -0.847782 -0.215937 -0.077347 0.104 Uiso 1 1 calc R . . . .
C216 C -0.7945(12) -0.0096(7) -0.1054(5) 0.069(3) Uani 1 1 d . . . . .
H21A H -0.818607 -0.056298 -0.088530 0.104 Uiso 1 1 calc GR . . . .
H21B H -0.812679 0.021481 -0.073630 0.104 Uiso 1 1 calc GR . . . .
H21C H -0.712056 -0.010195 -0.122488 0.104 Uiso 1 1 calc GR . . . .
C217 C 0.1756(16) -0.5312(13) 0.2957(7) 0.123(8) Uani 1 1 d . . . . .
H21D H 0.153702 -0.573701 0.322998 0.147 Uiso 1 1 calc R . . . .
H21E H 0.259188 -0.534351 0.279885 0.147 Uiso 1 1 calc R . . . .
C218 C -0.6301(9) -0.0696(6) -0.5304(5) 0.045(3) Uani 1 1 d . . . . .
C220 C 0.5172(12) -1.2477(7) 0.2420(5) 0.058(3) Uani 1 1 d . . . . .
H22I H 0.532208 -1.220514 0.202113 0.069 Uiso 1 1 calc R . . . .
H22J H 0.540767 -1.296119 0.235489 0.069 Uiso 1 1 calc R . . . .
C221 C -0.9878(11) 0.0148(8) -0.1282(6) 0.078(4) Uani 1 1 d . . . . .
H22C H -1.029599 0.026738 -0.159995 0.118 Uiso 1 1 calc GR . . . .
H22D H -1.007519 0.048220 -0.098381 0.118 Uiso 1 1 calc GR . . . .
H22E H -1.008560 -0.031515 -0.108696 0.118 Uiso 1 1 calc GR . . . .
C222 C -0.2213(8) -0.6311(5) 0.0314(4) 0.037(2) Uani 1 1 d . . . . .
C224 C -0.1638(15) -0.1486(10) -0.1024(8) 0.094(5) Uani 1 1 d . . . . .
H22A H -0.172781 -0.097761 -0.105020 0.112 Uiso 1 1 calc R . . . .
H22B H -0.238915 -0.167486 -0.101677 0.112 Uiso 1 1 calc R . . . .
C226 C -0.0334(12) -0.3233(7) 0.1667(6) 0.068(4) Uani 1 1 d . . . . .
H22F H 0.006932 -0.363694 0.181854 0.101 Uiso 1 1 calc GR . . . .
H22G H -0.061056 -0.293587 0.199140 0.101 Uiso 1 1 calc GR . . . .
H22H H 0.018828 -0.297478 0.133317 0.101 Uiso 1 1 calc GR . . . .
C227 C -0.7445(10) -0.3085(6) -0.4843(5) 0.050(3) Uani 1 1 d . . . . .
C228 C -0.8622(9) -0.0230(6) -0.6696(5) 0.049(3) Uani 1 1 d . . . . .
C230 C -0.2044(13) -0.6990(8) -0.3091(6) 0.072(4) Uani 1 1 d . . . . .
H23C H -0.249086 -0.660757 -0.324278 0.108 Uiso 1 1 calc GR . . . .
H23D H -0.172982 -0.728274 -0.341337 0.108 Uiso 1 1 calc GR . . . .
H23E H -0.141889 -0.680641 -0.295148 0.108 Uiso 1 1 calc GR . . . .
C231 C 0.3875(11) -0.6917(6) 0.0413(6) 0.058(3) Uani 1 1 d . . . . .
H23A H 0.363259 -0.695006 0.085704 0.070 Uiso 1 1 calc R . . . .
H23B H 0.470088 -0.682133 0.030058 0.070 Uiso 1 1 calc R . . . .
C232 C -0.3124(11) -0.2922(7) -0.5100(5) 0.057(3) Uani 1 1 d . . . . .
H232 H -0.344716 -0.289205 -0.544253 0.068 Uiso 1 1 calc R . . . .
C233 C -0.4183(10) -0.1856(6) -0.4774(5) 0.050(3) Uani 1 1 d . . . . .
C234 C -0.6463(8) -0.0181(5) -0.4907(5) 0.047(2) Uani 1 1 d . . . . .
C235 C -0.7206(8) 0.0361(6) -0.4976(4) 0.048(2) Uani 1 1 d . . . . .
H235 H -0.731307 0.072717 -0.472583 0.057 Uiso 1 1 calc R . . . .
C237 C -0.8710(16) -0.2415(11) 0.0135(9) 0.114(7) Uani 1 1 d . . . . .
H23F H -0.878253 -0.192203 0.018907 0.171 Uiso 1 1 calc GR . . . .
H23G H -0.824204 -0.264671 0.039761 0.171 Uiso 1 1 calc GR . . . .
H23H H -0.946834 -0.261584 0.023732 0.171 Uiso 1 1 calc GR . . . .
C238 C -0.580(3) -0.6219(17) -0.4961(11) 0.206(13) Uani 1 1 d . U . . .
H23I H -0.511459 -0.616042 -0.528621 0.309 Uiso 1 1 calc GR . . . .
H23J H -0.634772 -0.584087 -0.500997 0.309 Uiso 1 1 calc GR . . . .
H23K H -0.614731 -0.665955 -0.497528 0.309 Uiso 1 1 calc GR . . . .
C239 C -0.9908(9) -0.0091(6) -0.7761(5) 0.047(3) Uani 1 1 d . . . . .
H239 H -0.939397 -0.047302 -0.774024 0.056 Uiso 1 1 calc R . . . .
C240 C -1.504(2) 0.5752(10) -0.6631(10) 0.133(8) Uani 1 1 d . . . . .
H24A H -1.477176 0.606426 -0.699650 0.200 Uiso 1 1 calc GR . . . .
H24B H -1.491572 0.595948 -0.628191 0.200 Uiso 1 1 calc GR . . . .
H24C H -1.585523 0.567358 -0.657942 0.200 Uiso 1 1 calc GR . . . .
C241 C 0.0360(11) -0.7049(7) -0.1997(5) 0.060(3) Uani 1 1 d . . . . .
H24G H 0.006760 -0.741689 -0.168004 0.089 Uiso 1 1 calc GR . . . .
H24H H 0.066028 -0.724874 -0.237765 0.089 Uiso 1 1 calc GR . . . .
H24I H -0.025925 -0.671798 -0.204293 0.089 Uiso 1 1 calc GR . . . .
C242 C -0.6408(12) -0.3725(7) 0.0619(6) 0.068(4) Uani 1 1 d . . . . .
H24M H -0.609698 -0.341383 0.025890 0.102 Uiso 1 1 calc GR . . . .
H24N H -0.667447 -0.345651 0.096322 0.102 Uiso 1 1 calc GR . . . .
H24O H -0.704876 -0.397289 0.055148 0.102 Uiso 1 1 calc GR . . . .
C243 C -0.2128(13) -0.3889(7) 0.1963(5) 0.068(4) Uani 1 1 d . . . . .
H24J H -0.280812 -0.401277 0.183674 0.103 Uiso 1 1 calc GR . . . .
H24K H -0.235524 -0.361571 0.230730 0.103 Uiso 1 1 calc GR . . . .
H24L H -0.171981 -0.430929 0.207977 0.103 Uiso 1 1 calc GR . . . .
C244 C -0.5807(17) -0.5526(10) -0.4106(8) 0.098(5) Uani 1 1 d . U . . .
H24P H -0.664552 -0.545146 -0.401827 0.117 Uiso 1 1 calc R . . . .
H24Q H -0.545527 -0.514255 -0.439844 0.117 Uiso 1 1 calc R . . . .
C246 C -0.5699(16) -0.4894(7) -0.3227(6) 0.076(4) Uani 1 1 d . . . . .
H24R H -0.654117 -0.486183 -0.309696 0.091 Uiso 1 1 calc R . . . .
H24S H -0.544702 -0.449609 -0.352745 0.091 Uiso 1 1 calc R . . . .
C248 C -0.4083(12) -0.0583(7) -0.1881(6) 0.063(3) Uani 1 1 d . . . . .
H24D H -0.485960 -0.075850 -0.176339 0.095 Uiso 1 1 calc GR . . . .
H24E H -0.401989 -0.020849 -0.163952 0.095 Uiso 1 1 calc GR . . . .
H24F H -0.353905 -0.095598 -0.181295 0.095 Uiso 1 1 calc GR . . . .
C249 C 0.5405(17) -1.1601(12) 0.0525(9) 0.133(7) Uani 1 1 d . U . . .
H24T H 0.608460 -1.136054 0.055056 0.200 Uiso 1 1 calc GR . . . .
H24U H 0.558692 -1.186891 0.017679 0.200 Uiso 1 1 calc GR . . . .
H24V H 0.515360 -1.191256 0.089322 0.200 Uiso 1 1 calc GR . . . .
N251 N -0.5791(7) -0.0313(5) -0.4446(5) 0.057(2) Uani 1 1 d . . . . .
C252 C 0.3921(12) -1.2452(8) 0.2686(7) 0.072(4) Uani 1 1 d . . . . .
H25A H 0.377731 -1.266019 0.310873 0.086 Uiso 1 1 calc R . . . .
H25B H 0.365653 -1.196413 0.268851 0.086 Uiso 1 1 calc R . . . .
C253 C 0.6836(17) -0.8953(10) 0.5702(7) 0.094(5) Uani 1 1 d . . . . .
H25C H 0.767068 -0.897377 0.557870 0.141 Uiso 1 1 calc GR . . . .
H25D H 0.656635 -0.936271 0.597487 0.141 Uiso 1 1 calc GR . . . .
H25E H 0.659257 -0.853837 0.590779 0.141 Uiso 1 1 calc GR . . . .
C256 C -0.9481(9) 0.0333(5) -0.6852(5) 0.041(2) Uani 1 1 d . . . . .
C257 C -1.1558(10) 0.2974(6) -0.5637(5) 0.057(3) Uani 1 1 d . . . . .
C260 C -0.4765(11) 0.0206(7) -0.2657(6) 0.066(3) Uani 1 1 d . . . . .
H26A H -0.455775 0.042366 -0.307137 0.099 Uiso 1 1 calc GR . . . .
H26B H -0.485705 0.055980 -0.237667 0.099 Uiso 1 1 calc GR . . . .
H26C H -0.548439 -0.003544 -0.259560 0.099 Uiso 1 1 calc GR . . . .
C261 C -0.0345(15) -0.4658(8) -0.3171(6) 0.084(5) Uani 1 1 d . . . . .
H26D H 0.040911 -0.445604 -0.320834 0.101 Uiso 1 1 calc R . . . .
H26E H -0.047999 -0.500046 -0.281201 0.101 Uiso 1 1 calc R . . . .
C262 C 0.1856(12) -0.6196(7) -0.2364(6) 0.063(3) Uani 1 1 d . . . . .
H26F H 0.129202 -0.584526 -0.245286 0.094 Uiso 1 1 calc GR . . . .
H26G H 0.213206 -0.645573 -0.271317 0.094 Uiso 1 1 calc GR . . . .
H26H H 0.249777 -0.597104 -0.227362 0.094 Uiso 1 1 calc GR . . . .
C263 C 0.4210(10) -0.7701(7) -0.0435(6) 0.058(3) Uani 1 1 d . . . . .
H26I H 0.504476 -0.764332 -0.050893 0.069 Uiso 1 1 calc R . . . .
H26J H 0.390879 -0.733161 -0.069231 0.069 Uiso 1 1 calc R . . . .
C267 C 0.3996(12) -0.8384(8) -0.0624(8) 0.084(5) Uani 1 1 d . . . . .
H26K H 0.427072 -0.875008 -0.035394 0.101 Uiso 1 1 calc R . . . .
H26L H 0.316118 -0.843156 -0.055914 0.101 Uiso 1 1 calc R . . . .
C269 C -1.1357(10) 0.2414(6) -0.6079(5) 0.052(3) Uani 1 1 d . . . . .
C271 C -0.7835(11) -0.3305(7) -0.1318(6) 0.062(3) Uani 1 1 d . . . . .
H27G H -0.816087 -0.293418 -0.156285 0.075 Uiso 1 1 calc R . . . .
H27H H -0.700165 -0.323894 -0.139913 0.075 Uiso 1 1 calc R . . . .
C274 C -0.303(3) -0.4573(11) -0.5169(11) 0.158(12) Uani 1 1 d . . . . .
H27A H -0.307286 -0.468999 -0.473836 0.237 Uiso 1 1 calc GR . . . .
H27B H -0.287074 -0.499220 -0.537624 0.237 Uiso 1 1 calc GR . . . .
H27C H -0.375639 -0.436312 -0.522651 0.237 Uiso 1 1 calc GR . . . .
C275 C -0.2691(12) 0.0059(7) -0.2686(7) 0.069(4) Uani 1 1 d . . . . .
H27D H -0.209520 -0.025637 -0.257948 0.104 Uiso 1 1 calc GR . . . .
H27E H -0.277021 0.045869 -0.245505 0.104 Uiso 1 1 calc GR . . . .
H27F H -0.248209 0.021343 -0.311753 0.104 Uiso 1 1 calc GR . . . .
C290 C -0.213(2) -0.3786(10) -0.6072(8) 0.133(8) Uani 1 1 d . . . . .
H29A H -0.285050 -0.352806 -0.606642 0.200 Uiso 1 1 calc GR . . . .
H29B H -0.208353 -0.417077 -0.631805 0.200 Uiso 1 1 calc GR . . . .
H29C H -0.148990 -0.347970 -0.624282 0.200 Uiso 1 1 calc GR . . . .
C292 C -0.0670(14) -0.2405(9) -0.1654(6) 0.078(4) Uani 1 1 d . . . . .
H29D H -0.143445 -0.259311 -0.161671 0.094 Uiso 1 1 calc R . . . .
H29E H -0.035717 -0.263382 -0.131821 0.094 Uiso 1 1 calc R . . . .
C293 C -0.0306(13) -0.5030(7) -0.3724(7) 0.077(4) Uani 1 1 d . . . . .
H29F H -0.108799 -0.517111 -0.371610 0.093 Uiso 1 1 calc R . . . .
H29G H -0.006129 -0.470099 -0.408687 0.093 Uiso 1 1 calc R . . . .
C297 C 0.3499(19) -1.1540(11) 0.0518(10) 0.168(10) Uani 1 1 d . U . . .
H29H H 0.353283 -1.191661 0.083320 0.251 Uiso 1 1 calc GR . . . .
H29I H 0.354592 -1.172984 0.013526 0.251 Uiso 1 1 calc GR . . . .
H29J H 0.277752 -1.127922 0.062717 0.251 Uiso 1 1 calc GR . . . .
C309 C -0.1332(18) -0.1726(11) -0.0449(7) 0.113(7) Uani 1 1 d . . . . .
H30A H -0.051483 -0.166228 -0.048852 0.169 Uiso 1 1 calc GR . . . .
H30B H -0.150509 -0.221518 -0.034429 0.169 Uiso 1 1 calc GR . . . .
H30C H -0.177117 -0.145838 -0.013192 0.169 Uiso 1 1 calc GR . . . .
C311 C -0.098(2) -0.4360(13) -0.5455(11) 0.165(12) Uani 1 1 d . . . . .
H31A H -0.040729 -0.401607 -0.564799 0.247 Uiso 1 1 calc GR . . . .
H31B H -0.087803 -0.475804 -0.568924 0.247 Uiso 1 1 calc GR . . . .
H31C H -0.088734 -0.450920 -0.504650 0.247 Uiso 1 1 calc GR . . . .
C324 C 0.4104(15) -0.7934(7) 0.4098(7) 0.083(4) Uani 1 1 d . . . . .
H32A H 0.409187 -0.755183 0.434316 0.124 Uiso 1 1 calc GR . . . .
H32B H 0.489372 -0.804505 0.390098 0.124 Uiso 1 1 calc GR . . . .
H32C H 0.376523 -0.833960 0.435693 0.124 Uiso 1 1 calc GR . . . .
C347 C 0.4528(14) -0.8510(10) -0.1256(7) 0.090(5) Uani 1 1 d . . . . .
H34A H 0.424031 -0.816469 -0.153132 0.135 Uiso 1 1 calc GR . . . .
H34B H 0.433713 -0.897180 -0.132669 0.135 Uiso 1 1 calc GR . . . .
H34C H 0.535865 -0.847737 -0.132649 0.135 Uiso 1 1 calc GR . . . .
C219 C -0.6214(18) 0.1799(15) -0.3652(13) 0.146(10) Uani 1 1 d . . . . .
H21F H -0.602396 0.197067 -0.407943 0.219 Uiso 1 1 calc GR . . . .
H21G H -0.599845 0.130904 -0.360442 0.219 Uiso 1 1 calc GR . . . .
H21H H -0.579643 0.205872 -0.343214 0.219 Uiso 1 1 calc GR . . . .
C1AA C 0.053(2) -0.5992(10) -0.4327(9) 0.112(6) Uani 1 1 d . . . . .
H1AC H -0.025805 -0.606140 -0.435849 0.134 Uiso 0.45 1 calc R . P A 2
H1AD H 0.087298 -0.645605 -0.425246 0.134 Uiso 0.45 1 calc R . P A 2
H1AA H -0.025516 -0.605506 -0.436634 0.134 Uiso 0.55 1 calc R . P B 1
H1AB H 0.090007 -0.567136 -0.467562 0.134 Uiso 0.55 1 calc R . P B 1
C5AA C -1.4421(19) 0.5109(8) -0.6683(8) 0.100(6) Uani 1 1 d . . . . .
H5AA H -1.474940 0.479061 -0.632508 0.121 Uiso 1 1 calc R . . . .
H5AB H -1.362343 0.518934 -0.666782 0.121 Uiso 1 1 calc R . . . .
C4AA C -1.1101(17) 0.2724(9) -0.5065(7) 0.102(6) Uani 1 1 d . . . . .
H4AA H -1.150013 0.230799 -0.486061 0.154 Uiso 1 1 calc GR . . . .
H4AB H -1.123508 0.308703 -0.479160 0.154 Uiso 1 1 calc GR . . . .
H4AC H -1.028101 0.261973 -0.518290 0.154 Uiso 1 1 calc GR . . . .
C2AA C -1.2816(14) 0.3165(10) -0.5451(8) 0.104(6) Uani 1 1 d . . . . .
