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#
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#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_l03
#TrackingRef 'web_deposit_cif_file_1_IvanHuc_1319808504.cpd2.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C118 H119 Cl N17 O22'
_chemical_formula_weight         2162.75

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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.7650(10)
_cell_length_b                   24.3810(10)
_cell_length_c                   33.0880(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 120.746(2)
_cell_angle_gamma                90.00
_cell_volume                     22716.9(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    7915
_cell_measurement_theta_min      6.51
_cell_measurement_theta_max      72.32


_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9112
_exptl_absorpt_coefficient_mu    0.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9123
_exptl_absorpt_correction_T_max  0.9636
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2005)'
_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'micro-focus rotating anode'
_diffrn_radiation_monochromator  confocal
_diffrn_measurement_device_type  'Rigaku RAXIS Rapid'
_diffrn_measurement_method       ω-scans
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            151689
_diffrn_reflns_av_R_equivalents  0.0873
_diffrn_reflns_av_sigmaI/netI    0.1058
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         6.51
_diffrn_reflns_theta_max         72.32
_reflns_number_total             21411
_reflns_number_gt                7915
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1800P)²+35.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         21411
_refine_ls_number_parameters     1424
_refine_ls_number_restraints     1436
_refine_ls_R_factor_all          0.2452
_refine_ls_R_factor_gt           0.1224
_refine_ls_wR_factor_ref         0.4033
_refine_ls_wR_factor_gt          0.3385
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.061
_refine_ls_shift/su_mean         0.005

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O501 O 0.2344(3) 0.0445(3) 0.5916(2) 0.140(2) Uani 1 1 d U . .
N502 N 0.2536(2) 0.0634(3) 0.5719(3) 0.1030(19) Uani 1 1 d U . .
O503 O 0.2624(2) 0.1129(3) 0.5739(2) 0.1269(19) Uani 1 1 d U . .
C504 C 0.2644(2) 0.0288(3) 0.5437(3) 0.0882(18) Uani 1 1 d U . .
C505 C 0.2613(3) 0.0502(3) 0.5041(3) 0.101(2) Uani 1 1 d U . .
H505 H 0.2547 0.0881 0.4976 0.122 Uiso 1 1 calc R . .
C506 C 0.2677(3) 0.0180(4) 0.4731(3) 0.107(2) Uani 1 1 d U . .
H506 H 0.2663 0.0339 0.4462 0.128 Uiso 1 1 calc R . .
C507 C 0.2758(2) -0.0363(3) 0.4817(2) 0.096(2) Uani 1 1 d U . .
H507 H 0.2775 -0.0591 0.4594 0.115 Uiso 1 1 calc R . .
C508 C 0.2818(2) -0.0595(3) 0.5232(2) 0.0858(18) Uani 1 1 d U . .
C509 C 0.2761(2) -0.0277(3) 0.5555(2) 0.0805(17) Uani 1 1 d U . .
N510 N 0.28585(19) -0.0474(2) 0.59840(19) 0.0809(14) Uani 1 1 d U . .
C511 C 0.2965(2) -0.0993(3) 0.6066(2) 0.0779(16) Uani 1 1 d U . .
C512 C 0.2986(2) -0.1364(3) 0.5762(2) 0.0832(18) Uani 1 1 d U . .
H512 H 0.3037 -0.1743 0.5836 0.100 Uiso 1 1 calc R . .
C513 C 0.2930(3) -0.1163(3) 0.5347(3) 0.0909(19) Uani 1 1 d U . .
O514 O 0.2970(2) -0.1451(2) 0.50216(17) 0.1133(16) Uani 1 1 d U . .
C515 C 0.3099(3) -0.2020(3) 0.5110(3) 0.117(3) Uani 1 1 d U . .
H51A H 0.2873 -0.2219 0.5172 0.141 Uiso 1 1 calc R . .
H51B H 0.3422 -0.2058 0.5389 0.141 Uiso 1 1 calc R . .
C516 C 0.3085(4) -0.2256(5) 0.4675(3) 0.155(4) Uani 1 1 d U . .
H516 H 0.3338 -0.2074 0.4638 0.186 Uiso 1 1 calc R . .
C517 C 0.3186(5) -0.2817(5) 0.4748(4) 0.190(5) Uani 1 1 d U . .
H51C H 0.3503 -0.2870 0.5025 0.285 Uiso 1 1 calc R . .
H51D H 0.3177 -0.2977 0.4472 0.285 Uiso 1 1 calc R . .
H51E H 0.2950 -0.2999 0.4800 0.285 Uiso 1 1 calc R . .
C518 C 0.2614(5) -0.2143(6) 0.4246(4) 0.217(6) Uani 1 1 d U . .
H51F H 0.2571 -0.1746 0.4195 0.326 Uiso 1 1 calc R . .
H51G H 0.2361 -0.2292 0.4289 0.326 Uiso 1 1 calc R . .
H51H H 0.2601 -0.2317 0.3972 0.326 Uiso 1 1 calc R . .
C519 C 0.3084(2) -0.1190(3) 0.6543(3) 0.0803(17) Uani 1 1 d U . .
O520 O 0.3082(2) -0.16823(19) 0.66290(18) 0.1083(16) Uani 1 1 d U . .
N521 N 0.31912(19) -0.0787(2) 0.6859(2) 0.0821(14) Uani 1 1 d U . .
H521 H 0.3169 -0.0453 0.6748 0.098 Uiso 1 1 calc R . .
C522 C 0.3332(2) -0.0814(3) 0.7333(2) 0.0761(16) Uani 1 1 d U . .
C523 C 0.3343(3) -0.1280(3) 0.7564(3) 0.092(2) Uani 1 1 d U . .
H523 H 0.3265 -0.1622 0.7404 0.110 Uiso 1 1 calc R . .
C524 C 0.3473(3) -0.1257(3) 0.8045(3) 0.112(2) Uani 1 1 d U . .
H524 H 0.3474 -0.1582 0.8204 0.134 Uiso 1 1 calc R . .
C525 C 0.3596(3) -0.0767(3) 0.8277(3) 0.103(2) Uani 1 1 d U . .
H525 H 0.3682 -0.0756 0.8598 0.124 Uiso 1 1 calc R . .
C526 C 0.3600(2) -0.0271(3) 0.8051(2) 0.0840(18) Uani 1 1 d U . .
C527 C 0.3473(2) -0.0297(3) 0.7578(2) 0.0740(15) Uani 1 1 d U . .
N528 N 0.34706(17) 0.0148(2) 0.73297(17) 0.0688(12) Uani 1 1 d U . .
C529 C 0.3581(2) 0.0629(3) 0.7551(2) 0.0724(15) Uani 1 1 d U . .
C530 C 0.3700(2) 0.0694(3) 0.8019(2) 0.0854(18) Uani 1 1 d U . .
H530 H 0.3767 0.1048 0.8159 0.102 Uiso 1 1 calc R . .
C531 C 0.3717(3) 0.0248(3) 0.8269(3) 0.0892(19) Uani 1 1 d U . .
O532 O 0.3833(2) 0.0261(2) 0.87264(17) 0.1136(16) Uani 1 1 d U . .
C533 C 0.3983(4) 0.0779(4) 0.8981(3) 0.158(4) Uani 1 1 d U . .
H53A H 0.3707 0.1024 0.8881 0.190 Uiso 1 1 calc R . .