H2AA H -1.309249 0.334769 -0.580786 0.156 Uiso 1 1 calc GR . . . .
H2AB H -1.292474 0.351534 -0.516698 0.156 Uiso 1 1 calc GR . . . .
H2AC H -1.324287 0.275367 -0.525868 0.156 Uiso 1 1 calc GR . . . .
C0AA C 0.0455(15) -0.5644(8) -0.3785(7) 0.083(4) Uani 1 1 d . . . . .
H0AA H 0.123057 -0.550618 -0.377574 0.100 Uiso 1 1 calc R . . . .
H0AB H 0.019165 -0.598027 -0.342912 0.100 Uiso 1 1 calc R . . . .
C7AA C -1.2608(13) 0.0594(9) -1.0068(9) 0.090(5) Uani 1 1 d . . . . .
H7AA H -1.183118 0.075353 -1.008905 0.108 Uiso 1 1 calc R . . . .
H7AB H -1.257122 0.008356 -1.004086 0.108 Uiso 1 1 calc R . . . .
C3AA C -1.0870(16) 0.3599(8) -0.5955(9) 0.098(5) Uani 1 1 d . . . . .
H3AA H -1.008127 0.345161 -0.612073 0.147 Uiso 1 1 calc GR . . . .
H3AB H -1.087694 0.393534 -0.566708 0.147 Uiso 1 1 calc GR . . . .
H3AC H -1.120915 0.381057 -0.628248 0.147 Uiso 1 1 calc GR . . . .
C6AA C -1.3436(14) 0.0823(8) -0.9469(8) 0.084(4) Uani 1 1 d . . . . .
H6AA H -1.421093 0.065980 -0.944825 0.101 Uiso 1 1 calc R . . . .
H6AB H -1.317474 0.058667 -0.911897 0.101 Uiso 1 1 calc R . . . .
C8AA C -1.2938(14) 0.0848(11) -1.0608(10) 0.116(7) Uani 1 1 d . . . . .
H8AA H -1.243188 0.064872 -1.094956 0.175 Uiso 1 1 calc GR . . . .
H8AB H -1.288450 0.135185 -1.066663 0.175 Uiso 1 1 calc GR . . . .
H8AC H -1.372624 0.072059 -1.058203 0.175 Uiso 1 1 calc GR . . . .
C9AA C -0.7784(8) 0.0350(5) -0.5419(4) 0.042(2) Uani 1 1 d . . . . .
C4BA C -0.6371(14) -0.3498(8) -0.4946(7) 0.079(4) Uani 1 1 d . . . . .
H4BA H -0.572306 -0.319303 -0.500410 0.118 Uiso 1 1 calc GR . . . .
H4BB H -0.630224 -0.374038 -0.530504 0.118 Uiso 1 1 calc GR . . . .
H4BC H -0.637350 -0.383528 -0.459609 0.118 Uiso 1 1 calc GR . . . .
C0BA C -0.7494(14) 0.1891(10) -0.3401(8) 0.091(5) Uani 1 1 d . . . . .
H0BA H -0.769457 0.239001 -0.342733 0.110 Uiso 1 1 calc R . . . .
H0BB H -0.767772 0.171270 -0.296955 0.110 Uiso 1 1 calc R . . . .
C3BA C 0.4000(11) -0.7112(6) 0.3209(6) 0.072(4) Uani 1 1 d . . . . .
H3BA H 0.358445 -0.699208 0.289080 0.108 Uiso 1 1 calc GR . . . .
H3BB H 0.479332 -0.723534 0.302841 0.108 Uiso 1 1 calc GR . . . .
H3BC H 0.398171 -0.671682 0.344036 0.108 Uiso 1 1 calc GR . . . .
C13 C 0.493(2) -1.0689(10) -0.0106(7) 0.135(8) Uani 1 1 d . U . . .
H13L H 0.433829 -1.037140 -0.021940 0.202 Uiso 1 1 calc GR . . . .
H13M H 0.518522 -1.100441 -0.041726 0.202 Uiso 1 1 calc GR . . . .
H13N H 0.557188 -1.042576 -0.006695 0.202 Uiso 1 1 calc GR . . . .
C1BA C 0.198(3) -0.4982(17) 0.3940(12) 0.184(12) Uani 1 1 d . U . . .
H1BA H 0.281710 -0.503309 0.384593 0.276 Uiso 1 1 calc GR . . . .
H1BB H 0.164581 -0.541853 0.413708 0.276 Uiso 1 1 calc GR . . . .
H1BC H 0.174757 -0.461916 0.420979 0.276 Uiso 1 1 calc GR . . . .
C2BA C 0.154(2) -0.4768(14) 0.3301(11) 0.146(8) Uani 1 1 d . U . . .
H2BA H 0.071059 -0.465545 0.339688 0.176 Uiso 1 1 calc R . . . .
H2BB H 0.194409 -0.435616 0.307661 0.176 Uiso 1 1 calc R . . . .
C5BA C 0.2036(18) -1.2680(15) 0.2519(13) 0.160(12) Uani 1 1 d . . . . .
H5BA H 0.184698 -1.226169 0.228104 0.240 Uiso 1 1 calc GR . . . .
H5BB H 0.180693 -1.261441 0.294834 0.240 Uiso 1 1 calc GR . . . .
H5BC H 0.163077 -1.307039 0.243949 0.240 Uiso 1 1 calc GR . . . .
C6BA C 0.115(4) -0.570(2) -0.4922(17) 0.123(15) Uani 0.45 1 d . . P C 2
H6BA H 0.061548 -0.545915 -0.513954 0.184 Uiso 0.45 1 calc GR . P C 2
H6BB H 0.155042 -0.607120 -0.515006 0.184 Uiso 0.45 1 calc GR . P C 2
H6BC H 0.171362 -0.537333 -0.487552 0.184 Uiso 0.45 1 calc GR . P C 2
C7BA C 0.112(3) -0.6636(14) -0.4386(12) 0.086(9) Uani 0.55 1 d . . P C 1
H7BA H 0.189045 -0.659782 -0.432902 0.129 Uiso 0.55 1 calc GR . P C 1
H7BB H 0.115322 -0.677356 -0.478852 0.129 Uiso 0.55 1 calc GR . P C 1
H7BC H 0.070634 -0.698375 -0.408193 0.129 Uiso 0.55 1 calc GR . P C 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C63 1.439(14) . ?
C1 C65 1.414(14) . ?
C1 C99 1.414(13) . ?
C2 C55 1.433(15) . ?
C2 C70 1.410(14) . ?
C2 C88 1.429(14) . ?
C3 C58 1.420(15) . ?
C3 C123 1.435(14) . ?
C3 C157 1.422(15) . ?
C4 C99 1.402(14) . ?
C4 C110 1.448(15) . ?
C4 C188 1.409(14) . ?
C5 H5 0.9500 . ?
C5 C52 1.411(14) . ?
C5 C127 1.381(15) . ?
C6 C52 1.433(14) . ?
C6 C100 1.418(13) . ?
C6 C128 1.441(14) . ?
C7 C33 1.456(15) . ?
C7 C123 1.372(15) . ?
C7 C180 1.384(15) . ?
C8 H8 0.9500 . ?
C8 C65 1.395(14) . ?
C8 C95 1.421(15) . ?
O9 C97 1.458(13) . ?
O9 C156 1.406(12) . ?
C10 C61 1.452(14) . ?
C10 C88 1.407(15) . ?
C10 C167 1.393(14) . ?
C11 C88 1.413(14) . ?
C11 C96 1.431(14) . ?
C11 C199 1.381(14) . ?
O12 C74 1.362(12) . ?
O12 C211 1.424(15) . ?
O13 C61 1.370(12) . ?
O13 C175 1.442(13) . ?
C14 C61 1.379(14) . ?
C14 O66 1.378(12) . ?
C14 C70 1.424(15) . ?
O15 C33 1.371(13) . ?
O15 C195 1.443(14) . ?
C16 H16 0.9500 . ?
C16 C63 1.398(14) . ?
C16 C95 1.363(15) . ?
C17 O23 1.399(13) . ?
C17 C33 1.338(15) . ?
C17 C58 1.405(15) . ?
C18 C76 1.385(13) . ?
C18 C99 1.442(14) . ?
C18 C156 1.439(14) . ?
O19 C25 1.363(12) . ?
O19 C168 1.450(12) . ?
C20 N27 1.421(13) . ?
C20 C46 1.425(14) . ?
C20 C62 1.394(14) . ?
C21 N59 1.402(14) . ?
C21 C121 1.365(14) . ?
C21 C154 1.417(14) . ?
O22 C91 1.356(12) . ?
O22 C174 1.450(13) . ?
O23 C178 1.440(13) . ?
C24 C63 1.409(15) . ?
C24 C110 1.371(14) . ?
C24 C117 1.481(15) . ?
C25 C83 1.430(14) . ?
C25 C91 1.383(14) . ?
N26 C94 1.287(13) . ?
N26 C154 1.405(13) . ?
N27 C117 1.279(13) . ?
C28 H28 0.9500 . ?
C28 C55 1.417(14) . ?
C28 C106 1.375(15) . ?
C29 C79 1.426(14) . ?
C29 C83 1.422(15) . ?
C29 C197 1.432(15) . ?
O30 C73 1.361(13) . ?
O30 C142 1.467(12) . ?
N31 C46 1.403(13) . ?
N31 C53 1.414(13) . ?
N31 C117 1.392(13) . ?
C32 C160 1.443(14) . ?
C32 C239 1.385(15) . ?
C32 C256 1.421(15) . ?
C34 C90 1.454(15) . ?
C34 C100 1.399(15) . ?
C34 C147 1.381(14) . ?
N35 C37 1.403(13) . ?
N35 C124 1.370(14) . ?
N35 C129 1.412(12) . ?
C36 C108 1.498(14) . ?
C36 C116 1.399(14) . ?
C36 C160 1.380(14) . ?
C37 O80 1.192(12) . ?
C37 C96 1.512(14) . ?
C38 C151 1.514(14) . ?
C38 C169 1.361(14) . ?
C38 C197 1.420(15) . ?
C39 H39 0.9500 . ?
C39 C157 1.417(15) . ?
C39 C190 1.365(17) . ?
O40 C108 1.347(13) . ?
O40 C131 1.435(13) . ?
C41 C137 1.447(14) . ?
C41 C160 1.419(14) . ?
C41 C198 1.416(14) . ?
C42 C65 1.457(14) . ?
C42 O84 1.367(12) . ?
C42 C156 1.331(14) . ?
C43 C76 1.411(15) . ?
C43 C188 1.387(15) . ?
C43 C227 1.553(13) . ?
C44 C167 1.418(15) . ?
C44 C172 1.522(14) . ?
C44 C199 1.400(16) . ?
C45 H45 0.9500 . ?
C45 C70 1.415(14) . ?
C45 C106 1.400(15) . ?
C46 C69 1.364(15) . ?
C47 C90 1.355(15) . ?
C47 C128 1.435(15) . ?
C47 C222 1.513(14) . ?
C48 H48 0.9500 . ?
C48 C127 1.378(15) . ?
C48 C128 1.411(14) . ?
C49 C123 1.431(15) . ?
C49 C232 1.399(16) . ?
C49 C233 1.421(16) . ?
C50 C55 1.420(14) . ?
C50 C96 1.380(13) . ?
C50 C129 1.442(15) . ?
O51 C151 1.203(12) . ?
C52 C73 1.441(14) . ?
C53 O67 1.205(12) . ?
C53 C110 1.492(16) . ?
C54 C74 1.447(16) . ?
C54 C100 1.434(14) . ?
C54 C103 1.384(15) . ?
C56 H56 0.9500 . ?
C56 C197 1.395(14) . ?
C56 C205 1.391(16) . ?
C57 C62 1.374(15) . ?
C57 N89 1.421(14) . ?
C57 C124 1.433(15) . ?
C58 C60 1.416(15) . ?
N59 C94 1.374(13) . ?
N59 C222 1.378(13) . ?
C60 H60 0.9500 . ?
C60 C190 1.425(16) . ?
C62 H62 0.9500 . ?
O64 C222 1.219(12) . ?
O66 C191 1.438(14) . ?
C68 C79 1.425(15) . ?
C68 C164 1.388(14) . ?
C68 C169 1.448(15) . ?
C69 H69 0.9500 . ?
C69 C124 1.422(15) . ?
C71 N101 1.374(14) . ?
C71 C210 1.365(15) . ?
C71 C9AA 1.436(15) . ?
N72 C86 1.399(13) . ?
N72 C109 1.388(13) . ?
N72 C151 1.399(13) . ?
C73 C74 1.356(14) . ?
C75 H75 0.9500 . ?
C75 C154 1.379(15) . ?
C75 C161 1.374(15) . ?
C76 H76 0.9500 . ?
O77 C102 1.367(12) . ?
O77 C150 1.435(15) . ?
C78 C116 1.384(15) . ?
C78 C134 1.542(14) . ?
C78 C239 1.385(16) . ?
C79 C82 1.390(15) . ?
C81 C157 1.448(16) . ?
C81 C185 1.477(17) . ?
C81 C233 1.378(16) . ?
C82 C91 1.446(16) . ?
C82 C212 1.408(13) . ?
C83 C114 1.424(14) . ?
O84 C173 1.442(13) . ?
C85 H85 0.9500 . ?
C85 C137 1.402(14) . ?
C85 C269 1.388(16) . ?
C86 N92 1.295(14) . ?
C86 C169 1.442(16) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C98 1.517(15) . ?
C87 C107 1.479(15) . ?
N89 C129 1.304(13) . ?
C90 C94 1.476(15) . ?
N92 C161 1.408(15) . ?
C93 C193 1.470(15) . ?
C93 C198 1.404(15) . ?
C93 C256 1.372(15) . ?
C95 C125 1.550(14) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C97 C107 1.488(15) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C98 C130 1.532(18) . ?
N101 C193 1.371(15) . ?
N101 C228 1.417(14) . ?
C102 C108 1.373(14) . ?
C102 C137 1.433(15) . ?
C103 H103 0.9500 . ?
C103 C135 1.386(16) . ?
C104 C127 1.569(14) . ?
C104 C158 1.552(15) . ?
C104 C162 1.584(17) . ?
C104 C242 1.488(17) . ?
C105 O165 1.240(13) . ?
C105 N206 1.354(15) . ?
C105 C233 1.486(17) . ?
C106 C136 1.540(14) . ?
C107 H10A 0.9900 . ?
C107 H10B 0.9900 . ?
C109 C121 1.395(14) . ?
C109 C161 1.428(14) . ?
C111 H11H 0.9900 . ?
C111 H11I 0.9900 . ?
C111 C215 1.56(2) . ?
C111 C271 1.54(2) . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 C172 1.516(18) . ?
C113 C180 1.399(18) . ?
C113 C214 1.578(17) . ?
C113 C232 1.367(18) . ?
C114 H114 0.9500 . ?
C114 C205 1.365(16) . ?
C115 H11A 0.9900 . ?
C115 H11B 0.9900 . ?
C115 C178 1.493(17) . ?
C115 C292 1.52(2) . ?
C116 H116 0.9500 . ?
C118 H118 0.9500 . ?
C118 C198 1.408(15) . ?
C118 C269 1.387(16) . ?
C119 H11C 0.9900 . ?
C119 H11D 0.9900 . ?
C119 C141 1.528(17) . ?
C119 C5AA 1.49(2) . ?
C120 C171 1.518(17) . ?
C120 C205 1.554(14) . ?
C120 C324 1.495(18) . ?
C120 C3BA 1.543(19) . ?
C121 H121 0.9500 . ?
C122 H12A 0.9900 . ?
C122 H12B 0.9900 . ?
C122 C148 1.537(15) . ?
C122 C163 1.529(15) . ?
C125 C208 1.473(19) . ?
C125 C216 1.563(16) . ?
C125 C221 1.541(17) . ?
O126 C228 1.216(13) . ?
C130 H13H 0.9900 . ?
C130 H13I 0.9900 . ?
C130 C179 1.531(18) . ?
C131 H13A 0.9900 . ?
C131 H13B 0.9900 . ?
C131 C201 1.494(17) . ?
C132 H13J 0.9900 . ?
C132 H13K 0.9900 . ?
C132 C142 1.509(16) . ?
C132 C271 1.515(18) . ?
C134 C139 1.515(18) . ?
C134 C144 1.553(18) . ?
C134 C181 1.548(17) . ?
C135 C147 1.396(16) . ?
C135 C152 1.531(14) . ?
C136 C155 1.538(17) . ?
C136 C226 1.539(17) . ?
C136 C243 1.518(18) . ?
C138 H13C 0.9900 . ?
C138 H13D 0.9900 . ?
C138 C141 1.502(19) . ?
C138 C150 1.476(17) . ?
C139 H13E 0.9800 . ?
C139 H13F 0.9800 . ?
C139 H13G 0.9800 . ?
C141 H14A 0.9900 . ?
C141 H14B 0.9900 . ?
C142 H14J 0.9900 . ?
C142 H14K 0.9900 . ?
N143 C193 1.310(14) . ?
N143 C9AA 1.421(12) . ?
C144 H14C 0.9800 . ?
C144 H14D 0.9800 . ?
C144 H14E 0.9800 . ?
C145 H14F 0.9900 . ?
C145 H14G 0.9900 . ?
C145 C159 1.53(2) . ?
C145 C191 1.454(17) . ?
C146 C190 1.549(14) . ?
C146 C248 1.517(18) . ?
C146 C260 1.538(17) . ?
C146 C275 1.523(18) . ?
C147 H147 0.9500 . ?
C148 H14L 0.9900 . ?
C148 H14M 0.9900 . ?
C148 C168 1.510(16) . ?
C149 H14H 0.9900 . ?
C149 H14I 0.9900 . ?
C149 C231 1.520(16) . ?
C149 C263 1.485(18) . ?
C150 H15A 0.9900 . ?
C150 H15B 0.9900 . ?
C152 C176 1.503(18) . ?
C152 C203 1.540(18) . ?
C152 C230 1.561(19) . ?
C153 C164 1.400(16) . ?
C153 C177 1.532(13) . ?
C153 C212 1.380(16) . ?
C155 H15C 0.9800 . ?
C155 H15D 0.9800 . ?
C155 H15E 0.9800 . ?
C158 H15H 0.9800 . ?