H53B H 0.4216 0.0966 0.8921 0.190 Uiso 1 1 calc R . .
C534 C 0.4217(7) 0.0632(6) 0.9518(4) 0.245(7) Uani 1 1 d U . .
H534 H 0.4473 0.0351 0.9677 0.294 Uiso 1 1 calc R . .
C535 C 0.3779(8) 0.0616(10) 0.9523(6) 0.314(9) Uani 1 1 d U . .
H53C H 0.3846 0.0508 0.9837 0.472 Uiso 1 1 calc R . .
H53D H 0.3562 0.0350 0.9291 0.472 Uiso 1 1 calc R . .
H53E H 0.3631 0.0980 0.9447 0.472 Uiso 1 1 calc R . .
C536 C 0.4250(10) 0.1229(8) 0.9730(6) 0.376(12) Uani 1 1 d U . .
H53F H 0.4555 0.1398 0.9812 0.564 Uiso 1 1 calc R . .
H53G H 0.4227 0.1200 1.0013 0.564 Uiso 1 1 calc R . .
H53H H 0.3990 0.1457 0.9496 0.564 Uiso 1 1 calc R . .
C537 C 0.3610(2) 0.1109(3) 0.7283(2) 0.0763(17) Uani 1 1 d U . .
O538 O 0.36281(19) 0.15835(19) 0.74136(16) 0.0995(15) Uani 1 1 d U . .
N539 N 0.36184(18) 0.09559(19) 0.68993(18) 0.0766(14) Uani 1 1 d U . .
H539 H 0.3597 0.0600 0.6850 0.092 Uiso 1 1 calc R . .
C540 C 0.3656(2) 0.1264(2) 0.6563(2) 0.0712(15) Uani 1 1 d U . .
C541 C 0.3593(2) 0.1820(2) 0.6506(2) 0.0787(17) Uani 1 1 d U . .
H541 H 0.3527 0.2030 0.6708 0.094 Uiso 1 1 calc R . .
C542 C 0.3629(3) 0.2072(3) 0.6149(2) 0.089(2) Uani 1 1 d U . .
H542 H 0.3596 0.2460 0.6118 0.107 Uiso 1 1 calc R . .
C543 C 0.3707(2) 0.1792(3) 0.5841(2) 0.0863(19) Uani 1 1 d U . .
H543 H 0.3717 0.1981 0.5595 0.104 Uiso 1 1 calc R . .
C544 C 0.3773(2) 0.1224(3) 0.5888(2) 0.0740(16) Uani 1 1 d U . .
C545 C 0.3758(2) 0.0950(2) 0.6260(2) 0.0675(15) Uani 1 1 d U . .
N546 N 0.38492(17) 0.04124(19) 0.63551(16) 0.0680(12) Uani 1 1 d U . .
C547 C 0.3937(2) 0.0121(3) 0.6068(2) 0.0707(15) Uani 1 1 d U . .
C548 C 0.3939(2) 0.0340(3) 0.5680(2) 0.0790(17) Uani 1 1 d U . .
H548 H 0.3999 0.0113 0.5483 0.095 Uiso 1 1 calc R . .
C549 C 0.3852(2) 0.0892(3) 0.5589(2) 0.0788(17) Uani 1 1 d U . .
O550 O 0.38294(18) 0.11493(19) 0.52163(16) 0.1015(15) Uani 1 1 d U . .
C551 C 0.3900(4) 0.0814(4) 0.4892(3) 0.127(3) Uani 1 1 d U . .
H55A H 0.3689 0.0489 0.4794 0.153 Uiso 1 1 calc R . .
H55B H 0.4233 0.0685 0.5047 0.153 Uiso 1 1 calc R . .
C552 C 0.3786(4) 0.1157(5) 0.4476(3) 0.147(3) Uani 1 1 d U . .
H552 H 0.3863 0.0928 0.4272 0.176 Uiso 1 1 calc R . .
C553 C 0.3276(4) 0.1287(4) 0.4189(3) 0.164(4) Uani 1 1 d U . .
H55C H 0.3216 0.1501 0.3914 0.247 Uiso 1 1 calc R . .
H55D H 0.3180 0.1501 0.4378 0.247 Uiso 1 1 calc R . .
H55E H 0.3093 0.0946 0.4086 0.247 Uiso 1 1 calc R . .
C554 C 0.4095(5) 0.1653(6) 0.4606(5) 0.215(6) Uani 1 1 d U . .
H55F H 0.4006 0.1870 0.4323 0.323 Uiso 1 1 calc R . .
H55G H 0.4428 0.1539 0.4750 0.323 Uiso 1 1 calc R . .
H55H H 0.4055 0.1875 0.4830 0.323 Uiso 1 1 calc R . .
C555 C 0.4056(2) -0.0475(3) 0.6185(2) 0.0702(15) Uani 1 1 d U . .
O556 O 0.40425(16) -0.07992(18) 0.58995(16) 0.0903(13) Uani 1 1 d U . .
N557 N 0.41562(17) -0.05964(19) 0.66216(18) 0.0722(13) Uani 1 1 d U . .
H557 H 0.4162 -0.0311 0.6788 0.087 Uiso 1 1 calc R . .
C558 C 0.4254(2) -0.1100(3) 0.6860(2) 0.0755(16) Uani 1 1 d U . .
C559 C 0.4190(2) -0.1599(3) 0.6641(3) 0.0830(18) Uani 1 1 d U . .
H559 H 0.4092 -0.1614 0.6317 0.100 Uiso 1 1 calc R . .
C560 C 0.4271(3) -0.2089(3) 0.6900(3) 0.097(2) Uani 1 1 d U . .
H560 H 0.4224 -0.2434 0.6748 0.117 Uiso 1 1 calc R . .
C561 C 0.4417(3) -0.2068(3) 0.7370(3) 0.0916(19) Uani 1 1 d U . .
H561 H 0.4470 -0.2399 0.7542 0.110 Uiso 1 1 calc R . .
C562 C 0.4489(2) -0.1566(3) 0.7598(3) 0.0793(16) Uani 1 1 d U . .
C563 C 0.4411(2) -0.1067(3) 0.7342(2) 0.0733(15) Uani 1 1 d U . .
N564 N 0.44866(18) -0.0559(2) 0.75376(19) 0.0734(13) Uani 1 1 d U . .
C565 C 0.4641(2) -0.0534(3) 0.7996(2) 0.0746(16) Uani 1 1 d U . .
C566 C 0.4718(2) -0.0998(3) 0.8266(3) 0.0865(18) Uani 1 1 d U . .
H566 H 0.4819 -0.0958 0.8589 0.104 Uiso 1 1 calc R . .
C567 C 0.4655(2) -0.1510(3) 0.8083(3) 0.0853(18) Uani 1 1 d U . .
O568 O 0.47309(18) -0.19825(19) 0.83208(18) 0.1067(15) Uani 1 1 d U . .
C569 C 0.4928(3) -0.1950(3) 0.8827(3) 0.125(3) Uani 1 1 d U . .
H56A H 0.4682 -0.1837 0.8900 0.150 Uiso 1 1 calc R . .
H56B H 0.5194 -0.1685 0.8973 0.150 Uiso 1 1 calc R . .
C570 C 0.5112(5) -0.2570(4) 0.9013(3) 0.207(6) Uani 1 1 d U . .