C158 H15I 0.9800 . ?
C158 H15J 0.9800 . ?
C159 H15F 0.9900 . ?
C159 H15G 0.9900 . ?
C159 C217 1.55(2) . ?
C162 H16C 0.9800 . ?
C162 H16D 0.9800 . ?
C162 H16E 0.9800 . ?
C163 H16F 0.9900 . ?
C163 H16G 0.9900 . ?
C163 C213 1.495(17) . ?
C164 H164 0.9500 . ?
C166 H16A 0.9900 . ?
C166 H16B 0.9900 . ?
C166 C173 1.478(16) . ?
C166 C200 1.557(19) . ?
C167 H167 0.9500 . ?
C168 H16H 0.9900 . ?
C168 H16I 0.9900 . ?
C170 H17C 0.9900 . ?
C170 H17D 0.9900 . ?
C170 C200 1.47(2) . ?
C170 C0BA 1.560(19) . ?
C171 H17L 0.9800 . ?
C171 H17M 0.9800 . ?
C171 H17N 0.9800 . ?
C172 C241 1.524(16) . ?
C172 C262 1.510(17) . ?
C173 H17E 0.9900 . ?
C173 H17F 0.9900 . ?
C174 H17O 0.9900 . ?
C174 H17P 0.9900 . ?
C174 C194 1.525(14) . ?
C175 H17G 0.9900 . ?
C175 H17H 0.9900 . ?
C175 C231 1.484(17) . ?
C176 H17Q 0.9800 . ?
C176 H17R 0.9800 . ?
C176 H17S 0.9800 . ?
C177 C249 1.52(2) . ?
C177 C297 1.47(2) . ?
C177 C13 1.43(2) . ?
C178 H17A 0.9900 . ?
C178 H17B 0.9900 . ?
C179 H17I 0.9800 . ?
C179 H17J 0.9800 . ?
C179 H17K 0.9800 . ?
C180 H180 0.9500 . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C183 H18D 0.9900 . ?
C183 H18E 0.9900 . ?
C183 C224 1.52(2) . ?
C183 C292 1.44(2) . ?
C185 N206 1.374(14) . ?
C185 N251 1.286(15) . ?
C186 H18F 0.9800 . ?
C186 H18G 0.9800 . ?
C186 H18H 0.9800 . ?
C186 C227 1.576(18) . ?
C187 H18I 0.9900 . ?
C187 H18J 0.9900 . ?
C187 C244 1.56(2) . ?
C187 C246 1.47(2) . ?
C188 H188 0.9500 . ?
C191 H19C 0.9900 . ?
C191 H19D 0.9900 . ?
C194 H19E 0.9900 . ?
C194 H19F 0.9900 . ?
C194 C220 1.521(17) . ?
C195 H19A 0.9900 . ?
C195 H19B 0.9900 . ?
C195 C261 1.524(17) . ?
C196 H19G 0.9900 . ?
C196 H19H 0.9900 . ?
C196 C252 1.48(2) . ?
C196 C5BA 1.44(3) . ?
C199 H199 0.9500 . ?
C200 H20E 0.9900 . ?
C200 H20F 0.9900 . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 C204 1.46(2) . ?
C202 H20G 0.9800 . ?
C202 H20H 0.9800 . ?
C202 H20I 0.9800 . ?
C202 C227 1.515(19) . ?
C203 H20M 0.9800 . ?
C203 H20N 0.9800 . ?
C203 H20O 0.9800 . ?
C204 H20C 0.9900 . ?
C204 H20D 0.9900 . ?
C204 C6AA 1.50(2) . ?
N206 C218 1.441(14) . ?
C208 H20J 0.9800 . ?
C208 H20K 0.9800 . ?
C208 H20L 0.9800 . ?
C209 H20P 0.9900 . ?
C209 H20Q 0.9900 . ?
C209 C238 1.47(3) . ?
C209 C244 1.54(3) . ?
C210 H210 0.9500 . ?
C210 C218 1.381(15) . ?
C211 H21I 0.9900 . ?
C211 H21J 0.9900 . ?
C211 C246 1.559(17) . ?
C212 H212 0.9500 . ?
C213 H21K 0.9900 . ?
C213 H21L 0.9900 . ?
C213 C253 1.49(2) . ?
C214 C274 1.52(3) . ?
C214 C290 1.54(2) . ?
C214 C311 1.41(3) . ?
C215 H21M 0.9900 . ?
C215 H21N 0.9900 . ?
C215 C237 1.49(2) . ?
C216 H21A 0.9800 . ?
C216 H21B 0.9800 . ?
C216 H21C 0.9800 . ?
C217 H21D 0.9900 . ?
C217 H21E 0.9900 . ?
C217 C2BA 1.37(3) . ?
C218 C234 1.407(15) . ?
C220 H22I 0.9900 . ?
C220 H22J 0.9900 . ?
C220 C252 1.49(2) . ?
C221 H22C 0.9800 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C224 H22A 0.9900 . ?
C224 H22B 0.9900 . ?
C224 C309 1.47(2) . ?
C226 H22F 0.9800 . ?
C226 H22G 0.9800 . ?
C226 H22H 0.9800 . ?
C227 C4BA 1.477(18) . ?
C228 C256 1.543(16) . ?
C230 H23C 0.9800 . ?
C230 H23D 0.9800 . ?
C230 H23E 0.9800 . ?
C231 H23A 0.9900 . ?
C231 H23B 0.9900 . ?
C232 H232 0.9500 . ?
C234 C235 1.373(14) . ?
C234 N251 1.469(14) . ?
C235 H235 0.9500 . ?
C235 C9AA 1.362(13) . ?
C237 H23F 0.9800 . ?
C237 H23G 0.9800 . ?
C237 H23H 0.9800 . ?
C238 H23I 0.9800 . ?
C238 H23J 0.9800 . ?
C238 H23K 0.9800 . ?
C239 H239 0.9500 . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
C240 C5AA 1.43(3) . ?
C241 H24G 0.9800 . ?
C241 H24H 0.9800 . ?
C241 H24I 0.9800 . ?
C242 H24M 0.9800 . ?
C242 H24N 0.9800 . ?
C242 H24O 0.9800 . ?
C243 H24J 0.9800 . ?
C243 H24K 0.9800 . ?
C243 H24L 0.9800 . ?
C244 H24P 0.9900 . ?
C244 H24Q 0.9900 . ?
C246 H24R 0.9900 . ?
C246 H24S 0.9900 . ?
C248 H24D 0.9800 . ?
C248 H24E 0.9800 . ?
C248 H24F 0.9800 . ?
C249 H24T 0.9800 . ?
C249 H24U 0.9800 . ?
C249 H24V 0.9800 . ?
C252 H25A 0.9900 . ?
C252 H25B 0.9900 . ?
C253 H25C 0.9800 . ?
C253 H25D 0.9800 . ?
C253 H25E 0.9800 . ?
C257 C269 1.545(14) . ?
C257 C4AA 1.559(18) . ?
C257 C2AA 1.52(2) . ?
C257 C3AA 1.53(2) . ?
C260 H26A 0.9800 . ?
C260 H26B 0.9800 . ?
C260 H26C 0.9800 . ?
C261 H26D 0.9900 . ?
C261 H26E 0.9900 . ?
C261 C293 1.52(2) . ?
C262 H26F 0.9800 . ?
C262 H26G 0.9800 . ?
C262 H26H 0.9800 . ?
C263 H26I 0.9900 . ?
C263 H26J 0.9900 . ?
C263 C267 1.497(19) . ?
C267 H26K 0.9900 . ?
C267 H26L 0.9900 . ?
C267 C347 1.49(2) . ?
C271 H27G 0.9900 . ?
C271 H27H 0.9900 . ?
C274 H27A 0.9800 . ?
C274 H27B 0.9800 . ?
C274 H27C 0.9800 . ?
C275 H27D 0.9800 . ?
C275 H27E 0.9800 . ?
C275 H27F 0.9800 . ?
C290 H29A 0.9800 . ?
C290 H29B 0.9800 . ?
C290 H29C 0.9800 . ?
C292 H29D 0.9900 . ?
C292 H29E 0.9900 . ?
C293 H29F 0.9900 . ?
C293 H29G 0.9900 . ?
C293 C0AA 1.47(2) . ?
C297 H29H 0.9800 . ?
C297 H29I 0.9800 . ?
C297 H29J 0.9800 . ?
C309 H30A 0.9800 . ?
C309 H30B 0.9800 . ?
C309 H30C 0.9800 . ?
C311 H31A 0.9800 . ?
C311 H31B 0.9800 . ?
C311 H31C 0.9800 . ?
C324 H32A 0.9800 . ?
C324 H32B 0.9800 . ?
C324 H32C 0.9800 . ?
C347 H34A 0.9800 . ?
C347 H34B 0.9800 . ?
C347 H34C 0.9800 . ?
C219 H21F 0.9800 . ?
C219 H21G 0.9800 . ?
C219 H21H 0.9800 . ?
C219 C0BA 1.53(3) . ?
C1AA H1AC 0.9900 . ?
C1AA H1AD 0.9900 . ?
C1AA H1AA 0.9900 . ?
C1AA H1AB 0.9900 . ?
C1AA C0AA 1.46(2) . ?
C1AA C6BA 1.47(4) . ?
C1AA C7BA 1.41(3) . ?
C5AA H5AA 0.9900 . ?
C5AA H5AB 0.9900 . ?
C4AA H4AA 0.9800 . ?
C4AA H4AB 0.9800 . ?
C4AA H4AC 0.9800 . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?
C0AA H0AA 0.9900 . ?
C0AA H0AB 0.9900 . ?
C7AA H7AA 0.9900 . ?
C7AA H7AB 0.9900 . ?
C7AA C6AA 1.59(2) . ?
C7AA C8AA 1.42(3) . ?
C3AA H3AA 0.9800 . ?
C3AA H3AB 0.9800 . ?
C3AA H3AC 0.9800 . ?
C6AA H6AA 0.9900 . ?
C6AA H6AB 0.9900 . ?
C8AA H8AA 0.9800 . ?
C8AA H8AB 0.9800 . ?
C8AA H8AC 0.9800 . ?
C4BA H4BA 0.9800 . ?
C4BA H4BB 0.9800 . ?
C4BA H4BC 0.9800 . ?
C0BA H0BA 0.9900 . ?
C0BA H0BB 0.9900 . ?
C3BA H3BA 0.9800 . ?
C3BA H3BB 0.9800 . ?
C3BA H3BC 0.9800 . ?
C13 H13L 0.9800 . ?
C13 H13M 0.9800 . ?
C13 H13N 0.9800 . ?
C1BA H1BA 0.9800 . ?
C1BA H1BB 0.9800 . ?
C1BA H1BC 0.9800 . ?
C1BA C2BA 1.68(3) . ?
C2BA H2BA 0.9900 . ?
C2BA H2BB 0.9900 . ?
C5BA H5BA 0.9800 . ?
C5BA H5BB 0.9800 . ?
C5BA H5BC 0.9800 . ?
C6BA H6BA 0.9800 . ?
C6BA H6BB 0.9800 . ?
C6BA H6BC 0.9800 . ?
C7BA H7BA 0.9800 . ?
C7BA H7BB 0.9800 . ?
C7BA H7BC 0.9800 . ?

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
C65 C1 C63 118.3(9) . . ?
C99 C1 C63 120.1(9) . . ?
C99 C1 C65 121.5(9) . . ?
C70 C2 C55 119.7(9) . . ?
C70 C2 C88 120.1(9) . . ?
C88 C2 C55 120.2(9) . . ?
C58 C3 C123 119.5(9) . . ?
C58 C3 C157 119.9(10) . . ?
C157 C3 C123 120.6(10) . . ?
C99 C4 C110 115.8(9) . . ?
C99 C4 C188 120.8(10) . . ?
C188 C4 C110 123.3(10) . . ?
C52 C5 H5 118.6 . . ?
C127 C5 H5 118.6 . . ?
C127 C5 C52 122.9(10) . . ?
C52 C6 C128 118.8(8) . . ?
C100 C6 C52 120.4(9) . . ?
C100 C6 C128 120.8(9) . . ?
C123 C7 C33 119.6(9) . . ?
C123 C7 C180 119.7(10) . . ?
C180 C7 C33 120.7(10) . . ?
C65 C8 H8 118.7 . . ?
C65 C8 C95 122.6(10) . . ?
C95 C8 H8 118.7 . . ?
C156 O9 C97 113.7(7) . . ?
C88 C10 C61 119.1(8) . . ?
C167 C10 C61 119.9(9) . . ?
C167 C10 C88 121.0(9) . . ?
C88 C11 C96 116.1(9) . . ?
C199 C11 C88 120.6(9) . . ?
C199 C11 C96 123.3(9) . . ?
C74 O12 C211 113.5(9) . . ?
C61 O13 C175 115.9(8) . . ?
C61 C14 C70 120.0(9) . . ?
O66 C14 C61 122.1(9) . . ?
O66 C14 C70 117.9(8) . . ?
C33 O15 C195 114.2(9) . . ?
C63 C16 H16 118.5 . . ?
C95 C16 H16 118.5 . . ?
C95 C16 C63 122.9(10) . . ?
O23 C17 C58 117.8(9) . . ?
C33 C17 O23 118.9(10) . . ?
C33 C17 C58 123.3(10) . . ?
C76 C18 C99 120.0(9) . . ?
C76 C18 C156 122.6(9) . . ?
C156 C18 C99 117.4(8) . . ?
C25 O19 C168 113.5(8) . . ?
N27 C20 C46 111.4(8) . . ?
C62 C20 N27 127.1(9) . . ?
C62 C20 C46 121.5(9) . . ?
N59 C21 C154 102.8(8) . . ?
C121 C21 N59 132.3(9) . . ?
C121 C21 C154 124.9(9) . . ?
C91 O22 C174 117.9(8) . . ?
C17 O23 C178 113.3(8) . . ?
C63 C24 C117 129.0(9) . . ?
C110 C24 C63 123.4(9) . . ?
C110 C24 C117 107.5(9) . . ?
O19 C25 C83 117.0(8) . . ?
O19 C25 C91 122.3(9) . . ?
C91 C25 C83 120.6(9) . . ?
C94 N26 C154 103.4(8) . . ?
C117 N27 C20 102.9(8) . . ?
C55 C28 H28 119.2 . . ?
C106 C28 H28 119.2 . . ?
C106 C28 C55 121.6(10) . . ?
C79 C29 C197 122.2(9) . . ?
C83 C29 C79 119.3(9) . . ?
C83 C29 C197 118.5(9) . . ?
C73 O30 C142 115.1(8) . . ?
C46 N31 C53 141.2(9) . . ?
C117 N31 C46 105.7(8) . . ?
C117 N31 C53 113.1(9) . . ?
C239 C32 C160 118.8(10) . . ?
C239 C32 C256 125.6(10) . . ?
C256 C32 C160 115.6(9) . . ?
O15 C33 C7 116.2(9) . . ?
C17 C33 C7 119.2(10) . . ?
C17 C33 O15 124.6(10) . . ?
C100 C34 C90 115.1(9) . . ?
C147 C34 C90 122.5(10) . . ?
C147 C34 C100 122.3(10) . . ?
C37 N35 C129 112.0(8) . . ?
C124 N35 C37 141.4(9) . . ?
C124 N35 C129 106.5(8) . . ?
C116 C36 C108 119.1(9) . . ?
C160 C36 C108 119.6(9) . . ?
C160 C36 C116 121.4(9) . . ?
N35 C37 C96 103.1(8) . . ?
O80 C37 N35 126.2(10) . . ?
O80 C37 C96 130.7(10) . . ?
C169 C38 C151 108.5(9) . . ?
C169 C38 C197 123.8(9) . . ?
C197 C38 C151 127.7(9) . . ?
C157 C39 H39 119.2 . . ?
C190 C39 H39 119.2 . . ?
C190 C39 C157 121.6(10) . . ?
C108 O40 C131 116.2(8) . . ?
C160 C41 C137 119.3(9) . . ?
C198 C41 C137 118.9(9) . . ?
C198 C41 C160 121.8(9) . . ?
O84 C42 C65 113.3(8) . . ?
C156 C42 C65 119.8(9) . . ?
C156 C42 O84 126.9(9) . . ?
C76 C43 C227 120.1(9) . . ?
C188 C43 C76 118.3(9) . . ?
C188 C43 C227 121.5(9) . . ?
C167 C44 C172 122.4(9) . . ?
C199 C44 C167 117.0(9) . . ?
C199 C44 C172 120.6(9) . . ?
C70 C45 H45 118.8 . . ?
C106 C45 H45 118.8 . . ?
C106 C45 C70 122.4(10) . . ?
N31 C46 C20 103.5(8) . . ?
C69 C46 C20 124.3(9) . . ?
C69 C46 N31 132.2(9) . . ?
C90 C47 C128 123.7(9) . . ?
C90 C47 C222 109.0(9) . . ?
C128 C47 C222 127.3(9) . . ?
C127 C48 H48 119.3 . . ?
C127 C48 C128 121.3(9) . . ?
C128 C48 H48 119.3 . . ?
C232 C49 C123 120.2(10) . . ?
C232 C49 C233 123.4(11) . . ?
C233 C49 C123 116.5(10) . . ?
C55 C50 C129 129.5(8) . . ?
C96 C50 C55 122.6(9) . . ?
C96 C50 C129 107.8(8) . . ?
C5 C52 C6 118.0(9) . . ?
C5 C52 C73 123.4(9) . . ?
C6 C52 C73 118.6(9) . . ?
N31 C53 C110 103.0(8) . . ?
O67 C53 N31 125.3(11) . . ?
O67 C53 C110 131.7(10) . . ?
C100 C54 C74 117.7(9) . . ?
C103 C54 C74 122.3(10) . . ?
C103 C54 C100 120.0(10) . . ?
C28 C55 C2 119.1(9) . . ?
C28 C55 C50 124.3(9) . . ?
C50 C55 C2 116.6(9) . . ?
C197 C56 H56 119.0 . . ?
C205 C56 H56 119.0 . . ?
C205 C56 C197 122.0(10) . . ?
C62 C57 N89 128.0(10) . . ?
C62 C57 C124 121.9(10) . . ?
N89 C57 C124 110.1(9) . . ?
C17 C58 C3 118.1(10) . . ?