H570 H 0.5368 -0.2720 0.8964 0.249 Uiso 1 1 calc R . .
C571 C 0.4656(5) -0.2902(5) 0.8816(5) 0.215(5) Uani 1 1 d U . .
H57A H 0.4734 -0.3290 0.8897 0.323 Uiso 1 1 calc R . .
H57B H 0.4471 -0.2862 0.8473 0.323 Uiso 1 1 calc R . .
H57C H 0.4469 -0.2768 0.8951 0.323 Uiso 1 1 calc R . .
C572 C 0.5228(6) -0.2510(5) 0.9535(4) 0.243(7) Uani 1 1 d U . .
H57D H 0.5525 -0.2304 0.9718 0.365 Uiso 1 1 calc R . .
H57E H 0.5264 -0.2875 0.9673 0.365 Uiso 1 1 calc R . .
H57F H 0.4969 -0.2313 0.9538 0.365 Uiso 1 1 calc R . .
C573 C 0.4754(2) 0.0020(3) 0.8227(3) 0.0814(17) Uani 1 1 d U . .
O574 O 0.48539(18) 0.00803(19) 0.86304(18) 0.1013(15) Uani 1 1 d U . .
N575 N 0.47435(19) 0.0431(2) 0.79514(19) 0.0861(15) Uani 1 1 d U . .
H575 H 0.4650 0.0363 0.7655 0.103 Uiso 1 1 calc R . .
C576 C 0.4885(3) 0.0991(3) 0.8133(3) 0.108(2) Uani 1 1 d U . .
H57G H 0.4647 0.1143 0.8202 0.129 Uiso 1 1 calc R . .
H57H H 0.5193 0.0976 0.8432 0.129 Uiso 1 1 calc R . .
C577 C 0.4927(4) 0.1347(3) 0.7819(3) 0.130(3) Uani 1 1 d U . .
H57I H 0.4633 0.1568 0.7655 0.156 Uiso 1 1 calc R . .
H57J H 0.5191 0.1603 0.8009 0.156 Uiso 1 1 calc R . .
O578 O 0.5000 0.1132(3) 0.7500 0.166(4) Uani 1 2 d SU . .
O701 O 0.2683(4) 0.9700(3) 0.3810(3) 0.228(5) Uani 1 1 d U . .
N702 N 0.2511(2) 0.9506(3) 0.3420(3) 0.105(2) Uani 1 1 d U . .
O703 O 0.2484(3) 0.9019(3) 0.3361(2) 0.155(2) Uani 1 1 d U . .
C704 C 0.2401(2) 0.9876(3) 0.3045(2) 0.0784(16) Uani 1 1 d U . .
C705 C 0.2464(2) 0.9697(3) 0.2692(3) 0.0922(19) Uani 1 1 d U . .
H705 H 0.2545 0.9324 0.2688 0.111 Uiso 1 1 calc R . .
C706 C 0.2411(2) 1.0052(3) 0.2330(3) 0.094(2) Uani 1 1 d U . .
H706 H 0.2446 0.9918 0.2080 0.112 Uiso 1 1 calc R . .
C707 C 0.2308(2) 1.0587(3) 0.2346(3) 0.0922(19) Uani 1 1 d U . .
H707 H 0.2291 1.0836 0.2117 0.111 Uiso 1 1 calc R . .
C708 C 0.2227(2) 1.0778(3) 0.2709(2) 0.0855(17) Uani 1 1 d U . .
C709 C 0.2258(2) 1.0415(3) 0.3056(2) 0.0742(16) Uani 1 1 d U . .
N710 N 0.21236(19) 1.0565(2) 0.33616(18) 0.0790(14) Uani 1 1 d U . .
C711 C 0.2003(2) 1.1091(3) 0.3358(2) 0.0797(16) Uani 1 1 d U . .
C712 C 0.2018(2) 1.1491(3) 0.3068(2) 0.0878(18) Uani 1 1 d U . .
H712 H 0.1953 1.1863 0.3099 0.105 Uiso 1 1 calc R . .
C713 C 0.2125(2) 1.1344(3) 0.2741(3) 0.0862(18) Uani 1 1 d U . .
O714 O 0.2120(2) 1.1669(2) 0.2411(2) 0.1190(17) Uani 1 1 d U . .
C715 C 0.2045(4) 1.2238(4) 0.2428(4) 0.148(3) Uani 1 1 d U . .
H71A H 0.2244 1.2377 0.2753 0.177 Uiso 1 1 calc R . .
H71B H 0.1707 1.2311 0.2323 0.177 Uiso 1 1 calc R . .
C716 C 0.2183(7) 1.2528(5) 0.2094(6) 0.232(6) Uani 1 1 d U . .
H716 H 0.2489 1.2411 0.2121 0.279 Uiso 1 1 calc R . .
C717 C 0.2111(7) 1.3104(5) 0.2101(6) 0.268(8) Uani 1 1 d U . .
H71C H 0.2365 1.3259 0.2397 0.401 Uiso 1 1 calc R . .
H71D H 0.1803 1.3170 0.2075 0.401 Uiso 1 1 calc R . .
H71E H 0.2115 1.3278 0.1836 0.401 Uiso 1 1 calc R . .
C718 C 0.1771(12) 1.2425(9) 0.1668(7) 0.439(19) Uani 1 1 d U . .
H71F H 0.1761 1.2037 0.1586 0.659 Uiso 1 1 calc R . .
H71G H 0.1767 1.2652 0.1422 0.659 Uiso 1 1 calc R . .
H71H H 0.1494 1.2513 0.1695 0.659 Uiso 1 1 calc R . .
C719 C 0.1826(2) 1.1237(3) 0.3686(2) 0.0776(16) Uani 1 1 d U . .
O720 O 0.18138(19) 1.1711(2) 0.37907(18) 0.1060(15) Uani 1 1 d U . .
N721 N 0.16863(18) 1.0795(2) 0.38273(17) 0.0782(14) Uani 1 1 d U . .
C722 C 0.1526(2) 1.0782(3) 0.4150(2) 0.0793(16) Uani 1 1 d U . .
C723 C 0.1476(2) 1.1227(3) 0.4371(2) 0.0881(19) Uani 1 1 d U . .
H723 H 0.1531 1.1586 0.4296 0.106 Uiso 1 1 calc R . .
C724 C 0.1344(3) 1.1150(4) 0.4707(3) 0.104(2) Uani 1 1 d U . .
H724 H 0.1302 1.1462 0.4855 0.125 Uiso 1 1 calc R . .
C725 C 0.1272(3) 1.0642(4) 0.4828(3) 0.103(2) Uani 1 1 d U . .
H725 H 0.1193 1.0600 0.5066 0.124 Uiso 1 1 calc R . .
C726 C 0.1316(2) 1.0188(3) 0.4604(2) 0.0869(18) Uani 1 1 d U . .
C727 C 0.1433(2) 1.0245(3) 0.4250(2) 0.0737(15) Uani 1 1 d U . .
N728 N 0.14660(17) 0.9823(2) 0.40026(16) 0.0721(13) Uani 1 1 d U . .
C729 C 0.1392(3) 0.9318(3) 0.4112(2) 0.0837(18) Uani 1 1 d U . .
C730 C 0.1295(3) 0.9206(3) 0.4472(2) 0.096(2) Uani 1 1 d U . .