C17 C58 C60 123.8(10) . . ?
C60 C58 C3 117.9(9) . . ?
C94 N59 C21 106.8(8) . . ?
C94 N59 C222 113.3(9) . . ?
C222 N59 C21 140.0(9) . . ?
C58 C60 H60 119.0 . . ?
C58 C60 C190 122.1(10) . . ?
C190 C60 H60 119.0 . . ?
O13 C61 C10 119.3(9) . . ?
O13 C61 C14 119.8(9) . . ?
C14 C61 C10 120.8(9) . . ?
C20 C62 H62 122.0 . . ?
C57 C62 C20 116.0(9) . . ?
C57 C62 H62 122.0 . . ?
C16 C63 C1 119.5(9) . . ?
C16 C63 C24 124.2(9) . . ?
C24 C63 C1 116.2(9) . . ?
C1 C65 C42 118.4(9) . . ?
C8 C65 C1 119.2(9) . . ?
C8 C65 C42 122.4(9) . . ?
C14 O66 C191 113.4(8) . . ?
C79 C68 C169 114.9(9) . . ?
C164 C68 C79 121.2(10) . . ?
C164 C68 C169 123.8(10) . . ?
C46 C69 H69 123.1 . . ?
C46 C69 C124 113.8(9) . . ?
C124 C69 H69 123.1 . . ?
C2 C70 C14 120.2(9) . . ?
C2 C70 C45 118.4(9) . . ?
C45 C70 C14 121.4(9) . . ?
N101 C71 C9AA 103.3(9) . . ?
C210 C71 N101 134.0(11) . . ?
C210 C71 C9AA 122.6(10) . . ?
C109 N72 C86 107.0(8) . . ?
C109 N72 C151 142.2(8) . . ?
C151 N72 C86 110.8(8) . . ?
O30 C73 C52 117.4(8) . . ?
C74 C73 O30 122.0(9) . . ?
C74 C73 C52 120.6(9) . . ?
O12 C74 C54 116.8(9) . . ?
C73 C74 O12 120.8(9) . . ?
C73 C74 C54 122.4(9) . . ?
C154 C75 H75 121.3 . . ?
C161 C75 H75 121.3 . . ?
C161 C75 C154 117.4(9) . . ?
C18 C76 C43 121.7(9) . . ?
C18 C76 H76 119.2 . . ?
C43 C76 H76 119.2 . . ?
C102 O77 C150 115.3(9) . . ?
C116 C78 C134 119.9(10) . . ?
C116 C78 C239 118.6(10) . . ?
C239 C78 C134 121.4(9) . . ?
C68 C79 C29 121.5(9) . . ?
C82 C79 C29 120.8(10) . . ?
C82 C79 C68 117.7(9) . . ?
C157 C81 C185 131.7(11) . . ?
C233 C81 C157 122.4(10) . . ?
C233 C81 C185 105.9(9) . . ?
C79 C82 C91 119.6(9) . . ?
C79 C82 C212 120.3(10) . . ?
C212 C82 C91 120.1(10) . . ?
C29 C83 C25 119.5(9) . . ?
C29 C83 C114 118.1(9) . . ?
C114 C83 C25 122.0(9) . . ?
C42 O84 C173 118.3(8) . . ?
C137 C85 H85 118.7 . . ?
C269 C85 H85 118.7 . . ?
C269 C85 C137 122.5(10) . . ?
N72 C86 C169 107.7(8) . . ?
N92 C86 N72 113.6(10) . . ?
N92 C86 C169 138.6(10) . . ?
H87A C87 H87B 107.5 . . ?
C98 C87 H87A 108.5 . . ?
C98 C87 H87B 108.5 . . ?
C107 C87 H87A 108.5 . . ?
C107 C87 H87B 108.5 . . ?
C107 C87 C98 114.9(9) . . ?
C10 C88 C2 119.8(9) . . ?
C10 C88 C11 117.9(9) . . ?
C11 C88 C2 122.3(9) . . ?
C129 N89 C57 104.0(9) . . ?
C34 C90 C94 130.1(10) . . ?
C47 C90 C34 122.1(10) . . ?
C47 C90 C94 107.7(9) . . ?
O22 C91 C25 122.4(10) . . ?
O22 C91 C82 117.5(9) . . ?
C25 C91 C82 120.0(9) . . ?
C86 N92 C161 105.0(9) . . ?
C198 C93 C193 131.3(11) . . ?
C256 C93 C193 107.0(10) . . ?
C256 C93 C198 121.7(10) . . ?
N26 C94 N59 115.3(9) . . ?
N26 C94 C90 138.4(10) . . ?
N59 C94 C90 106.3(9) . . ?
C8 C95 C125 119.2(10) . . ?
C16 C95 C8 117.3(9) . . ?
C16 C95 C125 123.4(10) . . ?
C11 C96 C37 128.2(9) . . ?
C50 C96 C11 122.1(9) . . ?
C50 C96 C37 109.8(8) . . ?
O9 C97 H97A 110.3 . . ?
O9 C97 H97B 110.3 . . ?
O9 C97 C107 107.0(8) . . ?
H97A C97 H97B 108.6 . . ?
C107 C97 H97A 110.3 . . ?
C107 C97 H97B 110.3 . . ?
C87 C98 H98A 108.8 . . ?
C87 C98 H98B 108.8 . . ?
C87 C98 C130 113.8(9) . . ?
H98A C98 H98B 107.7 . . ?
C130 C98 H98A 108.8 . . ?
C130 C98 H98B 108.8 . . ?
C1 C99 C18 119.0(9) . . ?
C4 C99 C1 123.0(9) . . ?
C4 C99 C18 117.9(9) . . ?
C6 C100 C54 120.2(9) . . ?
C34 C100 C6 123.3(9) . . ?
C34 C100 C54 116.4(9) . . ?
C71 N101 C228 139.1(10) . . ?
C193 N101 C71 108.9(9) . . ?
C193 N101 C228 111.8(9) . . ?
O77 C102 C108 120.6(9) . . ?
O77 C102 C137 117.1(8) . . ?
C108 C102 C137 122.3(9) . . ?
C54 C103 H103 118.7 . . ?
C54 C103 C135 122.6(10) . . ?
C135 C103 H103 118.7 . . ?
C127 C104 C162 107.2(9) . . ?
C158 C104 C127 108.7(9) . . ?
C158 C104 C162 108.2(10) . . ?
C242 C104 C127 113.4(9) . . ?
C242 C104 C158 110.0(10) . . ?
C242 C104 C162 109.3(10) . . ?
O165 C105 N206 127.1(11) . . ?
O165 C105 C233 130.1(11) . . ?
N206 C105 C233 102.7(9) . . ?
C28 C106 C45 118.8(9) . . ?
C28 C106 C136 121.8(10) . . ?
C45 C106 C136 119.4(9) . . ?
C87 C107 C97 115.3(9) . . ?
C87 C107 H10A 108.5 . . ?
C87 C107 H10B 108.5 . . ?
C97 C107 H10A 108.5 . . ?
C97 C107 H10B 108.5 . . ?
H10A C107 H10B 107.5 . . ?
O40 C108 C36 118.5(9) . . ?
O40 C108 C102 123.2(9) . . ?
C102 C108 C36 118.3(9) . . ?
N72 C109 C121 131.8(9) . . ?
N72 C109 C161 104.0(9) . . ?
C121 C109 C161 124.1(9) . . ?
C4 C110 C53 128.2(9) . . ?
C24 C110 C4 121.2(9) . . ?
C24 C110 C53 110.5(9) . . ?
H11H C111 H11I 108.3 . . ?
C215 C111 H11H 109.9 . . ?
C215 C111 H11I 109.9 . . ?
C271 C111 H11H 109.9 . . ?
C271 C111 H11I 109.9 . . ?
C271 C111 C215 108.8(12) . . ?
H11E C112 H11F 109.5 . . ?
H11E C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
C172 C112 H11E 109.5 . . ?
C172 C112 H11F 109.5 . . ?
C172 C112 H11G 109.5 . . ?
C180 C113 C214 119.2(11) . . ?
C232 C113 C180 116.4(11) . . ?
C232 C113 C214 124.3(11) . . ?
C83 C114 H114 118.5 . . ?
C205 C114 C83 123.1(10) . . ?
C205 C114 H114 118.5 . . ?
H11A C115 H11B 107.6 . . ?
C178 C115 H11A 108.6 . . ?
C178 C115 H11B 108.6 . . ?
C178 C115 C292 114.7(12) . . ?
C292 C115 H11A 108.6 . . ?
C292 C115 H11B 108.6 . . ?
C36 C116 H116 119.7 . . ?
C78 C116 C36 120.6(10) . . ?
C78 C116 H116 119.7 . . ?
N27 C117 C24 137.7(9) . . ?
N27 C117 N31 116.4(9) . . ?
N31 C117 C24 105.8(8) . . ?
C198 C118 H118 119.5 . . ?
C269 C118 H118 119.5 . . ?
C269 C118 C198 120.9(10) . . ?
H11C C119 H11D 107.6 . . ?
C141 C119 H11C 108.6 . . ?
C141 C119 H11D 108.6 . . ?
C5AA C119 H11C 108.6 . . ?
C5AA C119 H11D 108.6 . . ?
C5AA C119 C141 114.5(13) . . ?
C171 C120 C205 110.9(10) . . ?
C171 C120 C3BA 105.6(10) . . ?
C324 C120 C171 111.7(11) . . ?
C324 C120 C205 112.0(9) . . ?
C324 C120 C3BA 109.2(11) . . ?
C3BA C120 C205 107.0(10) . . ?
C21 C121 C109 113.0(9) . . ?
C21 C121 H121 123.5 . . ?
C109 C121 H121 123.5 . . ?
H12A C122 H12B 107.8 . . ?
C148 C122 H12A 109.1 . . ?
C148 C122 H12B 109.1 . . ?
C163 C122 H12A 109.1 . . ?
C163 C122 H12B 109.1 . . ?
C163 C122 C148 112.7(9) . . ?
C7 C123 C3 120.1(9) . . ?
C7 C123 C49 118.0(9) . . ?
C49 C123 C3 121.8(9) . . ?
N35 C124 C57 105.2(9) . . ?
N35 C124 C69 132.2(9) . . ?
C69 C124 C57 122.5(10) . . ?
C95 C125 C216 110.7(10) . . ?
C208 C125 C95 110.6(10) . . ?
C208 C125 C216 108.7(10) . . ?
C208 C125 C221 111.0(11) . . ?
C221 C125 C95 107.5(9) . . ?
C221 C125 C216 108.3(11) . . ?
C5 C127 C104 121.0(9) . . ?
C48 C127 C5 119.4(9) . . ?
C48 C127 C104 119.4(9) . . ?
C47 C128 C6 114.9(9) . . ?
C48 C128 C6 119.4(9) . . ?
C48 C128 C47 125.7(9) . . ?
N35 C129 C50 107.2(8) . . ?
N89 C129 N35 114.2(9) . . ?
N89 C129 C50 138.5(9) . . ?
C98 C130 H13H 109.3 . . ?
C98 C130 H13I 109.3 . . ?
H13H C130 H13I 107.9 . . ?
C179 C130 C98 111.7(13) . . ?
C179 C130 H13H 109.3 . . ?
C179 C130 H13I 109.3 . . ?
O40 C131 H13A 109.9 . . ?
O40 C131 H13B 109.9 . . ?
O40 C131 C201 109.1(9) . . ?
H13A C131 H13B 108.3 . . ?
C201 C131 H13A 109.9 . . ?
C201 C131 H13B 109.9 . . ?
H13J C132 H13K 107.6 . . ?
C142 C132 H13J 108.7 . . ?
C142 C132 H13K 108.7 . . ?
C142 C132 C271 114.3(11) . . ?
C271 C132 H13J 108.7 . . ?
C271 C132 H13K 108.7 . . ?
C78 C134 C144 110.3(9) . . ?
C78 C134 C181 107.0(9) . . ?
C139 C134 C78 113.2(10) . . ?
C139 C134 C144 109.0(10) . . ?
C139 C134 C181 108.1(11) . . ?
C181 C134 C144 109.1(11) . . ?
C103 C135 C147 117.5(9) . . ?
C103 C135 C152 119.9(10) . . ?
C147 C135 C152 122.2(10) . . ?
C155 C136 C106 111.4(9) . . ?
C155 C136 C226 109.2(10) . . ?
C226 C136 C106 111.1(9) . . ?
C243 C136 C106 107.4(9) . . ?
C243 C136 C155 109.0(11) . . ?
C243 C136 C226 108.7(11) . . ?
C85 C137 C41 118.1(10) . . ?
C85 C137 C102 123.1(9) . . ?
C102 C137 C41 118.8(9) . . ?
H13C C138 H13D 107.4 . . ?
C141 C138 H13C 108.3 . . ?
C141 C138 H13D 108.3 . . ?
C150 C138 H13C 108.3 . . ?
C150 C138 H13D 108.3 . . ?
C150 C138 C141 116.1(13) . . ?
C134 C139 H13E 109.5 . . ?
C134 C139 H13F 109.5 . . ?
C134 C139 H13G 109.5 . . ?
H13E C139 H13F 109.5 . . ?
H13E C139 H13G 109.5 . . ?
H13F C139 H13G 109.5 . . ?
C119 C141 H14A 108.8 . . ?
C119 C141 H14B 108.8 . . ?
C138 C141 C119 113.9(12) . . ?
C138 C141 H14A 108.8 . . ?
C138 C141 H14B 108.8 . . ?
H14A C141 H14B 107.7 . . ?
O30 C142 C132 106.2(9) . . ?
O30 C142 H14J 110.5 . . ?
O30 C142 H14K 110.5 . . ?
C132 C142 H14J 110.5 . . ?
C132 C142 H14K 110.5 . . ?
H14J C142 H14K 108.7 . . ?
C193 N143 C9AA 104.0(9) . . ?
C134 C144 H14C 109.5 . . ?
C134 C144 H14D 109.5 . . ?
C134 C144 H14E 109.5 . . ?
H14C C144 H14D 109.5 . . ?
H14C C144 H14E 109.5 . . ?
H14D C144 H14E 109.5 . . ?
H14F C145 H14G 107.2 . . ?
C159 C145 H14F 108.0 . . ?
C159 C145 H14G 108.0 . . ?
C191 C145 H14F 108.0 . . ?
C191 C145 H14G 108.0 . . ?
C191 C145 C159 117.2(15) . . ?
C248 C146 C190 113.2(10) . . ?
C248 C146 C260 108.9(10) . . ?
C248 C146 C275 108.2(11) . . ?
C260 C146 C190 110.3(10) . . ?
C275 C146 C190 107.5(9) . . ?
C275 C146 C260 108.8(10) . . ?
C34 C147 C135 121.0(10) . . ?
C34 C147 H147 119.5 . . ?
C135 C147 H147 119.5 . . ?
C122 C148 H14L 109.2 . . ?
C122 C148 H14M 109.2 . . ?
H14L C148 H14M 107.9 . . ?
C168 C148 C122 111.9(9) . . ?
C168 C148 H14L 109.2 . . ?
C168 C148 H14M 109.2 . . ?
H14H C149 H14I 107.4 . . ?
C231 C149 H14H 108.2 . . ?
C231 C149 H14I 108.2 . . ?
C263 C149 H14H 108.2 . . ?
C263 C149 H14I 108.2 . . ?
C263 C149 C231 116.4(11) . . ?
O77 C150 C138 110.2(11) . . ?
O77 C150 H15A 109.6 . . ?
O77 C150 H15B 109.6 . . ?
C138 C150 H15A 109.6 . . ?
C138 C150 H15B 109.6 . . ?
H15A C150 H15B 108.1 . . ?
O51 C151 C38 130.2(9) . . ?
O51 C151 N72 125.3(9) . . ?
N72 C151 C38 104.4(8) . . ?
C135 C152 C203 110.5(10) . . ?
C135 C152 C230 108.5(9) . . ?
C176 C152 C135 112.0(9) . . ?
C176 C152 C203 109.4(11) . . ?
C176 C152 C230 108.6(11) . . ?
C203 C152 C230 107.6(11) . . ?
C164 C153 C177 121.0(10) . . ?
C212 C153 C164 118.7(9) . . ?
C212 C153 C177 120.2(10) . . ?
N26 C154 C21 111.7(8) . . ?
C75 C154 C21 120.5(9) . . ?
C75 C154 N26 127.8(9) . . ?
C136 C155 H15C 109.5 . . ?
C136 C155 H15D 109.5 . . ?
C136 C155 H15E 109.5 . . ?
H15C C155 H15D 109.5 . . ?
H15C C155 H15E 109.5 . . ?
H15D C155 H15E 109.5 . . ?
O9 C156 C18 115.4(8) . . ?
C42 C156 O9 120.9(9) . . ?
C42 C156 C18 123.6(9) . . ?
C3 C157 C81 116.4(10) . . ?
C39 C157 C3 119.7(10) . . ?
C39 C157 C81 123.9(10) . . ?
C104 C158 H15H 109.5 . . ?
C104 C158 H15I 109.5 . . ?
C104 C158 H15J 109.5 . . ?
H15H C158 H15I 109.5 . . ?
H15H C158 H15J 109.5 . . ?
H15I C158 H15J 109.5 . . ?
C145 C159 H15F 109.2 . . ?
C145 C159 H15G 109.2 . . ?
C145 C159 C217 112.1(16) . . ?
H15F C159 H15G 107.9 . . ?
C217 C159 H15F 109.2 . . ?
C217 C159 H15G 109.2 . . ?
C36 C160 C32 118.2(9) . . ?
C36 C160 C41 121.6(9) . . ?
C41 C160 C32 120.2(9) . . ?
C75 C161 N92 129.5(9) . . ?
C75 C161 C109 120.1(10) . . ?
N92 C161 C109 110.4(9) . . ?
C104 C162 H16C 109.5 . . ?
C104 C162 H16D 109.5 . . ?
C104 C162 H16E 109.5 . . ?
H16C C162 H16D 109.5 . . ?
H16C C162 H16E 109.5 . . ?
H16D C162 H16E 109.5 . . ?
C122 C163 H16F 108.6 . . ?
C122 C163 H16G 108.6 . . ?
H16F C163 H16G 107.5 . . ?
C213 C163 C122 114.8(10) . . ?
C213 C163 H16F 108.6 . . ?
C213 C163 H16G 108.6 . . ?
C68 C164 C153 120.3(10) . . ?
C68 C164 H164 119.8 . . ?
C153 C164 H164 119.8 . . ?
H16A C166 H16B 107.6 . . ?
C173 C166 H16A 108.7 . . ?
C173 C166 H16B 108.7 . . ?
C173 C166 C200 114.3(10) . . ?
C200 C166 H16A 108.7 . . ?
C200 C166 H16B 108.7 . . ?
C10 C167 C44 121.1(9) . . ?
C10 C167 H167 119.5 . . ?
C44 C167 H167 119.5 . . ?
O19 C168 C148 107.7(9) . . ?
O19 C168 H16H 110.2 . . ?
O19 C168 H16I 110.2 . . ?
C148 C168 H16H 110.2 . . ?
C148 C168 H16I 110.2 . . ?
H16H C168 H16I 108.5 . . ?
C38 C169 C68 122.7(10) . . ?
C38 C169 C86 108.7(9) . . ?
C86 C169 C68 128.5(10) . . ?
H17C C170 H17D 107.6 . . ?
C200 C170 H17C 108.7 . . ?
C200 C170 H17D 108.7 . . ?
C200 C170 C0BA 114.3(11) . . ?
C0BA C170 H17C 108.7 . . ?
C0BA C170 H17D 108.7 . . ?
C120 C171 H17L 109.5 . . ?
C120 C171 H17M 109.5 . . ?
C120 C171 H17N 109.5 . . ?
H17L C171 H17M 109.5 . . ?
H17L C171 H17N 109.5 . . ?
H17M C171 H17N 109.5 . . ?
C44 C172 C241 110.8(9) . . ?
C112 C172 C44 111.4(9) . . ?
C112 C172 C241 109.5(11) . . ?
C262 C172 C44 107.6(9) . . ?
C262 C172 C112 109.6(11) . . ?
C262 C172 C241 107.8(10) . . ?
O84 C173 C166 110.2(10) . . ?
O84 C173 H17E 109.6 . . ?
O84 C173 H17F 109.6 . . ?
C166 C173 H17E 109.6 . . ?
C166 C173 H17F 109.6 . . ?
H17E C173 H17F 108.1 . . ?
O22 C174 H17O 110.1 . . ?
O22 C174 H17P 110.1 . . ?
O22 C174 C194 107.8(8) . . ?
H17O C174 H17P 108.5 . . ?
C194 C174 H17O 110.1 . . ?
C194 C174 H17P 110.1 . . ?
O13 C175 H17G 110.0 . . ?
O13 C175 H17H 110.0 . . ?
O13 C175 C231 108.6(9) . . ?
H17G C175 H17H 108.4 . . ?
C231 C175 H17G 110.0 . . ?
C231 C175 H17H 110.0 . . ?
C152 C176 H17Q 109.5 . . ?
C152 C176 H17R 109.5 . . ?
C152 C176 H17S 109.5 . . ?
H17Q C176 H17R 109.5 . . ?
H17Q C176 H17S 109.5 . . ?
H17R C176 H17S 109.5 . . ?
C249 C177 C153 112.1(10) . . ?
C297 C177 C153 108.2(10) . . ?
C297 C177 C249 100.5(15) . . ?
C13 C177 C153 111.6(11) . . ?
C13 C177 C249 102.9(15) . . ?
C13 C177 C297 120.8(16) . . ?
O23 C178 C115 107.1(10) . . ?
O23 C178 H17A 110.3 . . ?
O23 C178 H17B 110.3 . . ?
C115 C178 H17A 110.3 . . ?
C115 C178 H17B 110.3 . . ?
H17A C178 H17B 108.5 . . ?
C130 C179 H17I 109.5 . . ?
C130 C179 H17J 109.5 . . ?
C130 C179 H17K 109.5 . . ?
H17I C179 H17J 109.5 . . ?
H17I C179 H17K 109.5 . . ?
H17J C179 H17K 109.5 . . ?
C7 C180 C113 123.8(12) . . ?
C7 C180 H180 118.1 . . ?
C113 C180 H180 118.1 . . ?
C134 C181 H18A 109.5 . . ?
C134 C181 H18B 109.5 . . ?
C134 C181 H18C 109.5 . . ?
H18A C181 H18B 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
H18D C183 H18E 107.5 . . ?
C224 C183 H18D 108.5 . . ?
C224 C183 H18E 108.5 . . ?
C292 C183 H18D 108.5 . . ?
C292 C183 H18E 108.5 . . ?
C292 C183 C224 115.3(15) . . ?
N206 C185 C81 105.4(9) . . ?
N251 C185 C81 135.8(11) . . ?
N251 C185 N206 118.8(12) . . ?
H18F C186 H18G 109.5 . . ?
H18F C186 H18H 109.5 . . ?
H18G C186 H18H 109.5 . . ?
C227 C186 H18F 109.5 . . ?
C227 C186 H18G 109.5 . . ?
C227 C186 H18H 109.5 . . ?
H18I C187 H18J 108.0 . . ?
C244 C187 H18I 109.3 . . ?
C244 C187 H18J 109.3 . . ?
C246 C187 H18I 109.3 . . ?
C246 C187 H18J 109.3 . . ?
C246 C187 C244 111.6(14) . . ?
C4 C188 H188 119.4 . . ?
C43 C188 C4 121.2(10) . . ?
C43 C188 H188 119.4 . . ?
C39 C190 C60 118.6(10) . . ?
C39 C190 C146 123.5(10) . . ?
C60 C190 C146 117.8(11) . . ?
O66 C191 C145 108.1(10) . . ?
O66 C191 H19C 110.1 . . ?
O66 C191 H19D 110.1 . . ?
C145 C191 H19C 110.1 . . ?
C145 C191 H19D 110.1 . . ?
H19C C191 H19D 108.4 . . ?
N101 C193 C93 109.0(10) . . ?
N143 C193 C93 137.4(12) . . ?
N143 C193 N101 113.5(10) . . ?
C174 C194 H19E 108.4 . . ?
C174 C194 H19F 108.4 . . ?
H19E C194 H19F 107.4 . . ?
C220 C194 C174 115.7(10) . . ?
C220 C194 H19E 108.4 . . ?
C220 C194 H19F 108.4 . . ?
O15 C195 H19A 110.7 . . ?
O15 C195 H19B 110.7 . . ?
O15 C195 C261 105.2(10) . . ?
H19A C195 H19B 108.8 . . ?
C261 C195 H19A 110.7 . . ?
C261 C195 H19B 110.7 . . ?
H19G C196 H19H 107.6 . . ?
C252 C196 H19G 108.6 . . ?
C252 C196 H19H 108.6 . . ?
C5BA C196 H19G 108.6 . . ?
C5BA C196 H19H 108.6 . . ?
C5BA C196 C252 114.7(16) . . ?
C38 C197 C29 114.7(9) . . ?
C56 C197 C29 119.7(9) . . ?
C56 C197 C38 125.7(9) . . ?
C93 C198 C41 117.1(9) . . ?
C93 C198 C118 122.7(10) . . ?
C118 C198 C41 120.1(9) . . ?
C11 C199 C44 122.3(10) . . ?
C11 C199 H199 118.8 . . ?
C44 C199 H199 118.8 . . ?
C166 C200 H20E 108.9 . . ?
C166 C200 H20F 108.9 . . ?
C170 C200 C166 113.2(11) . . ?
C170 C200 H20E 108.9 . . ?
C170 C200 H20F 108.9 . . ?
H20E C200 H20F 107.7 . . ?
C131 C201 H20A 107.8 . . ?
C131 C201 H20B 107.9 . . ?
H20A C201 H20B 107.2 . . ?
C204 C201 C131 117.8(12) . . ?
C204 C201 H20A 107.8 . . ?
C204 C201 H20B 107.8 . . ?
H20G C202 H20H 109.5 . . ?
H20G C202 H20I 109.5 . . ?
H20H C202 H20I 109.5 . . ?
C227 C202 H20G 109.5 . . ?
C227 C202 H20H 109.5 . . ?
C227 C202 H20I 109.5 . . ?
C152 C203 H20M 109.5 . . ?
C152 C203 H20N 109.5 . . ?
C152 C203 H20O 109.5 . . ?
H20M C203 H20N 109.5 . . ?
H20M C203 H20O 109.5 . . ?
H20N C203 H20O 109.5 . . ?
C201 C204 H20C 108.9 . . ?
C201 C204 H20D 108.9 . . ?
C201 C204 C6AA 113.2(14) . . ?
H20C C204 H20D 107.7 . . ?
C6AA C204 H20C 108.9 . . ?
C6AA C204 H20D 108.9 . . ?
C56 C205 C120 118.8(10) . . ?
C114 C205 C56 118.4(10) . . ?
C114 C205 C120 122.6(10) . . ?
C105 N206 C185 115.2(10) . . ?
C105 N206 C218 139.1(10) . . ?
C185 N206 C218 105.6(10) . . ?
C125 C208 H20J 109.5 . . ?
C125 C208 H20K 109.5 . . ?
C125 C208 H20L 109.5 . . ?
H20J C208 H20K 109.5 . . ?
H20J C208 H20L 109.5 . . ?
H20K C208 H20L 109.5 . . ?
H20P C209 H20Q 107.9 . . ?
C238 C209 H20P 109.1 . . ?
C238 C209 H20Q 109.1 . . ?
C238 C209 C244 112(2) . . ?
C244 C209 H20P 109.1 . . ?
C244 C209 H20Q 109.1 . . ?
C71 C210 H210 123.5 . . ?
C71 C210 C218 113.0(11) . . ?
C218 C210 H210 123.5 . . ?
O12 C211 H21I 110.0 . . ?
O12 C211 H21J 110.0 . . ?
O12 C211 C246 108.4(11) . . ?
H21I C211 H21J 108.4 . . ?
C246 C211 H21I 110.0 . . ?
C246 C211 H21J 110.0 . . ?
C82 C212 H212 119.2 . . ?
C153 C212 C82 121.6(10) . . ?
C153 C212 H212 119.2 . . ?
C163 C213 H21K 109.0 . . ?
C163 C213 H21L 109.0 . . ?
H21K C213 H21L 107.8 . . ?
C253 C213 C163 113.0(12) . . ?
C253 C213 H21K 109.0 . . ?
C253 C213 H21L 109.0 . . ?
C274 C214 C113 103.1(14) . . ?
C274 C214 C290 110.0(18) . . ?
C290 C214 C113 108.7(12) . . ?
C311 C214 C113 114.6(13) . . ?
C311 C214 C274 114(2) . . ?
C311 C214 C290 106.8(19) . . ?
C111 C215 H21M 109.6 . . ?
C111 C215 H21N 109.6 . . ?
H21M C215 H21N 108.1 . . ?
C237 C215 C111 110.3(16) . . ?
C237 C215 H21M 109.6 . . ?
C237 C215 H21N 109.6 . . ?
C125 C216 H21A 109.5 . . ?
C125 C216 H21B 109.5 . . ?
C125 C216 H21C 109.5 . . ?
H21A C216 H21B 109.5 . . ?
H21A C216 H21C 109.5 . . ?
H21B C216 H21C 109.5 . . ?
C159 C217 H21D 107.4 . . ?
C159 C217 H21E 107.4 . . ?
H21D C217 H21E 106.9 . . ?
C2BA C217 C159 120(2) . . ?
C2BA C217 H21D 107.4 . . ?
C2BA C217 H21E 107.4 . . ?
C210 C218 N206 131.5(11) . . ?
C210 C218 C234 126.1(10) . . ?
C234 C218 N206 102.5(9) . . ?
C194 C220 H22I 108.5 . . ?
C194 C220 H22J 108.5 . . ?
H22I C220 H22J 107.5 . . ?
C252 C220 C194 115.2(11) . . ?
C252 C220 H22I 108.5 . . ?
C252 C220 H22J 108.5 . . ?
C125 C221 H22C 109.5 . . ?
C125 C221 H22D 109.5 . . ?
C125 C221 H22E 109.5 . . ?
H22C C221 H22D 109.5 . . ?
H22C C221 H22E 109.5 . . ?
H22D C221 H22E 109.5 . . ?
N59 C222 C47 103.6(8) . . ?
O64 C222 C47 129.5(9) . . ?
O64 C222 N59 126.9(9) . . ?
C183 C224 H22A 108.3 . . ?
C183 C224 H22B 108.3 . . ?
H22A C224 H22B 107.4 . . ?
C309 C224 C183 116.1(17) . . ?
C309 C224 H22A 108.3 . . ?
C309 C224 H22B 108.3 . . ?
C136 C226 H22F 109.5 . . ?
C136 C226 H22G 109.5 . . ?
C136 C226 H22H 109.5 . . ?
H22F C226 H22G 109.5 . . ?
H22F C226 H22H 109.5 . . ?
H22G C226 H22H 109.5 . . ?
C43 C227 C186 110.7(9) . . ?
C202 C227 C43 106.3(9) . . ?
C202 C227 C186 110.9(13) . . ?
C4BA C227 C43 111.6(10) . . ?
C4BA C227 C186 103.3(11) . . ?
C4BA C227 C202 114.1(13) . . ?
N101 C228 C256 103.0(9) . . ?
O126 C228 N101 127.7(11) . . ?
O126 C228 C256 129.2(10) . . ?
C152 C230 H23C 109.5 . . ?
C152 C230 H23D 109.5 . . ?
C152 C230 H23E 109.5 . . ?
H23C C230 H23D 109.5 . . ?
H23C C230 H23E 109.5 . . ?
H23D C230 H23E 109.5 . . ?
C149 C231 H23A 108.7 . . ?
C149 C231 H23B 108.7 . . ?
C175 C231 C149 114.4(10) . . ?
C175 C231 H23A 108.7 . . ?
C175 C231 H23B 108.7 . . ?
H23A C231 H23B 107.6 . . ?
C49 C232 H232 119.1 . . ?
C113 C232 C49 121.9(11) . . ?
C113 C232 H232 119.1 . . ?
C49 C233 C105 127.3(10) . . ?
C81 C233 C49 122.2(10) . . ?
C81 C233 C105 110.5(10) . . ?
C218 C234 N251 112.8(8) . . ?
C235 C234 C218 119.3(9) . . ?
C235 C234 N251 127.8(9) . . ?
C234 C235 H235 121.5 . . ?
C9AA C235 C234 116.9(9) . . ?
C9AA C235 H235 121.5 . . ?
C215 C237 H23F 109.5 . . ?
C215 C237 H23G 109.5 . . ?
C215 C237 H23H 109.5 . . ?
H23F C237 H23G 109.5 . . ?
H23F C237 H23H 109.5 . . ?
H23G C237 H23H 109.5 . . ?
C209 C238 H23I 109.5 . . ?
C209 C238 H23J 109.5 . . ?
C209 C238 H23K 109.5 . . ?
H23I C238 H23J 109.5 . . ?
H23I C238 H23K 109.5 . . ?
H23J C238 H23K 109.5 . . ?
C32 C239 C78 122.3(10) . . ?
C32 C239 H239 118.8 . . ?
C78 C239 H239 118.8 . . ?
H24A C240 H24B 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
C5AA C240 H24A 109.5 . . ?
C5AA C240 H24B 109.5 . . ?
C5AA C240 H24C 109.5 . . ?
C172 C241 H24G 109.5 . . ?
C172 C241 H24H 109.5 . . ?
C172 C241 H24I 109.5 . . ?
H24G C241 H24H 109.5 . . ?
H24G C241 H24I 109.5 . . ?
H24H C241 H24I 109.5 . . ?
C104 C242 H24M 109.5 . . ?
C104 C242 H24N 109.5 . . ?
C104 C242 H24O 109.5 . . ?
H24M C242 H24N 109.5 . . ?
H24M C242 H24O 109.5 . . ?
H24N C242 H24O 109.5 . . ?
C136 C243 H24J 109.5 . . ?
C136 C243 H24K 109.5 . . ?
C136 C243 H24L 109.5 . . ?
H24J C243 H24K 109.5 . . ?
H24J C243 H24L 109.5 . . ?
H24K C243 H24L 109.5 . . ?
C187 C244 H24P 109.7 . . ?
C187 C244 H24Q 109.7 . . ?
C209 C244 C187 109.9(16) . . ?
C209 C244 H24P 109.7 . . ?
C209 C244 H24Q 109.7 . . ?
H24P C244 H24Q 108.2 . . ?
C187 C246 C211 113.0(13) . . ?
C187 C246 H24R 109.0 . . ?
C187 C246 H24S 109.0 . . ?
C211 C246 H24R 109.0 . . ?
C211 C246 H24S 109.0 . . ?
H24R C246 H24S 107.8 . . ?
C146 C248 H24D 109.5 . . ?
C146 C248 H24E 109.5 . . ?
C146 C248 H24F 109.5 . . ?
H24D C248 H24E 109.5 . . ?
H24D C248 H24F 109.5 . . ?
H24E C248 H24F 109.5 . . ?
C177 C249 H24T 109.5 . . ?
C177 C249 H24U 109.5 . . ?
C177 C249 H24V 109.5 . . ?
H24T C249 H24U 109.5 . . ?
H24T C249 H24V 109.5 . . ?
H24U C249 H24V 109.5 . . ?
C185 N251 C234 100.2(10) . . ?
C196 C252 C220 113.5(13) . . ?
C196 C252 H25A 108.9 . . ?
C196 C252 H25B 108.9 . . ?
C220 C252 H25A 108.9 . . ?
C220 C252 H25B 108.9 . . ?
H25A C252 H25B 107.7 . . ?
C213 C253 H25C 109.5 . . ?
C213 C253 H25D 109.5 . . ?
C213 C253 H25E 109.5 . . ?
H25C C253 H25D 109.5 . . ?
H25C C253 H25E 109.5 . . ?
H25D C253 H25E 109.5 . . ?
C32 C256 C228 127.4(10) . . ?
C93 C256 C32 123.4(9) . . ?
C93 C256 C228 109.2(9) . . ?
C269 C257 C4AA 110.8(10) . . ?
C2AA C257 C269 110.8(10) . . ?
C2AA C257 C4AA 109.4(13) . . ?
C2AA C257 C3AA 110.9(13) . . ?
C3AA C257 C269 107.3(11) . . ?
C3AA C257 C4AA 107.5(13) . . ?
C146 C260 H26A 109.5 . . ?