H730 H 0.1257 0.8839 0.4545 0.115 Uiso 1 1 calc R . .
C731 C 0.1257(3) 0.9644(3) 0.4716(2) 0.096(2) Uani 1 1 d U . .
O732 O 0.1169(2) 0.9597(2) 0.50649(18) 0.1242(18) Uani 1 1 d U . .
C733 C 0.1153(4) 0.9071(4) 0.5243(3) 0.144(3) Uani 1 1 d U . .
H73A H 0.1426 0.8845 0.5292 0.172 Uiso 1 1 calc R . .
H73B H 0.0856 0.8878 0.5018 0.172 Uiso 1 1 calc R . .
C734 C 0.1173(5) 0.9166(5) 0.5707(4) 0.162(4) Uani 1 1 d U . .
H734 H 0.0904 0.9413 0.5646 0.195 Uiso 1 1 calc R . .
C735 C 0.1076(7) 0.8591(7) 0.5838(5) 0.299(9) Uani 1 1 d U . .
H73C H 0.0765 0.8461 0.5589 0.448 Uiso 1 1 calc R . .
H73D H 0.1080 0.8613 0.6135 0.448 Uiso 1 1 calc R . .
H73E H 0.1323 0.8335 0.5872 0.448 Uiso 1 1 calc R . .
C736 C 0.1611(5) 0.9426(6) 0.6052(4) 0.201(5) Uani 1 1 d U . .
H73F H 0.1641 0.9782 0.5933 0.302 Uiso 1 1 calc R . .
H73G H 0.1880 0.9193 0.6115 0.302 Uiso 1 1 calc R . .
H73H H 0.1608 0.9480 0.6344 0.302 Uiso 1 1 calc R . .
C737 C 0.1405(3) 0.8853(3) 0.3825(2) 0.0841(18) Uani 1 1 d U . .
O738 O 0.1392(2) 0.8380(2) 0.39295(18) 0.1206(19) Uani 1 1 d U . .
N739 N 0.14017(18) 0.9021(2) 0.34318(17) 0.0754(14) Uani 1 1 d U . .
C740 C 0.1409(2) 0.8701(2) 0.3088(2) 0.0703(15) Uani 1 1 d U . .
C741 C 0.1508(2) 0.8140(3) 0.3126(2) 0.0845(19) Uani 1 1 d U . .
H741 H 0.1554 0.7944 0.3395 0.101 Uiso 1 1 calc R . .
C742 C 0.1537(3) 0.7869(3) 0.2777(3) 0.099(2) Uani 1 1 d U . .
H742 H 0.1598 0.7486 0.2809 0.119 Uiso 1 1 calc R . .
C743 C 0.1484(3) 0.8128(3) 0.2390(3) 0.100(2) Uani 1 1 d U . .
H743 H 0.1509 0.7929 0.2157 0.120 Uiso 1 1 calc R . .
C744 C 0.1390(2) 0.8693(3) 0.2339(2) 0.0785(17) Uani 1 1 d U . .
C745 C 0.1327(2) 0.8981(2) 0.2675(2) 0.0678(15) Uani 1 1 d U . .
N746 N 0.12174(16) 0.95320(19) 0.26441(16) 0.0652(12) Uani 1 1 d U . .
C747 C 0.1160(2) 0.9787(3) 0.2268(2) 0.0700(15) Uani 1 1 d U . .
C748 C 0.1218(2) 0.9554(3) 0.1917(2) 0.0842(18) Uani 1 1 d U . .
H748 H 0.1173 0.9766 0.1655 0.101 Uiso 1 1 calc R . .
C749 C 0.1345(3) 0.9005(3) 0.1959(2) 0.0882(19) Uani 1 1 d U . .
O750 O 0.1438(2) 0.87240(19) 0.16655(17) 0.1132(17) Uani 1 1 d U . .
C751 C 0.1478(3) 0.9009(3) 0.1308(3) 0.117(3) Uani 1 1 d U . .
H75A H 0.1689 0.9332 0.1444 0.140 Uiso 1 1 calc R . .
H75B H 0.1161 0.9139 0.1058 0.140 Uiso 1 1 calc R . .
C752 C 0.1684(4) 0.8609(4) 0.1102(3) 0.131(3) Uani 1 1 d U . .
H752 H 0.1714 0.8820 0.0859 0.157 Uiso 1 1 calc R . .
C753 C 0.1314(5) 0.8147(5) 0.0832(4) 0.201(5) Uani 1 1 d U . .
H75C H 0.1444 0.7890 0.0699 0.302 Uiso 1 1 calc R . .
H75D H 0.1021 0.8310 0.0579 0.302 Uiso 1 1 calc R . .
H75E H 0.1246 0.7952 0.1050 0.302 Uiso 1 1 calc R . .
C754 C 0.2213(4) 0.8466(6) 0.1510(4) 0.216(6) Uani 1 1 d U . .
H75F H 0.2357 0.8213 0.1388 0.325 Uiso 1 1 calc R . .
H75G H 0.2204 0.8293 0.1773 0.325 Uiso 1 1 calc R . .
H75H H 0.2401 0.8804 0.1618 0.325 Uiso 1 1 calc R . .
C755 C 0.1025(2) 1.0390(3) 0.2228(2) 0.0770(16) Uani 1 1 d U . .
O756 O 0.10542(16) 1.06996(18) 0.19638(16) 0.0920(14) Uani 1 1 d U . .
N757 N 0.08668(18) 1.0504(2) 0.25314(18) 0.0779(14) Uani 1 1 d U . .
C758 C 0.0757(2) 1.1026(3) 0.2642(2) 0.0753(16) Uani 1 1 d U . .
C759 C 0.0821(2) 1.1528(3) 0.2496(2) 0.0816(17) Uani 1 1 d U . .
H759 H 0.0926 1.1546 0.2276 0.098 Uiso 1 1 calc R . .
C760 C 0.0735(3) 1.2007(3) 0.2662(3) 0.093(2) Uani 1 1 d U . .
H760 H 0.0798 1.2350 0.2567 0.112 Uiso 1 1 calc R . .
C761 C 0.0564(2) 1.2001(3) 0.2961(3) 0.0915(19) Uani 1 1 d U . .
H761 H 0.0500 1.2335 0.3065 0.110 Uiso 1 1 calc R . .
C762 C 0.0480(2) 1.1489(3) 0.3115(2) 0.0802(16) Uani 1 1 d U . .
C763 C 0.0568(2) 1.0995(3) 0.2952(2) 0.0726(15) Uani 1 1 d U . .
N764 N 0.04898(17) 1.0488(2) 0.30643(18) 0.0767(14) Uani 1 1 d U . .
C765 C 0.0315(2) 1.0470(3) 0.3351(2) 0.0802(17) Uani 1 1 d U . .
C766 C 0.0220(2) 1.0921(3) 0.3538(2) 0.0861(18) Uani 1 1 d U . .
H766 H 0.0097 1.0878 0.3741 0.103 Uiso 1 1 calc R . .
C767 C 0.0304(2) 1.1425(3) 0.3432(3) 0.0885(18) Uani 1 1 d U . .
O768 O 0.02375(19) 1.19050(19) 0.35942(19) 0.1103(16) Uani 1 1 d U . .
C769 C 0.0042(4) 1.1867(3) 0.3904(3) 0.126(3) Uani 1 1 d U . .