C146 C260 H26B 109.5 . . ?
C146 C260 H26C 109.5 . . ?
H26A C260 H26B 109.5 . . ?
H26A C260 H26C 109.5 . . ?
H26B C260 H26C 109.5 . . ?
C195 C261 H26D 108.6 . . ?
C195 C261 H26E 108.6 . . ?
H26D C261 H26E 107.6 . . ?
C293 C261 C195 114.6(14) . . ?
C293 C261 H26D 108.6 . . ?
C293 C261 H26E 108.6 . . ?
C172 C262 H26F 109.5 . . ?
C172 C262 H26G 109.5 . . ?
C172 C262 H26H 109.5 . . ?
H26F C262 H26G 109.5 . . ?
H26F C262 H26H 109.5 . . ?
H26G C262 H26H 109.5 . . ?
C149 C263 H26I 108.6 . . ?
C149 C263 H26J 108.6 . . ?
C149 C263 C267 114.6(11) . . ?
H26I C263 H26J 107.6 . . ?
C267 C263 H26I 108.6 . . ?
C267 C263 H26J 108.6 . . ?
C263 C267 H26K 108.1 . . ?
C263 C267 H26L 108.1 . . ?
H26K C267 H26L 107.3 . . ?
C347 C267 C263 116.7(14) . . ?
C347 C267 H26K 108.1 . . ?
C347 C267 H26L 108.1 . . ?
C85 C269 C257 118.1(10) . . ?
C118 C269 C85 119.4(10) . . ?
C118 C269 C257 122.4(10) . . ?
C111 C271 H27G 109.1 . . ?
C111 C271 H27H 109.1 . . ?
C132 C271 C111 112.5(12) . . ?
C132 C271 H27G 109.1 . . ?
C132 C271 H27H 109.1 . . ?
H27G C271 H27H 107.8 . . ?
C214 C274 H27A 109.5 . . ?
C214 C274 H27B 109.5 . . ?
C214 C274 H27C 109.5 . . ?
H27A C274 H27B 109.5 . . ?
H27A C274 H27C 109.5 . . ?
H27B C274 H27C 109.5 . . ?
C146 C275 H27D 109.5 . . ?
C146 C275 H27E 109.5 . . ?
C146 C275 H27F 109.5 . . ?
H27D C275 H27E 109.5 . . ?
H27D C275 H27F 109.5 . . ?
H27E C275 H27F 109.5 . . ?
C214 C290 H29A 109.5 . . ?
C214 C290 H29B 109.5 . . ?
C214 C290 H29C 109.5 . . ?
H29A C290 H29B 109.5 . . ?
H29A C290 H29C 109.5 . . ?
H29B C290 H29C 109.5 . . ?
C115 C292 H29D 108.5 . . ?
C115 C292 H29E 108.5 . . ?
C183 C292 C115 114.9(13) . . ?
C183 C292 H29D 108.5 . . ?
C183 C292 H29E 108.5 . . ?
H29D C292 H29E 107.5 . . ?
C261 C293 H29F 108.4 . . ?
C261 C293 H29G 108.4 . . ?
H29F C293 H29G 107.5 . . ?
C0AA C293 C261 115.4(13) . . ?
C0AA C293 H29F 108.4 . . ?
C0AA C293 H29G 108.4 . . ?
C177 C297 H29H 109.5 . . ?
C177 C297 H29I 109.5 . . ?
C177 C297 H29J 109.5 . . ?
H29H C297 H29I 109.5 . . ?
H29H C297 H29J 109.5 . . ?
H29I C297 H29J 109.5 . . ?
C224 C309 H30A 109.5 . . ?
C224 C309 H30B 109.5 . . ?
C224 C309 H30C 109.5 . . ?
H30A C309 H30B 109.5 . . ?
H30A C309 H30C 109.5 . . ?
H30B C309 H30C 109.5 . . ?
C214 C311 H31A 109.5 . . ?
C214 C311 H31B 109.5 . . ?
C214 C311 H31C 109.5 . . ?
H31A C311 H31B 109.5 . . ?
H31A C311 H31C 109.5 . . ?
H31B C311 H31C 109.5 . . ?
C120 C324 H32A 109.5 . . ?
C120 C324 H32B 109.5 . . ?
C120 C324 H32C 109.5 . . ?
H32A C324 H32B 109.5 . . ?
H32A C324 H32C 109.5 . . ?
H32B C324 H32C 109.5 . . ?
C267 C347 H34A 109.5 . . ?
C267 C347 H34B 109.5 . . ?
C267 C347 H34C 109.5 . . ?
H34A C347 H34B 109.5 . . ?
H34A C347 H34C 109.5 . . ?
H34B C347 H34C 109.5 . . ?
H21F C219 H21G 109.5 . . ?
H21F C219 H21H 109.5 . . ?
H21G C219 H21H 109.5 . . ?
C0BA C219 H21F 109.5 . . ?
C0BA C219 H21G 109.5 . . ?
C0BA C219 H21H 109.5 . . ?
H1AC C1AA H1AD 106.6 . . ?
H1AA C1AA H1AB 106.9 . . ?
C0AA C1AA H1AC 106.8 . . ?
C0AA C1AA H1AD 106.8 . . ?
C0AA C1AA H1AA 107.3 . . ?
C0AA C1AA H1AB 107.3 . . ?
C0AA C1AA C6BA 122(2) . . ?
C6BA C1AA H1AC 106.8 . . ?
C6BA C1AA H1AD 106.8 . . ?
C7BA C1AA H1AA 107.3 . . ?
C7BA C1AA H1AB 107.3 . . ?
C7BA C1AA C0AA 120(2) . . ?
C119 C5AA H5AA 107.9 . . ?
C119 C5AA H5AB 107.9 . . ?
C240 C5AA C119 117.5(18) . . ?
C240 C5AA H5AA 107.9 . . ?
C240 C5AA H5AB 107.9 . . ?
H5AA C5AA H5AB 107.2 . . ?
C257 C4AA H4AA 109.5 . . ?
C257 C4AA H4AB 109.5 . . ?
C257 C4AA H4AC 109.5 . . ?
H4AA C4AA H4AB 109.5 . . ?
H4AA C4AA H4AC 109.5 . . ?
H4AB C4AA H4AC 109.5 . . ?
C257 C2AA H2AA 109.5 . . ?
C257 C2AA H2AB 109.5 . . ?
C257 C2AA H2AC 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
C293 C0AA H0AA 108.3 . . ?
C293 C0AA H0AB 108.3 . . ?
C1AA C0AA C293 115.9(16) . . ?
C1AA C0AA H0AA 108.3 . . ?
C1AA C0AA H0AB 108.3 . . ?
H0AA C0AA H0AB 107.4 . . ?
H7AA C7AA H7AB 107.6 . . ?
C6AA C7AA H7AA 108.6 . . ?
C6AA C7AA H7AB 108.6 . . ?
C8AA C7AA H7AA 108.6 . . ?
C8AA C7AA H7AB 108.6 . . ?
C8AA C7AA C6AA 114.6(15) . . ?
C257 C3AA H3AA 109.5 . . ?
C257 C3AA H3AB 109.5 . . ?
C257 C3AA H3AC 109.5 . . ?
H3AA C3AA H3AB 109.5 . . ?
H3AA C3AA H3AC 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
C204 C6AA C7AA 115.9(13) . . ?
C204 C6AA H6AA 108.3 . . ?
C204 C6AA H6AB 108.3 . . ?
C7AA C6AA H6AA 108.3 . . ?
C7AA C6AA H6AB 108.3 . . ?
H6AA C6AA H6AB 107.4 . . ?
C7AA C8AA H8AA 109.5 . . ?
C7AA C8AA H8AB 109.5 . . ?
C7AA C8AA H8AC 109.5 . . ?
H8AA C8AA H8AB 109.5 . . ?
H8AA C8AA H8AC 109.5 . . ?
H8AB C8AA H8AC 109.5 . . ?
N143 C9AA C71 110.2(8) . . ?
C235 C9AA C71 122.0(9) . . ?
C235 C9AA N143 127.8(9) . . ?
C227 C4BA H4BA 109.5 . . ?
C227 C4BA H4BB 109.5 . . ?
C227 C4BA H4BC 109.5 . . ?
H4BA C4BA H4BB 109.5 . . ?
H4BA C4BA H4BC 109.5 . . ?
H4BB C4BA H4BC 109.5 . . ?
C170 C0BA H0BA 108.8 . . ?
C170 C0BA H0BB 108.8 . . ?
C219 C0BA C170 113.8(13) . . ?
C219 C0BA H0BA 108.8 . . ?
C219 C0BA H0BB 108.8 . . ?
H0BA C0BA H0BB 107.7 . . ?
C120 C3BA H3BA 109.5 . . ?
C120 C3BA H3BB 109.5 . . ?
C120 C3BA H3BC 109.5 . . ?
H3BA C3BA H3BB 109.5 . . ?
H3BA C3BA H3BC 109.5 . . ?
H3BB C3BA H3BC 109.5 . . ?
C177 C13 H13L 109.5 . . ?
C177 C13 H13M 109.5 . . ?
C177 C13 H13N 109.5 . . ?
H13L C13 H13M 109.5 . . ?
H13L C13 H13N 109.5 . . ?
H13M C13 H13N 109.5 . . ?
H1BA C1BA H1BB 109.5 . . ?
H1BA C1BA H1BC 109.5 . . ?
H1BB C1BA H1BC 109.5 . . ?
C2BA C1BA H1BA 109.5 . . ?
C2BA C1BA H1BB 109.5 . . ?
C2BA C1BA H1BC 109.5 . . ?
C217 C2BA C1BA 109(2) . . ?
C217 C2BA H2BA 109.9 . . ?
C217 C2BA H2BB 109.9 . . ?
C1BA C2BA H2BA 109.9 . . ?
C1BA C2BA H2BB 109.9 . . ?
H2BA C2BA H2BB 108.3 . . ?
C196 C5BA H5BA 109.5 . . ?
C196 C5BA H5BB 109.5 . . ?
C196 C5BA H5BC 109.5 . . ?
H5BA C5BA H5BB 109.5 . . ?
H5BA C5BA H5BC 109.5 . . ?
H5BB C5BA H5BC 109.5 . . ?
C1AA C6BA H6BA 109.5 . . ?
C1AA C6BA H6BB 109.5 . . ?
C1AA C6BA H6BC 109.5 . . ?
H6BA C6BA H6BB 109.5 . . ?
H6BA C6BA H6BC 109.5 . . ?
H6BB C6BA H6BC 109.5 . . ?
C1AA C7BA H7BA 109.5 . . ?
C1AA C7BA H7BB 109.5 . . ?
C1AA C7BA H7BC 109.5 . . ?
H7BA C7BA H7BB 109.5 . . ?
H7BA C7BA H7BC 109.5 . . ?
H7BB C7BA H7BC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C58 C60 C190 -1.2(15) . . . . ?
C5 C52 C73 O30 4.4(15) . . . . ?
C5 C52 C73 C74 -175.6(10) . . . . ?
C6 C52 C73 O30 -176.4(9) . . . . ?
C6 C52 C73 C74 3.6(15) . . . . ?
C8 C95 C125 C208 -60.5(14) . . . . ?
C8 C95 C125 C216 178.9(10) . . . . ?
C8 C95 C125 C221 60.8(14) . . . . ?
O9 C97 C107 C87 69.1(12) . . . . ?
O12 C211 C246 C187 -64.7(18) . . . . ?
O13 C175 C231 C149 55.3(14) . . . . ?
C14 O66 C191 C145 -174.1(12) . . . . ?
O15 C195 C261 C293 -69.7(18) . . . . ?
C16 C95 C125 C208 115.6(12) . . . . ?
C16 C95 C125 C216 -4.9(15) . . . . ?
C16 C95 C125 C221 -123.0(12) . . . . ?
C17 O23 C178 C115 -169.5(10) . . . . ?
C17 C58 C60 C190 173.3(11) . . . . ?
O19 C25 C83 C29 -178.5(8) . . . . ?
O19 C25 C83 C114 7.9(14) . . . . ?
O19 C25 C91 O22 -3.7(16) . . . . ?
O19 C25 C91 C82 -179.3(9) . . . . ?
C20 N27 C117 C24 -178.2(12) . . . . ?
C20 N27 C117 N31 -1.5(12) . . . . ?
C20 C46 C69 C124 0.6(15) . . . . ?
C21 N59 C94 N26 -1.9(12) . . . . ?
C21 N59 C94 C90 179.6(8) . . . . ?
C21 N59 C222 C47 -177.2(11) . . . . ?
C21 N59 C222 O64 3(2) . . . . ?
O22 C174 C194 C220 -58.7(14) . . . . ?
O23 C17 C33 C7 176.6(9) . . . . ?
O23 C17 C33 O15 -4.3(16) . . . . ?
O23 C17 C58 C3 -179.4(9) . . . . ?
O23 C17 C58 C60 6.1(16) . . . . ?
C25 O19 C168 C148 172.4(9) . . . . ?
C25 C83 C114 C205 176.2(10) . . . . ?
N27 C20 C46 N31 1.2(11) . . . . ?
N27 C20 C46 C69 -179.7(9) . . . . ?
N27 C20 C62 C57 179.9(10) . . . . ?
C28 C106 C136 C155 -14.7(15) . . . . ?
C28 C106 C136 C226 -136.7(12) . . . . ?
C28 C106 C136 C243 104.5(13) . . . . ?
C29 C79 C82 C91 2.0(15) . . . . ?
C29 C79 C82 C212 -176.3(9) . . . . ?
C29 C83 C114 C205 2.5(15) . . . . ?
O30 C73 C74 O12 -3.3(15) . . . . ?
O30 C73 C74 C54 177.8(9) . . . . ?
N31 C46 C69 C124 179.4(10) . . . . ?
N31 C53 C110 C4 -178.0(10) . . . . ?
N31 C53 C110 C24 1.7(11) . . . . ?
C33 C7 C123 C3 -0.5(15) . . . . ?
C33 C7 C123 C49 178.5(9) . . . . ?
C33 C7 C180 C113 -179.8(11) . . . . ?
C33 O15 C195 C261 171.7(12) . . . . ?
C33 C17 O23 C178 80.5(12) . . . . ?
C33 C17 C58 C3 -1.2(16) . . . . ?
C33 C17 C58 C60 -175.7(10) . . . . ?
C34 C90 C94 N26 1(2) . . . . ?
C34 C90 C94 N59 178.8(10) . . . . ?
N35 C37 C96 C11 -177.4(10) . . . . ?
N35 C37 C96 C50 2.3(11) . . . . ?
C37 N35 C124 C57 178.4(12) . . . . ?
C37 N35 C124 C69 -5(2) . . . . ?
C37 N35 C129 C50 2.2(12) . . . . ?
C37 N35 C129 N89 -179.2(9) . . . . ?
O40 C131 C201 C204 48.4(17) . . . . ?
C42 O84 C173 C166 -149.7(10) . . . . ?
C45 C106 C136 C155 167.2(10) . . . . ?
C45 C106 C136 C226 45.3(15) . . . . ?
C45 C106 C136 C243 -73.5(13) . . . . ?
C46 C20 N27 C117 0.1(11) . . . . ?
C46 C20 C62 C57 -0.1(15) . . . . ?
C46 N31 C53 O67 -4(2) . . . . ?
C46 N31 C53 C110 177.7(12) . . . . ?
C46 N31 C117 C24 -180.0(8) . . . . ?
C46 N31 C117 N27 2.4(12) . . . . ?
C46 C69 C124 N35 -178.3(11) . . . . ?
C46 C69 C124 C57 -1.6(15) . . . . ?
C47 C90 C94 N26 179.6(12) . . . . ?
C47 C90 C94 N59 -2.5(12) . . . . ?
C52 C5 C127 C48 2.9(16) . . . . ?
C52 C5 C127 C104 -172.4(10) . . . . ?
C52 C6 C100 C34 -178.8(9) . . . . ?
C52 C6 C100 C54 0.0(14) . . . . ?
C52 C6 C128 C47 -179.0(9) . . . . ?
C52 C6 C128 C48 3.5(15) . . . . ?
C52 C73 C74 O12 176.7(9) . . . . ?
C52 C73 C74 C54 -2.2(15) . . . . ?
C53 N31 C46 C20 -179.9(12) . . . . ?
C53 N31 C46 C69 1(2) . . . . ?
C53 N31 C117 C24 -1.4(11) . . . . ?
C53 N31 C117 N27 -179.0(9) . . . . ?
C54 C103 C135 C147 -1.5(16) . . . . ?
C54 C103 C135 C152 -175.4(10) . . . . ?
C55 C2 C70 C14 179.2(9) . . . . ?
C55 C2 C70 C45 0.5(14) . . . . ?
C55 C2 C88 C10 -179.9(9) . . . . ?
C55 C2 C88 C11 0.2(14) . . . . ?
C55 C28 C106 C45 3.1(16) . . . . ?
C55 C28 C106 C136 -175.0(10) . . . . ?
C55 C50 C96 C11 -2.9(16) . . . . ?
C55 C50 C96 C37 177.4(9) . . . . ?
C55 C50 C129 N35 -178.9(10) . . . . ?
C55 C50 C129 N89 3(2) . . . . ?
C57 N89 C129 N35 0.4(12) . . . . ?
C57 N89 C129 C50 178.4(13) . . . . ?
C58 C3 C123 C7 -2.3(15) . . . . ?
C58 C3 C123 C49 178.7(10) . . . . ?
C58 C3 C157 C39 3.5(15) . . . . ?
C58 C3 C157 C81 -178.2(9) . . . . ?
C58 C17 O23 C178 -101.2(11) . . . . ?
C58 C17 C33 C7 -1.6(16) . . . . ?
C58 C17 C33 O15 177.6(10) . . . . ?
C58 C60 C190 C39 4.7(16) . . . . ?
C58 C60 C190 C146 -173.8(10) . . . . ?
N59 C21 C121 C109 178.8(10) . . . . ?
N59 C21 C154 N26 -2.1(12) . . . . ?
N59 C21 C154 C75 -179.4(10) . . . . ?
C61 C10 C88 C2 0.7(14) . . . . ?
C61 C10 C88 C11 -179.4(9) . . . . ?
C61 C10 C167 C44 -176.5(9) . . . . ?
C61 O13 C175 C231 166.7(9) . . . . ?