H76A H 0.0242 1.1626 0.4176 0.152 Uiso 1 1 calc R . .
H76B H -0.0284 1.1715 0.3732 0.152 Uiso 1 1 calc R . .
C770 C 0.0037(7) 1.2466(5) 0.4076(6) 0.220(6) Uani 1 1 d U . .
H770 H 0.0368 1.2612 0.4233 0.264 Uiso 1 1 calc R . .
C771 C -0.0230(10) 1.2788(6) 0.3731(8) 0.379(14) Uani 1 1 d U . .
H77A H -0.0121 1.2791 0.3505 0.568 Uiso 1 1 calc R . .
H77B H -0.0213 1.3160 0.3851 0.568 Uiso 1 1 calc R . .
H77C H -0.0559 1.2657 0.3576 0.568 Uiso 1 1 calc R . .
C772 C -0.0110(7) 1.2433(5) 0.4439(6) 0.252(7) Uani 1 1 d U . .
H77D H 0.0082 1.2154 0.4674 0.378 Uiso 1 1 calc R . .
H77E H -0.0446 1.2332 0.4286 0.378 Uiso 1 1 calc R . .
H77F H -0.0061 1.2789 0.4594 0.378 Uiso 1 1 calc R . .
C773 C 0.0191(2) 0.9908(3) 0.3453(3) 0.0861(18) Uani 1 1 d U . .
O774 O 0.0059(2) 0.9848(2) 0.3733(2) 0.1153(17) Uani 1 1 d U . .
C775 C 0.0229(2) 0.9494(2) 0.3200(2) 0.0807(18) Uani 1 1 d U . .
C776 C 0.0106(4) 0.8938(3) 0.3245(3) 0.123(3) Uani 1 1 d U . .
H77G H 0.0359 0.8783 0.3547 0.148 Uiso 1 1 calc R . .
H77H H -0.0193 0.8938 0.3249 0.148 Uiso 1 1 calc R . .
C777 C 0.0052(5) 0.8609(4) 0.2875(3) 0.159(4) Uani 1 1 d U . .
H77I H 0.0333 0.8365 0.3011 0.191 Uiso 1 1 calc R . .
H77J H -0.0224 0.8370 0.2790 0.191 Uiso 1 1 calc R . .
O778 O 0.0000 0.8776(4) 0.2500 0.181(4) Uani 1 2 d SU . .
Cl91 Cl 0.20204(10) 0.24167(12) 0.52516(9) 0.1518(10) Uani 1 1 d U . .
C901 C 0.2455(5) 0.2585(8) 0.5132(4) 0.228(7) Uani 1 1 d U . .
H901 H 0.2658 0.2873 0.5322 0.274 Uiso 1 1 calc R . .
O92 O -0.0233(2) 0.9161(3) 0.4879(3) 0.196(3) Uani 1 1 d . . .


_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
O501 N502 1.201(8) . ?
N502 O503 1.235(8) . ?
N502 C504 1.432(9) . ?
C504 C505 1.364(9) . ?
C504 C509 1.430(9) . ?
C505 C506 1.389(10) . ?
C506 C507 1.352(10) . ?
C507 C508 1.400(9) . ?
C508 C509 1.407(9) . ?
C508 C513 1.434(9) . ?
C509 N510 1.374(8) . ?
N510 C511 1.303(7) . ?
C511 C512 1.379(8) . ?
C511 C519 1.499(9) . ?
C512 C513 1.380(9) . ?
C513 O514 1.347(8) . ?
O514 C515 1.435(9) . ?
C515 C516 1.532(11) . ?
C516 C517 1.399(13) . ?
C516 C518 1.495(14) . ?
C519 O520 1.233(7) . ?
C519 N521 1.345(8) . ?
N521 C522 1.392(8) . ?
C522 C523 1.361(8) . ?
C522 C527 1.441(9) . ?
C523 C524 1.422(10) . ?
C524 C525 1.366(10) . ?
C525 C526 1.425(9) . ?
C526 C527 1.402(8) . ?
C526 C531 1.409(9) . ?
C527 N528 1.357(7) . ?
N528 C529 1.332(7) . ?
C529 C530 1.399(8) . ?
C529 C537 1.500(9) . ?
C530 C531 1.350(9) . ?
C531 O532 1.358(7) . ?
O532 C533 1.455(10) . ?
C533 C534 1.574(15) . ?
C534 C535 1.45(2) . ?
C534 C536 1.60(2) . ?
C535 C536 2.00(3) . ?
C537 O538 1.226(7) . ?
C537 N539 1.337(7) . ?
N539 C540 1.401(7) . ?
C540 C541 1.370(8) . ?
C540 C545 1.429(8) . ?
C541 C542 1.389(8) . ?
C542 C543 1.354(8) . ?
C543 C544 1.398(8) . ?
C544 C549 1.400(8) . ?
C544 C545 1.425(8) . ?
C545 N546 1.346(7) . ?
N546 C547 1.330(7) . ?
C547 C548 1.393(8) . ?
C547 C555 1.504(8) . ?
C548 C549 1.377(8) . ?
C549 O550 1.351(7) . ?
O550 C551 1.456(8) . ?
C551 C552 1.489(11) . ?
C552 C554 1.492(15) . ?
C552 C553 1.474(13) . ?
C555 O556 1.215(7) . ?
C555 N557 1.340(7) . ?
N557 C558 1.406(7) . ?
C558 C559 1.375(8) . ?
C558 C563 1.406(8) . ?
C559 C560 1.414(9) . ?
C560 C561 1.376(9) . ?
C561 C562 1.393(9) . ?
C562 C563 1.428(8) . ?
C562 C567 1.415(9) . ?
C563 N564 1.360(7) . ?
N564 C565 1.333(7) . ?
C565 C566 1.383(8) . ?
C565 C573 1.500(9) . ?
C566 C567 1.355(9) . ?
C567 O568 1.344(7) . ?
O568 C569 1.458(8) . ?
C569 C570 1.628(13) . ?
C570 C571 1.523(16) . ?
C570 C572 1.573(15) . ?
C573 O574 1.209(7) . ?
C573 N575 1.344(8) . ?
N575 C576 1.468(8) . ?
C576 C577 1.414(10) . ?
C577 O578 1.305(8) . ?
O578 C577 1.305(8) 2_656 ?
O701 N702 1.208(9) . ?
N702 O703 1.199(8) . ?
N702 C704 1.423(9) . ?
C704 C705 1.357(9) . ?
C704 C709 1.403(9) . ?
C705 C706 1.416(9) . ?
C706 C707 1.355(9) . ?
C707 C708 1.434(9) . ?
C708 C709 1.413(9) . ?
C708 C713 1.436(9) . ?
C709 N710 1.341(7) . ?
N710 C711 1.341(8) . ?
C711 C712 1.387(9) . ?
C711 C719 1.513(9) . ?
C712 C713 1.347(9) . ?
C713 O714 1.340(8) . ?
O714 C715 1.416(9) . ?
C715 C716 1.562(14) . ?
C716 C718 1.39(2) . ?
C716 C717 1.425(15) . ?
C719 O720 1.213(7) . ?
C719 N721 1.344(8) . ?
N721 C722 1.411(8) . ?
C722 C723 1.364(8) . ?
C722 C727 1.421(9) . ?
C723 C724 1.400(9) . ?
C724 C725 1.359(10) . ?
C725 C726 1.380(9) . ?
C726 C731 1.416(9) . ?
C726 C727 1.414(9) . ?
C727 N728 1.353(7) . ?
N728 C729 1.340(7) . ?
C729 C730 1.407(8) . ?
C729 C737 1.496(9) . ?
C730 C731 1.382(9) . ?
C731 O732 1.331(7) . ?
O732 C733 1.423(9) . ?
C733 C734 1.521(11) . ?
C734 C736 1.445(15) . ?
C734 C735 1.548(15) . ?
C737 O738 1.211(7) . ?
C737 N739 1.358(8) . ?
N739 C740 1.391(7) . ?
C740 C741 1.397(8) . ?
C740 C745 1.424(8) . ?
C741 C742 1.375(8) . ?
C742 C743 1.359(9) . ?
C743 C744 1.401(8) . ?
C744 C749 1.410(8) . ?
C744 C745 1.417(8) . ?
C745 N746 1.382(7) . ?
N746 C747 1.314(7) . ?
C747 C748 1.394(8) . ?
C747 C755 1.522(9) . ?
C748 C749 1.388(9) . ?
C749 O750 1.345(7) . ?
O750 C751 1.435(8) . ?
C751 C752 1.530(11) . ?
C752 C753 1.557(13) . ?
C752 C754 1.599(14) . ?
C755 O756 1.195(7) . ?
C755 N757 1.373(8) . ?
N757 C758 1.421(7) . ?
C758 C759 1.373(8) . ?
C758 C763 1.445(9) . ?
C759 C760 1.380(9) . ?
C760 C761 1.364(9) . ?
C761 C762 1.427(9) . ?
C762 C763 1.408(8) . ?
C762 C767 1.438(9) . ?
C763 N764 1.352(7) . ?
N764 C765 1.338(8) . ?
C765 C766 1.371(9) . ?
C765 C773 1.515(9) . ?
C766 C767 1.345(9) . ?
C767 O768 1.352(8) . ?
O768 C769 1.464(9) . ?
C769 C770 1.571(13) . ?
C770 C771 1.29(2) . ?
C770 C772 1.507(15) . ?
C773 O774 1.216(8) . ?
C773 C775 1.359(9) . ?
C775 C776 1.445(9) . ?
C776 C777 1.397(11) . ?
C777 O778 1.232(10) . ?
O778 C777 1.232(10) 2 ?
Cl91 C901 1.711(12) . ?
C901 C901 1.13(2) 7_556 ?

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
O501 N502 O503 121.2(8) . . ?
O501 N502 C504 120.0(8) . . ?
O503 N502 C504 118.7(8) . . ?
C505 C504 C509 120.5(7) . . ?
C505 C504 N502 118.7(7) . . ?
C509 C504 N502 120.7(7) . . ?
C504 C505 C506 121.8(8) . . ?
C507 C506 C505 119.0(8) . . ?
C506 C507 C508 121.0(7) . . ?
C507 C508 C509 121.0(7) . . ?
C507 C508 C513 122.6(7) . . ?
C509 C508 C513 116.4(7) . . ?
N510 C509 C504 120.5(6) . . ?
N510 C509 C508 122.8(6) . . ?
C504 C509 C508 116.4(7) . . ?
C511 N510 C509 116.7(6) . . ?
N510 C511 C512 126.4(6) . . ?
N510 C511 C519 115.3(6) . . ?
C512 C511 C519 118.3(6) . . ?
C513 C512 C511 117.5(7) . . ?
O514 C513 C512 126.4(7) . . ?
O514 C513 C508 114.1(7) . . ?
C512 C513 C508 119.5(7) . . ?
C513 O514 C515 118.7(6) . . ?
O514 C515 C516 107.9(7) . . ?
C517 C516 C518 112.5(11) . . ?
C517 C516 C515 108.3(9) . . ?
C518 C516 C515 110.1(8) . . ?
O520 C519 N521 124.2(7) . . ?
O520 C519 C511 121.8(6) . . ?
N521 C519 C511 114.1(6) . . ?
C519 N521 C522 130.2(6) . . ?
C523 C522 N521 124.8(6) . . ?
C523 C522 C527 120.4(6) . . ?
N521 C522 C527 114.8(6) . . ?
C522 C523 C524 120.1(7) . . ?
C525 C524 C523 119.9(7) . . ?
C524 C525 C526 121.8(7) . . ?
C527 C526 C531 117.4(6) . . ?
C527 C526 C525 118.0(7) . . ?
C531 C526 C525 124.5(6) . . ?
N528 C527 C526 123.1(6) . . ?
N528 C527 C522 117.2(6) . . ?
C526 C527 C522 119.7(6) . . ?
C529 N528 C527 117.1(5) . . ?
N528 C529 C530 123.5(6) . . ?
N528 C529 C537 116.3(5) . . ?
C530 C529 C537 120.0(6) . . ?
C531 C530 C529 119.3(7) . . ?
C530 C531 O532 124.4(7) . . ?
C530 C531 C526 119.6(6) . . ?
O532 C531 C526 116.1(6) . . ?
C531 O532 C533 119.0(6) . . ?
O532 C533 C534 106.4(8) . . ?
C535 C534 C533 96.1(15) . . ?
C535 C534 C536 82.1(16) . . ?
C533 C534 C536 100.1(12) . . ?
C534 C535 C536 52.2(11) . . ?
C534 C536 C535 45.7(9) . . ?
O538 C537 N539 125.3(6) . . ?
O538 C537 C529 122.3(6) . . ?
N539 C537 C529 112.5(6) . . ?
C537 N539 C540 131.2(5) . . ?
C541 C540 N539 124.9(6) . . ?
C541 C540 C545 120.5(6) . . ?
N539 C540 C545 114.6(5) . . ?
C540 C541 C542 118.8(6) . . ?
C543 C542 C541 123.2(6) . . ?
C542 C543 C544 119.6(6) . . ?
C549 C544 C543 124.6(6) . . ?
C549 C544 C545 116.1(6) . . ?
C543 C544 C545 119.3(6) . . ?
N546 C545 C544 123.9(5) . . ?
N546 C545 C540 117.5(5) . . ?
C544 C545 C540 118.6(6) . . ?
C547 N546 C545 117.2(5) . . ?
N546 C547 C548 123.9(6) . . ?
N546 C547 C555 117.1(5) . . ?
C548 C547 C555 119.0(6) . . ?
C549 C548 C547 118.7(6) . . ?
O550 C549 C548 124.2(6) . . ?
O550 C549 C544 115.6(6) . . ?
C548 C549 C544 120.1(6) . . ?
C549 O550 C551 117.1(5) . . ?
O550 C551 C552 107.9(7) . . ?
C554 C552 C551 112.1(10) . . ?
C554 C552 C553 113.0(11) . . ?
C551 C552 C553 112.3(9) . . ?
O556 C555 N557 125.9(6) . . ?
O556 C555 C547 121.8(6) . . ?
N557 C555 C547 112.2(5) . . ?
C555 N557 C558 131.1(5) . . ?
C559 C558 N557 123.2(6) . . ?
C559 C558 C563 121.1(6) . . ?
N557 C558 C563 115.6(6) . . ?
C558 C559 C560 119.9(7) . . ?
C561 C560 C559 120.1(7) . . ?
C560 C561 C562 120.6(7) . . ?