C61 C14 O66 C191 -77.2(14) . . . . ?
C61 C14 C70 C2 0.6(15) . . . . ?
C61 C14 C70 C45 179.3(10) . . . . ?
C62 C20 N27 C117 -179.9(10) . . . . ?
C62 C20 C46 N31 -178.8(9) . . . . ?
C62 C20 C46 C69 0.3(17) . . . . ?
C62 C57 N89 C129 -179.6(11) . . . . ?
C62 C57 C124 N35 179.3(10) . . . . ?
C62 C57 C124 C69 1.9(16) . . . . ?
C63 C1 C65 C8 1.2(15) . . . . ?
C63 C1 C65 C42 -178.9(9) . . . . ?
C63 C1 C99 C4 -0.3(14) . . . . ?
C63 C1 C99 C18 175.2(9) . . . . ?
C63 C16 C95 C8 -2.8(16) . . . . ?
C63 C16 C95 C125 -179.0(10) . . . . ?
C63 C24 C110 C4 -0.2(16) . . . . ?
C63 C24 C110 C53 -180.0(9) . . . . ?
C63 C24 C117 N27 -3(2) . . . . ?
C63 C24 C117 N31 179.6(10) . . . . ?
C65 C1 C63 C16 -1.5(14) . . . . ?
C65 C1 C63 C24 -178.8(9) . . . . ?
C65 C1 C99 C4 -177.8(10) . . . . ?
C65 C1 C99 C18 -2.2(14) . . . . ?
C65 C8 C95 C16 2.5(16) . . . . ?
C65 C8 C95 C125 178.8(10) . . . . ?
C65 C42 O84 C173 136.7(9) . . . . ?
C65 C42 C156 O9 179.0(9) . . . . ?
C65 C42 C156 C18 1.7(16) . . . . ?
O66 C14 C61 C10 -178.0(9) . . . . ?
O66 C14 C61 O13 5.5(16) . . . . ?
O66 C14 C70 C2 178.6(9) . . . . ?
O66 C14 C70 C45 -2.7(15) . . . . ?
O67 C53 C110 C4 3.7(19) . . . . ?
O67 C53 C110 C24 -176.6(11) . . . . ?
C68 C79 C82 C91 -177.9(9) . . . . ?
C68 C79 C82 C212 3.7(15) . . . . ?
C70 C2 C55 C28 0.4(15) . . . . ?
C70 C2 C55 C50 -178.9(9) . . . . ?
C70 C2 C88 C10 -0.2(14) . . . . ?
C70 C2 C88 C11 179.9(9) . . . . ?
C70 C14 C61 C10 0.0(15) . . . . ?
C70 C14 C61 O13 -176.6(9) . . . . ?
C70 C14 O66 C191 104.9(12) . . . . ?
C70 C45 C106 C28 -2.1(16) . . . . ?
C70 C45 C106 C136 176.0(10) . . . . ?
C71 N101 C193 C93 178.4(9) . . . . ?
C71 N101 C193 N143 0.5(12) . . . . ?
C71 N101 C228 O126 2(2) . . . . ?
C71 N101 C228 C256 -175.0(12) . . . . ?
C71 C210 C218 N206 179.0(10) . . . . ?
C71 C210 C218 C234 -1.2(17) . . . . ?
N72 C86 N92 C161 -1.7(12) . . . . ?
N72 C86 C169 C38 1.0(12) . . . . ?
N72 C86 C169 C68 178.9(10) . . . . ?
N72 C109 C121 C21 -179.8(10) . . . . ?
N72 C109 C161 C75 -179.4(9) . . . . ?
N72 C109 C161 N92 0.4(11) . . . . ?
C73 O30 C142 C132 -164.6(9) . . . . ?
C74 O12 C211 C246 175.9(11) . . . . ?
C74 C54 C100 C6 1.4(14) . . . . ?
C74 C54 C100 C34 -179.7(9) . . . . ?
C74 C54 C103 C135 179.6(10) . . . . ?
C76 C18 C99 C1 -175.0(9) . . . . ?
C76 C18 C99 C4 0.8(14) . . . . ?
C76 C18 C156 O9 -2.3(14) . . . . ?
C76 C18 C156 C42 175.1(10) . . . . ?
C76 C43 C188 C4 4.4(16) . . . . ?
C76 C43 C227 C186 41.2(14) . . . . ?
C76 C43 C227 C202 -79.3(16) . . . . ?
C76 C43 C227 C4BA 155.7(12) . . . . ?
O77 C102 C108 C36 -173.9(9) . . . . ?
O77 C102 C108 O40 4.3(16) . . . . ?
O77 C102 C137 C41 176.2(9) . . . . ?
O77 C102 C137 C85 -3.7(15) . . . . ?
C79 C29 C83 C25 -0.6(14) . . . . ?
C79 C29 C83 C114 173.2(9) . . . . ?
C79 C29 C197 C38 5.0(15) . . . . ?
C79 C29 C197 C56 -175.2(9) . . . . ?
C79 C68 C164 C153 0.9(16) . . . . ?
C79 C68 C169 C38 0.1(15) . . . . ?
C79 C68 C169 C86 -177.4(10) . . . . ?
C79 C82 C91 O22 -180.0(9) . . . . ?
C79 C82 C91 C25 -4.2(15) . . . . ?
C79 C82 C212 C153 -3.5(16) . . . . ?
O80 C37 C96 C11 5.4(18) . . . . ?
O80 C37 C96 C50 -174.9(11) . . . . ?
C81 C185 N206 C105 -5.4(13) . . . . ?
C81 C185 N206 C218 176.7(9) . . . . ?
C81 C185 N251 C234 -177.8(12) . . . . ?
C83 C25 C91 O22 179.5(9) . . . . ?
C83 C25 C91 C82 3.9(15) . . . . ?
C83 C29 C79 C68 -179.8(9) . . . . ?
C83 C29 C79 C82 0.3(15) . . . . ?
C83 C29 C197 C38 -176.5(9) . . . . ?
C83 C29 C197 C56 3.3(15) . . . . ?
C83 C114 C205 C56 2.5(17) . . . . ?
C83 C114 C205 C120 -171.5(10) . . . . ?
O84 C42 C65 C1 -179.4(9) . . . . ?
O84 C42 C65 C8 0.5(14) . . . . ?
O84 C42 C156 O9 0.3(16) . . . . ?
O84 C42 C156 C18 -177.0(9) . . . . ?
C86 N72 C109 C121 -179.2(11) . . . . ?
C86 N72 C109 C161 -1.4(11) . . . . ?
C86 N72 C151 C38 1.6(11) . . . . ?
C86 N72 C151 O51 -176.3(10) . . . . ?
C86 N92 C161 C75 -179.4(11) . . . . ?
C86 N92 C161 C109 0.8(12) . . . . ?
C87 C98 C130 C179 174.2(12) . . . . ?
C88 C2 C55 C28 -179.9(9) . . . . ?
C88 C2 C55 C50 0.8(14) . . . . ?
C88 C2 C70 C14 -0.4(15) . . . . ?
C88 C2 C70 C45 -179.2(9) . . . . ?
C88 C10 C61 O13 176.0(9) . . . . ?
C88 C10 C61 C14 -0.6(15) . . . . ?
C88 C10 C167 C44 0.1(15) . . . . ?
C88 C11 C96 C37 -176.6(9) . . . . ?
C88 C11 C96 C50 3.7(14) . . . . ?
C88 C11 C199 C44 -0.3(15) . . . . ?
N89 C57 C62 C20 178.6(10) . . . . ?
N89 C57 C124 N35 -0.2(12) . . . . ?
N89 C57 C124 C69 -177.7(9) . . . . ?
C90 C34 C100 C6 -2.4(14) . . . . ?
C90 C34 C100 C54 178.7(9) . . . . ?
C90 C34 C147 C135 -178.0(10) . . . . ?
C90 C47 C128 C6 -1.8(15) . . . . ?
C90 C47 C128 C48 175.5(10) . . . . ?
C90 C47 C222 N59 -3.6(11) . . . . ?
C90 C47 C222 O64 176.1(11) . . . . ?
C91 O22 C174 C194 147.4(10) . . . . ?
C91 C25 C83 C29 -1.6(15) . . . . ?
C91 C25 C83 C114 -175.1(10) . . . . ?
C91 C82 C212 C153 178.1(10) . . . . ?
N92 C86 C169 C38 175.5(13) . . . . ?
N92 C86 C169 C68 -7(2) . . . . ?
C94 N26 C154 C21 1.0(12) . . . . ?
C94 N26 C154 C75 178.1(11) . . . . ?
C94 N59 C222 C47 2.1(11) . . . . ?
C94 N59 C222 O64 -177.7(10) . . . . ?
C95 C8 C65 C1 -1.7(16) . . . . ?
C95 C8 C65 C42 178.4(10) . . . . ?
C95 C16 C63 C1 2.4(16) . . . . ?
C95 C16 C63 C24 179.5(10) . . . . ?
C96 C11 C88 C2 -2.4(14) . . . . ?
C96 C11 C88 C10 177.7(9) . . . . ?
C96 C11 C199 C44 177.9(10) . . . . ?
C96 C50 C55 C2 0.6(14) . . . . ?
C96 C50 C55 C28 -178.7(10) . . . . ?
C96 C50 C129 N35 -0.6(11) . . . . ?
C96 C50 C129 N89 -178.7(13) . . . . ?
C97 O9 C156 C18 98.4(10) . . . . ?
C97 O9 C156 C42 -79.1(12) . . . . ?
C98 C87 C107 C97 175.3(10) . . . . ?
C99 C1 C63 C16 -179.1(9) . . . . ?
C99 C1 C63 C24 3.6(14) . . . . ?
C99 C1 C65 C8 178.7(9) . . . . ?
C99 C1 C65 C42 -1.4(14) . . . . ?
C99 C4 C110 C24 3.5(14) . . . . ?
C99 C4 C110 C53 -176.8(10) . . . . ?
C99 C4 C188 C43 -1.6(16) . . . . ?
C99 C18 C76 C43 2.1(15) . . . . ?
C99 C18 C156 O9 177.3(8) . . . . ?
C99 C18 C156 C42 -5.3(15) . . . . ?
C100 C6 C52 C5 176.8(9) . . . . ?
C100 C6 C52 C73 -2.5(14) . . . . ?
C100 C6 C128 C47 1.0(14) . . . . ?
C100 C6 C128 C48 -176.5(9) . . . . ?
C100 C34 C90 C47 1.7(15) . . . . ?
C100 C34 C90 C94 -179.7(10) . . . . ?
C100 C34 C147 C135 -1.2(16) . . . . ?
C100 C54 C74 O12 -179.3(8) . . . . ?
C100 C54 C74 C73 -0.3(15) . . . . ?
C100 C54 C103 C135 2.0(16) . . . . ?
N101 C71 C210 C218 179.6(10) . . . . ?
N101 C71 C9AA N143 3.1(11) . . . . ?
N101 C71 C9AA C235 -179.8(9) . . . . ?
N101 C228 C256 C32 -179.8(10) . . . . ?
N101 C228 C256 C93 -2.6(11) . . . . ?
C102 O77 C150 C138 -169.8(12) . . . . ?
C103 C54 C74 O12 3.1(15) . . . . ?
C103 C54 C74 C73 -178.0(10) . . . . ?
C103 C54 C100 C6 179.1(9) . . . . ?
C103 C54 C100 C34 -1.9(14) . . . . ?
C103 C135 C147 C34 1.0(15) . . . . ?
C103 C135 C152 C176 -169.5(10) . . . . ?
C103 C135 C152 C203 -47.2(15) . . . . ?
C103 C135 C152 C230 70.7(13) . . . . ?
C105 N206 C218 C210 5(2) . . . . ?
C105 N206 C218 C234 -174.5(13) . . . . ?
C106 C28 C55 C2 -2.3(16) . . . . ?
C106 C28 C55 C50 177.0(10) . . . . ?
C106 C45 C70 C2 0.3(15) . . . . ?
C106 C45 C70 C14 -178.4(10) . . . . ?
C107 C87 C98 C130 -176.5(10) . . . . ?
C108 C36 C116 C78 -179.2(10) . . . . ?
C108 C36 C160 C32 -178.9(9) . . . . ?
C108 C36 C160 C41 3.1(15) . . . . ?
C108 O40 C131 C201 171.9(10) . . . . ?
C108 C102 C137 C41 -1.1(15) . . . . ?
C108 C102 C137 C85 178.9(11) . . . . ?
C109 N72 C86 N92 2.1(12) . . . . ?
C109 N72 C86 C169 178.1(8) . . . . ?
C109 N72 C151 C38 -178.1(13) . . . . ?
C109 N72 C151 O51 4(2) . . . . ?
C110 C4 C99 C1 -3.2(14) . . . . ?
C110 C4 C99 C18 -178.8(8) . . . . ?
C110 C4 C188 C43 176.0(10) . . . . ?
C110 C24 C63 C1 -3.4(15) . . . . ?
C110 C24 C63 C16 179.4(10) . . . . ?
C110 C24 C117 N27 179.3(12) . . . . ?
C110 C24 C117 N31 2.4(11) . . . . ?
C116 C36 C108 O40 -1.4(14) . . . . ?
C116 C36 C108 C102 176.9(9) . . . . ?
C116 C36 C160 C32 -0.2(15) . . . . ?
C116 C36 C160 C41 -178.2(9) . . . . ?
C116 C78 C134 C139 177.0(11) . . . . ?
C116 C78 C134 C144 54.6(13) . . . . ?
C116 C78 C134 C181 -64.0(14) . . . . ?
C116 C78 C239 C32 4.5(16) . . . . ?
C117 C24 C63 C1 179.8(10) . . . . ?
C117 C24 C63 C16 2.6(18) . . . . ?
C117 C24 C110 C4 177.2(9) . . . . ?
C117 C24 C110 C53 -2.5(12) . . . . ?
C117 N31 C46 C20 -2.0(10) . . . . ?
C117 N31 C46 C69 179.1(11) . . . . ?
C117 N31 C53 O67 178.3(10) . . . . ?
C117 N31 C53 C110 -0.1(11) . . . . ?
C121 C21 N59 C94 -179.3(11) . . . . ?
C121 C21 N59 C222 0(2) . . . . ?
C121 C21 C154 N26 179.4(10) . . . . ?
C121 C21 C154 C75 2.0(17) . . . . ?
C121 C109 C161 C75 -1.4(16) . . . . ?
C121 C109 C161 N92 178.5(9) . . . . ?
C122 C148 C168 O19 -67.3(12) . . . . ?
C122 C163 C213 C253 179.5(13) . . . . ?
C123 C3 C58 C17 3.1(15) . . . . ?
C123 C3 C58 C60 177.9(9) . . . . ?
C123 C3 C157 C39 -177.3(10) . . . . ?
C123 C3 C157 C81 1.0(15) . . . . ?
C123 C7 C33 O15 -176.8(9) . . . . ?
C123 C7 C33 C17 2.4(16) . . . . ?
C123 C7 C180 C113 0.6(18) . . . . ?
C123 C49 C232 C113 -0.1(17) . . . . ?
C123 C49 C233 C81 2.6(16) . . . . ?
C123 C49 C233 C105 -178.6(10) . . . . ?
C124 N35 C37 O80 -3(2) . . . . ?
C124 N35 C37 C96 179.4(13) . . . . ?
C124 N35 C129 C50 -179.1(8) . . . . ?
C124 N35 C129 N89 -0.6(12) . . . . ?
C124 C57 C62 C20 -0.9(16) . . . . ?
C124 C57 N89 C129 -0.1(12) . . . . ?
O126 C228 C256 C32 3.3(18) . . . . ?
O126 C228 C256 C93 -179.5(11) . . . . ?
C127 C5 C52 C6 0.1(15) . . . . ?
C127 C5 C52 C73 179.3(10) . . . . ?
C127 C48 C128 C6 -0.6(16) . . . . ?
C127 C48 C128 C47 -177.8(10) . . . . ?
C128 C6 C52 C5 -3.2(14) . . . . ?
C128 C6 C52 C73 177.6(9) . . . . ?
C128 C6 C100 C34 1.1(15) . . . . ?
C128 C6 C100 C54 180.0(9) . . . . ?
C128 C47 C90 C34 0.4(17) . . . . ?
C128 C47 C90 C94 -178.4(9) . . . . ?
C128 C47 C222 N59 178.6(9) . . . . ?
C128 C47 C222 O64 -1.6(18) . . . . ?
C128 C48 C127 C5 -2.6(16) . . . . ?
C128 C48 C127 C104 172.8(10) . . . . ?
C129 N35 C37 O80 174.6(10) . . . . ?
C129 N35 C37 C96 -2.7(11) . . . . ?
C129 N35 C124 C57 0.5(11) . . . . ?
C129 N35 C124 C69 177.5(11) . . . . ?
C129 C50 C55 C2 178.6(10) . . . . ?
C129 C50 C55 C28 -0.7(17) . . . . ?
C129 C50 C96 C11 178.7(9) . . . . ?
C129 C50 C96 C37 -1.0(11) . . . . ?
C131 O40 C108 C36 99.9(11) . . . . ?
C131 O40 C108 C102 -78.3(13) . . . . ?
C131 C201 C204 C6AA 67.9(18) . . . . ?
C134 C78 C116 C36 172.7(10) . . . . ?
C134 C78 C239 C32 -172.3(10) . . . . ?
C137 C41 C160 C32 -178.7(9) . . . . ?
C137 C41 C160 C36 -0.8(15) . . . . ?
C137 C41 C198 C93 -178.9(9) . . . . ?
C137 C41 C198 C118 -1.2(15) . . . . ?
C137 C85 C269 C118 -0.8(19) . . . . ?
C137 C85 C269 C257 176.9(11) . . . . ?
C137 C102 C108 C36 3.4(15) . . . . ?
C137 C102 C108 O40 -178.4(9) . . . . ?
C141 C119 C5AA C240 170.4(17) . . . . ?
C141 C138 C150 O77 62.9(19) . . . . ?
C142 O30 C73 C52 -101.4(10) . . . . ?
C142 O30 C73 C74 78.7(12) . . . . ?
C142 C132 C271 C111 -68.0(15) . . . . ?
C145 C159 C217 C2BA -176.9(19) . . . . ?
C147 C34 C90 C47 178.8(10) . . . . ?