C561 C562 C563 119.9(7) . . ?
C561 C562 C567 123.9(6) . . ?
C563 C562 C567 116.1(6) . . ?
N564 C563 C562 124.0(6) . . ?
N564 C563 C558 117.7(6) . . ?
C562 C563 C558 118.3(6) . . ?
C565 N564 C563 117.1(5) . . ?
N564 C565 C566 122.3(6) . . ?
N564 C565 C573 118.3(6) . . ?
C566 C565 C573 119.4(6) . . ?
C567 C566 C565 122.0(7) . . ?
O568 C567 C566 126.0(7) . . ?
O568 C567 C562 115.5(6) . . ?
C566 C567 C562 118.5(6) . . ?
C567 O568 C569 117.8(6) . . ?
O568 C569 C570 104.1(7) . . ?
C571 C570 C572 98.8(11) . . ?
C571 C570 C569 103.8(11) . . ?
C572 C570 C569 99.3(9) . . ?
O574 C573 N575 123.8(7) . . ?
O574 C573 C565 122.0(7) . . ?
N575 C573 C565 114.2(6) . . ?
C573 N575 C576 121.5(6) . . ?
C577 C576 N575 113.5(7) . . ?
O578 C577 C576 118.4(8) . . ?
C577 O578 C577 132.8(10) 2_656 . ?
O701 N702 O703 121.0(8) . . ?
O701 N702 C704 117.1(8) . . ?
O703 N702 C704 121.4(8) . . ?
C705 C704 C709 121.8(7) . . ?
C705 C704 N702 117.6(7) . . ?
C709 C704 N702 120.5(6) . . ?
C704 C705 C706 121.6(7) . . ?
C707 C706 C705 118.7(7) . . ?
C706 C707 C708 120.2(7) . . ?
C709 C708 C707 120.7(7) . . ?
C709 C708 C713 117.7(7) . . ?
C707 C708 C713 121.6(7) . . ?
N710 C709 C704 121.3(6) . . ?
N710 C709 C708 121.9(6) . . ?
C704 C709 C708 116.7(6) . . ?
C711 N710 C709 117.5(6) . . ?
N710 C711 C712 124.4(7) . . ?
N710 C711 C719 116.0(6) . . ?
C712 C711 C719 119.6(6) . . ?
C713 C712 C711 119.0(7) . . ?
O714 C713 C712 126.6(7) . . ?
O714 C713 C708 114.5(7) . . ?
C712 C713 C708 118.7(7) . . ?
C713 O714 C715 118.5(7) . . ?
O714 C715 C716 107.3(8) . . ?
C718 C716 C717 96.4(16) . . ?
C718 C716 C715 98.8(15) . . ?
C717 C716 C715 108.9(12) . . ?
O720 C719 N721 126.8(7) . . ?
O720 C719 C711 120.6(7) . . ?
N721 C719 C711 112.6(6) . . ?
C719 N721 C722 127.3(6) . . ?
C723 C722 C727 120.6(7) . . ?
C723 C722 N721 125.4(7) . . ?
C727 C722 N721 113.9(6) . . ?
C722 C723 C724 119.4(7) . . ?
C725 C724 C723 121.7(7) . . ?
C724 C725 C726 119.6(7) . . ?
C725 C726 C731 123.2(7) . . ?
C725 C726 C727 120.8(7) . . ?
C731 C726 C727 116.0(6) . . ?
N728 C727 C722 117.7(6) . . ?
N728 C727 C726 124.5(6) . . ?
C722 C727 C726 117.8(6) . . ?
C729 N728 C727 116.9(5) . . ?
N728 C729 C730 124.0(6) . . ?
N728 C729 C737 117.2(6) . . ?
C730 C729 C737 118.8(6) . . ?
C731 C730 C729 118.0(7) . . ?
O732 C731 C730 124.4(7) . . ?
O732 C731 C726 115.2(7) . . ?
C730 C731 C726 120.5(6) . . ?
C731 O732 C733 120.4(6) . . ?
O732 C733 C734 106.7(7) . . ?
C736 C734 C735 116.0(11) . . ?
C736 C734 C733 112.4(10) . . ?
C735 C734 C733 103.6(10) . . ?
O738 C737 N739 125.4(6) . . ?
O738 C737 C729 121.6(6) . . ?
N739 C737 C729 112.9(6) . . ?
C737 N739 C740 128.2(5) . . ?
N739 C740 C741 125.1(6) . . ?
N739 C740 C745 116.3(5) . . ?
C741 C740 C745 118.5(6) . . ?
C742 C741 C740 120.4(6) . . ?
C743 C742 C741 122.6(7) . . ?
C742 C743 C744 119.0(6) . . ?
C749 C744 C743 123.7(6) . . ?
C749 C744 C745 116.1(6) . . ?
C743 C744 C745 120.2(6) . . ?
N746 C745 C740 116.7(5) . . ?
N746 C745 C744 124.2(5) . . ?
C740 C745 C744 119.0(5) . . ?
C747 N746 C745 115.8(5) . . ?
N746 C747 C748 125.7(6) . . ?
N746 C747 C755 115.8(6) . . ?
C748 C747 C755 118.5(6) . . ?
C747 C748 C749 118.0(6) . . ?
O750 C749 C748 125.8(6) . . ?
O750 C749 C744 114.1(6) . . ?
C748 C749 C744 120.1(6) . . ?
C749 O750 C751 119.9(6) . . ?
O750 C751 C752 107.7(7) . . ?
C751 C752 C753 109.0(8) . . ?
C751 C752 C754 107.4(9) . . ?
C753 C752 C754 121.0(10) . . ?
O756 C755 N757 127.5(6) . . ?
O756 C755 C747 123.1(7) . . ?
N757 C755 C747 109.4(6) . . ?
C755 N757 C758 127.6(6) . . ?
C759 C758 N757 127.0(6) . . ?
C759 C758 C763 119.7(6) . . ?
N757 C758 C763 113.2(5) . . ?
C758 C759 C760 121.0(7) . . ?
C761 C760 C759 121.5(7) . . ?
C760 C761 C762 119.7(7) . . ?
C763 C762 C761 119.7(7) . . ?
C763 C762 C767 115.0(6) . . ?
C761 C762 C767 125.3(7) . . ?
N764 C763 C762 124.9(6) . . ?
N764 C763 C758 116.9(6) . . ?
C762 C763 C758 118.2(6) . . ?
C763 N764 C765 115.7(6) . . ?
N764 C765 C766 124.9(7) . . ?
N764 C765 C773 116.6(6) . . ?
C766 C765 C773 118.5(7) . . ?
C767 C766 C765 119.4(7) . . ?
C766 C767 O768 126.2(7) . . ?
C766 C767 C762 120.1(7) . . ?
O768 C767 C762 113.7(7) . . ?
C767 O768 C769 116.2(6) . . ?
O768 C769 C770 106.5(7) . . ?
C771 C770 C772 113.0(14) . . ?
C771 C770 C769 111.9(15) . . ?
C772 C770 C769 107.7(10) . . ?
O774 C773 C775 124.1(7) . . ?
O774 C773 C765 121.3(7) . . ?
C775 C773 C765 114.5(7) . . ?
C773 C775 C776 121.0(7) . . ?
C777 C776 C775 111.5(7) . . ?
O778 C777 C776 125.6(9) . . ?
C777 O778 C777 141.4(13) . 2 ?