C147 C34 C90 C94 -2.6(18) . . . . ?
C147 C34 C100 C6 -179.5(9) . . . . ?
C147 C34 C100 C54 1.6(15) . . . . ?
C147 C135 C152 C176 16.9(15) . . . . ?
C147 C135 C152 C203 139.3(12) . . . . ?
C147 C135 C152 C230 -102.9(12) . . . . ?
C148 C122 C163 C213 -179.5(11) . . . . ?
C149 C263 C267 C347 -178.1(14) . . . . ?
C150 O77 C102 C108 -71.9(14) . . . . ?
C150 O77 C102 C137 110.7(13) . . . . ?
C150 C138 C141 C119 179.8(13) . . . . ?
C151 C38 C169 C68 -178.0(9) . . . . ?
C151 C38 C169 C86 -0.1(12) . . . . ?
C151 C38 C197 C29 176.1(10) . . . . ?
C151 C38 C197 C56 -3.7(18) . . . . ?
C151 N72 C86 N92 -177.7(9) . . . . ?
C151 N72 C86 C169 -1.7(11) . . . . ?
C151 N72 C109 C121 0(2) . . . . ?
C151 N72 C109 C161 178.3(12) . . . . ?
C152 C135 C147 C34 174.8(10) . . . . ?
C154 C21 N59 C94 2.3(10) . . . . ?
C154 C21 N59 C222 -178.4(12) . . . . ?
C154 C21 C121 C109 -3.1(15) . . . . ?
C154 N26 C94 N59 0.6(12) . . . . ?
C154 N26 C94 C90 178.4(13) . . . . ?
C154 C75 C161 N92 -179.8(11) . . . . ?
C154 C75 C161 C109 0.0(15) . . . . ?
C156 O9 C97 C107 -171.3(8) . . . . ?
C156 C18 C76 C43 -178.2(10) . . . . ?
C156 C18 C99 C1 5.4(14) . . . . ?
C156 C18 C99 C4 -178.8(9) . . . . ?
C156 C42 C65 C1 1.7(15) . . . . ?
C156 C42 C65 C8 -178.4(10) . . . . ?
C156 C42 O84 C173 -44.5(15) . . . . ?
C157 C3 C58 C17 -177.7(10) . . . . ?
C157 C3 C58 C60 -2.9(15) . . . . ?
C157 C3 C123 C7 178.5(10) . . . . ?
C157 C3 C123 C49 -0.5(15) . . . . ?
C157 C39 C190 C60 -4.1(17) . . . . ?
C157 C39 C190 C146 174.4(10) . . . . ?
C157 C81 C185 N206 -175.5(11) . . . . ?
C157 C81 C185 N251 2(2) . . . . ?
C157 C81 C233 C49 -2.2(17) . . . . ?
C157 C81 C233 C105 178.8(10) . . . . ?
C158 C104 C127 C5 -126.2(11) . . . . ?
C158 C104 C127 C48 58.5(14) . . . . ?
C159 C145 C191 O66 62.6(19) . . . . ?
C159 C217 C2BA C1BA 165.8(19) . . . . ?
C160 C32 C239 C78 -2.7(16) . . . . ?
C160 C32 C256 C93 4.7(15) . . . . ?
C160 C32 C256 C228 -178.5(10) . . . . ?
C160 C36 C108 O40 177.3(9) . . . . ?
C160 C36 C108 C102 -4.4(15) . . . . ?
C160 C36 C116 C78 2.1(15) . . . . ?
C160 C41 C137 C85 179.7(10) . . . . ?
C160 C41 C137 C102 -0.3(15) . . . . ?
C160 C41 C198 C93 1.7(15) . . . . ?
C160 C41 C198 C118 179.4(10) . . . . ?
C161 C75 C154 C21 -0.3(16) . . . . ?
C161 C75 C154 N26 -177.2(10) . . . . ?
C161 C109 C121 C21 2.8(15) . . . . ?
C162 C104 C127 C5 117.1(11) . . . . ?
C162 C104 C127 C48 -58.2(13) . . . . ?
C163 C122 C148 C168 -174.5(10) . . . . ?
C164 C68 C79 C29 177.6(10) . . . . ?
C164 C68 C79 C82 -2.5(15) . . . . ?
C164 C68 C169 C38 -178.9(10) . . . . ?
C164 C68 C169 C86 3.6(18) . . . . ?
C164 C153 C177 C249 172.8(14) . . . . ?
C164 C153 C177 C297 -77.3(18) . . . . ?
C164 C153 C177 C13 57.9(18) . . . . ?
C164 C153 C212 C82 1.8(16) . . . . ?
O165 C105 N206 C185 -178.2(11) . . . . ?
O165 C105 N206 C218 -1(2) . . . . ?
O165 C105 C233 C49 2(2) . . . . ?
O165 C105 C233 C81 -179.6(11) . . . . ?
C167 C10 C61 O13 -7.4(14) . . . . ?
C167 C10 C61 C14 176.0(10) . . . . ?
C167 C10 C88 C2 -175.9(9) . . . . ?
C167 C10 C88 C11 4.0(14) . . . . ?
C167 C44 C172 C112 3.6(16) . . . . ?
C167 C44 C172 C241 125.7(11) . . . . ?
C167 C44 C172 C262 -116.6(11) . . . . ?
C167 C44 C199 C11 4.4(16) . . . . ?
C168 O19 C25 C83 -102.9(10) . . . . ?
C168 O19 C25 C91 80.2(12) . . . . ?
C169 C38 C151 O51 176.8(11) . . . . ?
C169 C38 C151 N72 -0.9(11) . . . . ?
C169 C38 C197 C29 -6.4(16) . . . . ?
C169 C38 C197 C56 173.8(11) . . . . ?
C169 C68 C79 C29 -1.4(14) . . . . ?
C169 C68 C79 C82 178.5(9) . . . . ?
C169 C68 C164 C153 179.8(10) . . . . ?
C169 C86 N92 C161 -176.0(13) . . . . ?
C171 C120 C205 C56 51.6(15) . . . . ?
C171 C120 C205 C114 -134.5(13) . . . . ?
C172 C44 C167 C10 174.2(10) . . . . ?
C172 C44 C199 C11 -174.1(9) . . . . ?
C173 C166 C200 C170 56.1(17) . . . . ?
C174 O22 C91 C25 50.1(14) . . . . ?
C174 O22 C91 C82 -134.2(10) . . . . ?
C174 C194 C220 C252 -55.5(16) . . . . ?
C175 O13 C61 C10 103.2(11) . . . . ?
C175 O13 C61 C14 -80.2(12) . . . . ?
C177 C153 C164 C68 -176.8(10) . . . . ?
C177 C153 C212 C82 178.1(10) . . . . ?
C178 C115 C292 C183 -66.9(18) . . . . ?
C180 C7 C33 O15 3.6(15) . . . . ?
C180 C7 C33 C17 -177.2(11) . . . . ?
C180 C7 C123 C3 179.2(10) . . . . ?
C180 C7 C123 C49 -1.8(16) . . . . ?
C180 C113 C214 C274 92.7(19) . . . . ?
C180 C113 C214 C290 -150.6(16) . . . . ?
C180 C113 C214 C311 -31(2) . . . . ?
C180 C113 C232 C49 -1.2(18) . . . . ?
C185 C81 C157 C3 178.3(10) . . . . ?
C185 C81 C157 C39 -3.5(18) . . . . ?
C185 C81 C233 C49 179.3(10) . . . . ?
C185 C81 C233 C105 0.4(12) . . . . ?
C185 N206 C218 C210 -177.7(11) . . . . ?
C185 N206 C218 C234 2.5(11) . . . . ?
C188 C4 C99 C1 174.5(9) . . . . ?
C188 C4 C99 C18 -1.1(15) . . . . ?
C188 C4 C110 C24 -174.2(10) . . . . ?
C188 C4 C110 C53 5.5(17) . . . . ?
C188 C43 C76 C18 -4.7(16) . . . . ?
C188 C43 C227 C186 -142.5(11) . . . . ?
C188 C43 C227 C202 97.0(15) . . . . ?
C188 C43 C227 C4BA -28.0(16) . . . . ?
C190 C39 C157 C3 0.1(16) . . . . ?
C190 C39 C157 C81 -178.1(10) . . . . ?
C191 C145 C159 C217 -178.6(14) . . . . ?
C193 C93 C198 C41 175.1(10) . . . . ?
C193 C93 C198 C118 -2.6(18) . . . . ?
C193 C93 C256 C32 -179.3(9) . . . . ?
C193 C93 C256 C228 3.4(12) . . . . ?
C193 N101 C228 O126 177.6(11) . . . . ?
C193 N101 C228 C256 0.6(11) . . . . ?
C193 N143 C9AA C71 -2.8(11) . . . . ?
C193 N143 C9AA C235 -179.7(10) . . . . ?
C194 C220 C252 C196 -170.9(13) . . . . ?
C195 O15 C33 C7 -109.5(12) . . . . ?
C195 O15 C33 C17 71.4(15) . . . . ?
C195 C261 C293 C0AA -171.8(13) . . . . ?
C197 C29 C79 C68 -1.2(15) . . . . ?
C197 C29 C79 C82 178.8(10) . . . . ?
C197 C29 C83 C25 -179.1(9) . . . . ?
C197 C29 C83 C114 -5.3(14) . . . . ?
C197 C38 C151 O51 -5.4(19) . . . . ?
C197 C38 C151 N72 176.9(10) . . . . ?
C197 C38 C169 C68 4.1(17) . . . . ?
C197 C38 C169 C86 -178.0(10) . . . . ?
C197 C56 C205 C114 -4.7(17) . . . . ?
C197 C56 C205 C120 169.5(10) . . . . ?
C198 C41 C137 C85 0.2(15) . . . . ?
C198 C41 C137 C102 -179.7(9) . . . . ?
C198 C41 C160 C32 0.7(15) . . . . ?
C198 C41 C160 C36 178.6(9) . . . . ?
C198 C93 C193 N101 -179.5(11) . . . . ?
C198 C93 C193 N143 -2(2) . . . . ?
C198 C93 C256 C32 -2.4(16) . . . . ?
C198 C93 C256 C228 -179.8(9) . . . . ?
C198 C118 C269 C85 -0.2(18) . . . . ?
C198 C118 C269 C257 -177.8(10) . . . . ?
C199 C11 C88 C2 176.0(9) . . . . ?
C199 C11 C88 C10 -3.9(14) . . . . ?
C199 C11 C96 C37 5.1(16) . . . . ?
C199 C11 C96 C50 -174.6(9) . . . . ?
C199 C44 C167 C10 -4.2(15) . . . . ?
C199 C44 C172 C112 -178.0(11) . . . . ?
C199 C44 C172 C241 -55.9(14) . . . . ?
C199 C44 C172 C262 61.8(13) . . . . ?
C200 C166 C173 O84 54.3(15) . . . . ?
C200 C170 C0BA C219 174.2(19) . . . . ?
C201 C204 C6AA C7AA -174.7(13) . . . . ?
C205 C56 C197 C29 1.7(16) . . . . ?
C205 C56 C197 C38 -178.4(11) . . . . ?
N206 C105 C233 C49 177.7(11) . . . . ?
N206 C105 C233 C81 -3.4(13) . . . . ?
N206 C185 N251 C234 -0.4(12) . . . . ?
N206 C218 C234 C235 178.1(9) . . . . ?
N206 C218 C234 N251 -3.0(11) . . . . ?
C210 C71 N101 C193 -179.0(12) . . . . ?
C210 C71 N101 C228 -3(2) . . . . ?
C210 C71 C9AA N143 -179.6(10) . . . . ?
C210 C71 C9AA C235 -2.5(16) . . . . ?
C210 C218 C234 C235 -1.7(16) . . . . ?
C210 C218 C234 N251 177.2(10) . . . . ?
C211 O12 C74 C54 -104.5(12) . . . . ?
C211 O12 C74 C73 76.5(13) . . . . ?
C212 C82 C91 O22 -1.6(15) . . . . ?
C212 C82 C91 C25 174.2(10) . . . . ?
C212 C153 C164 C68 -0.5(17) . . . . ?
C212 C153 C177 C249 -3.4(18) . . . . ?
C212 C153 C177 C297 106.5(17) . . . . ?
C212 C153 C177 C13 -118.3(16) . . . . ?
C214 C113 C180 C7 -178.0(12) . . . . ?
C214 C113 C232 C49 177.7(12) . . . . ?
C215 C111 C271 C132 -176.6(11) . . . . ?
C218 C234 C235 C9AA 2.5(14) . . . . ?
C218 C234 N251 C185 2.2(11) . . . . ?
C222 C47 C90 C34 -177.4(9) . . . . ?
C222 C47 C90 C94 3.7(12) . . . . ?
C222 C47 C128 C6 175.6(9) . . . . ?
C222 C47 C128 C48 -7.1(17) . . . . ?
C222 N59 C94 N26 178.5(9) . . . . ?
C222 N59 C94 C90 0.1(11) . . . . ?
C224 C183 C292 C115 175.4(13) . . . . ?
C227 C43 C76 C18 171.7(10) . . . . ?
C227 C43 C188 C4 -171.9(10) . . . . ?
C228 N101 C193 C93 1.4(11) . . . . ?
C228 N101 C193 N143 -176.4(8) . . . . ?
C231 C149 C263 C267 -179.1(12) . . . . ?
C232 C49 C123 C3 -179.4(10) . . . . ?
C232 C49 C123 C7 1.6(15) . . . . ?
C232 C49 C233 C81 -179.3(10) . . . . ?
C232 C49 C233 C105 -0.6(18) . . . . ?
C232 C113 C180 C7 1.0(19) . . . . ?
C232 C113 C214 C274 -86.2(19) . . . . ?
C232 C113 C214 C290 31(2) . . . . ?
C232 C113 C214 C311 149.9(19) . . . . ?
C233 C49 C123 C3 -1.3(15) . . . . ?
C233 C49 C123 C7 179.7(10) . . . . ?
C233 C49 C232 C113 -178.1(11) . . . . ?
C233 C81 C157 C3 0.3(16) . . . . ?
C233 C81 C157 C39 178.5(10) . . . . ?
C233 C81 C185 N206 2.8(11) . . . . ?
C233 C81 C185 N251 -179.6(13) . . . . ?
C233 C105 N206 C185 5.5(13) . . . . ?
C233 C105 N206 C218 -177.7(13) . . . . ?
C234 C235 C9AA C71 -0.6(14) . . . . ?
C234 C235 C9AA N143 175.9(9) . . . . ?
C235 C234 N251 C185 -179.0(10) . . . . ?
C238 C209 C244 C187 -176(2) . . . . ?
C239 C32 C160 C36 0.5(15) . . . . ?
C239 C32 C160 C41 178.5(9) . . . . ?
C239 C32 C256 C93 -177.7(11) . . . . ?
C239 C32 C256 C228 -0.9(17) . . . . ?
C239 C78 C116 C36 -4.1(15) . . . . ?
C239 C78 C134 C139 -6.3(15) . . . . ?
C239 C78 C134 C144 -128.7(11) . . . . ?
C239 C78 C134 C181 112.7(12) . . . . ?
C242 C104 C127 C5 -3.6(16) . . . . ?
C242 C104 C127 C48 -178.9(11) . . . . ?
C244 C187 C246 C211 -173.8(14) . . . . ?
C246 C187 C244 C209 -177.8(16) . . . . ?
C248 C146 C190 C39 134.3(12) . . . . ?
C248 C146 C190 C60 -47.3(14) . . . . ?
N251 C185 N206 C105 176.4(10) . . . . ?
N251 C185 N206 C218 -1.4(14) . . . . ?
N251 C234 C235 C9AA -176.2(9) . . . . ?
C256 C32 C160 C36 178.3(9) . . . . ?
C256 C32 C160 C41 -3.8(14) . . . . ?
C256 C32 C239 C78 179.8(10) . . . . ?
C256 C93 C193 N101 -3.1(12) . . . . ?
C256 C93 C193 N143 174.0(12) . . . . ?
C256 C93 C198 C41 -0.9(15) . . . . ?
C256 C93 C198 C118 -178.5(10) . . . . ?
C260 C146 C190 C39 12.0(16) . . . . ?
C260 C146 C190 C60 -169.5(11) . . . . ?
C261 C293 C0AA C1AA -177.8(16) . . . . ?
C263 C149 C231 C175 69.7(15) . . . . ?
C269 C85 C137 C41 0.8(17) . . . . ?
C269 C85 C137 C102 -179.3(11) . . . . ?
C269 C118 C198 C41 1.2(16) . . . . ?
C269 C118 C198 C93 178.8(11) . . . . ?
C271 C111 C215 C237 176.9(14) . . . . ?
C271 C132 C142 O30 -53.9(14) . . . . ?
C275 C146 C190 C39 -106.4(13) . . . . ?
C275 C146 C190 C60 72.1(13) . . . . ?
C292 C115 C178 O23 -52.1(16) . . . . ?
C292 C183 C224 C309 65(2) . . . . ?
C324 C120 C205 C56 177.2(12) . . . . ?
C324 C120 C205 C114 -8.9(17) . . . . ?
C5AA C119 C141 C138 -177.2(13) . . . . ?
C4AA C257 C269 C85 167.7(13) . . . . ?
C4AA C257 C269 C118 -14.8(18) . . . . ?
C2AA C257 C269 C85 46.0(17) . . . . ?
C2AA C257 C269 C118 -136.5(14) . . . . ?
C3AA C257 C269 C85 -75.3(15) . . . . ?
C3AA C257 C269 C118 102.3(14) . . . . ?
C8AA C7AA C6AA C204 -63(2) . . . . ?
C9AA C71 N101 C193 -2.2(11) . . . . ?
C9AA C71 N101 C228 173.5(11) . . . . ?
C9AA C71 C210 C218 3.2(17) . . . . ?
C9AA N143 C193 C93 -175.6(12) . . . . ?
C9AA N143 C193 N101 1.4(11) . . . . ?
C0BA C170 C200 C166 170.1(13) . . . . ?
C3BA C120 C205 C56 -63.1(13) . . . . ?
C3BA C120 C205 C114 110.8(12) . . . . ?
C5BA C196 C252 C220 -167(2) . . . . ?
C6BA C1AA C0AA C293 73(4) . . . . ?
C7BA C1AA C0AA C293 -171(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