C901 C901 Cl91 132(2) 7_556 . ?

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
O501 N502 C504 C505 145.0(8) . . . . ?
O503 N502 C504 C505 -31.9(10) . . . . ?
O501 N502 C504 C509 -32.1(11) . . . . ?
O503 N502 C504 C509 151.0(7) . . . . ?
C509 C504 C505 C506 2.3(11) . . . . ?
N502 C504 C505 C506 -174.8(7) . . . . ?
C504 C505 C506 C507 1.9(12) . . . . ?
C505 C506 C507 C508 -5.3(11) . . . . ?
C506 C507 C508 C509 4.7(11) . . . . ?
C506 C507 C508 C513 -176.5(7) . . . . ?
C505 C504 C509 N510 170.7(6) . . . . ?
N502 C504 C509 N510 -12.3(10) . . . . ?
C505 C504 C509 C508 -2.8(9) . . . . ?
N502 C504 C509 C508 174.2(6) . . . . ?
C507 C508 C509 N510 -173.9(6) . . . . ?
C513 C508 C509 N510 7.3(9) . . . . ?
C507 C508 C509 C504 -0.5(9) . . . . ?
C513 C508 C509 C504 -179.4(6) . . . . ?
C504 C509 N510 C511 -179.5(6) . . . . ?
C508 C509 N510 C511 -6.4(9) . . . . ?
C509 N510 C511 C512 -0.5(10) . . . . ?
C509 N510 C511 C519 178.2(5) . . . . ?
N510 C511 C512 C513 6.1(10) . . . . ?
C519 C511 C512 C513 -172.6(6) . . . . ?
C511 C512 C513 O514 175.4(6) . . . . ?
C511 C512 C513 C508 -4.7(10) . . . . ?
C507 C508 C513 O514 -0.4(10) . . . . ?
C509 C508 C513 O514 178.5(6) . . . . ?
C507 C508 C513 C512 179.8(7) . . . . ?
C509 C508 C513 C512 -1.4(9) . . . . ?
C512 C513 O514 C515 -2.4(11) . . . . ?
C508 C513 O514 C515 177.7(6) . . . . ?
C513 O514 C515 C516 176.2(7) . . . . ?
O514 C515 C516 C517 -177.0(9) . . . . ?
O514 C515 C516 C518 -53.6(12) . . . . ?
N510 C511 C519 O520 162.8(6) . . . . ?
C512 C511 C519 O520 -18.3(9) . . . . ?
N510 C511 C519 N521 -17.5(8) . . . . ?
C512 C511 C519 N521 161.4(6) . . . . ?
O520 C519 N521 C522 2.1(11) . . . . ?
C511 C519 N521 C522 -177.6(6) . . . . ?
C519 N521 C522 C523 -7.0(11) . . . . ?
C519 N521 C522 C527 172.9(6) . . . . ?
N521 C522 C523 C524 -177.1(7) . . . . ?
C527 C522 C523 C524 3.0(10) . . . . ?
C522 C523 C524 C525 -1.4(11) . . . . ?
C523 C524 C525 C526 -0.1(12) . . . . ?
C524 C525 C526 C527 0.1(11) . . . . ?
C524 C525 C526 C531 179.0(7) . . . . ?
C531 C526 C527 N528 2.0(9) . . . . ?
C525 C526 C527 N528 -179.0(6) . . . . ?
C531 C526 C527 C522 -177.6(6) . . . . ?
C525 C526 C527 C522 1.4(9) . . . . ?
C523 C522 C527 N528 177.4(6) . . . . ?
N521 C522 C527 N528 -2.5(8) . . . . ?
C523 C522 C527 C526 -3.0(9) . . . . ?
N521 C522 C527 C526 177.1(6) . . . . ?
C526 C527 N528 C529 -2.4(9) . . . . ?
C522 C527 N528 C529 177.1(5) . . . . ?
C527 N528 C529 C530 0.6(9) . . . . ?
C527 N528 C529 C537 175.9(5) . . . . ?
N528 C529 C530 C531 1.7(10) . . . . ?
C537 C529 C530 C531 -173.5(6) . . . . ?
C529 C530 C531 O532 179.2(6) . . . . ?
C529 C530 C531 C526 -2.1(10) . . . . ?
C527 C526 C531 C530 0.4(10) . . . . ?
C525 C526 C531 C530 -178.6(7) . . . . ?
C527 C526 C531 O532 179.2(6) . . . . ?
C525 C526 C531 O532 0.2(10) . . . . ?
C530 C531 O532 C533 -4.6(11) . . . . ?
C526 C531 O532 C533 176.6(8) . . . . ?
C531 O532 C533 C534 -165.4(9) . . . . ?
O532 C533 C534 C535 -84.6(14) . . . . ?
O532 C533 C534 C536 -167.7(13) . . . . ?
C533 C534 C535 C536 -99.3(12) . . . . ?
C533 C534 C536 C535 94.9(16) . . . . ?
N528 C529 C537 O538 167.4(6) . . . . ?
C530 C529 C537 O538 -17.1(9) . . . . ?
N528 C529 C537 N539 -13.3(8) . . . . ?
C530 C529 C537 N539 162.2(6) . . . . ?
O538 C537 N539 C540 1.1(11) . . . . ?
C529 C537 N539 C540 -178.1(6) . . . . ?
C537 N539 C540 C541 -14.6(10) . . . . ?
C537 N539 C540 C545 166.8(6) . . . . ?
N539 C540 C541 C542 -178.3(6) . . . . ?
C545 C540 C541 C542 0.3(9) . . . . ?
C540 C541 C542 C543 2.3(10) . . . . ?
C541 C542 C543 C544 -2.4(11) . . . . ?
C542 C543 C544 C549 179.3(7) . . . . ?
C542 C543 C544 C545 -0.1(10) . . . . ?
C549 C544 C545 N546 5.2(9) . . . . ?
C543 C544 C545 N546 -175.4(6) . . . . ?
C549 C544 C545 C540 -176.9(6) . . . . ?
C543 C544 C545 C540 2.5(9) . . . . ?
C541 C540 C545 N546 175.4(5) . . . . ?
N539 C540 C545 N546 -5.9(8) . . . . ?
C541 C540 C545 C544 -2.6(9) . . . . ?
N539 C540 C545 C544 176.1(5) . . . . ?
C544 C545 N546 C547 -3.1(9) . . . . ?
C540 C545 N546 C547 179.0(5) . . . . ?
C545 N546 C547 C548 -0.1(9) . . . . ?
C545 N546 C547 C555 177.8(5) . . . . ?
N546 C547 C548 C549 1.0(10) . . . . ?
C555 C547 C548 C549 -176.9(6) . . . . ?
C547 C548 C549 O550 -177.9(6) . . . . ?
C547 C548 C549 C544 1.3(10) . . . . ?
C543 C544 C549 O550 -4.3(10) . . . . ?
C545 C544 C549 O550 175.1(5) . . . . ?
C543 C544 C549 C548 176.5(6) . . . . ?
C545 C544 C549 C548 -4.1(9) . . . . ?
C548 C549 O550 C551 0.4(10) . . . . ?
C544 C549 O550 C551 -178.8(6) . . . . ?
C549 O550 C551 C552 171.3(7) . . . . ?
O550 C551 C552 C554 59.7(12) . . . . ?
O550 C551 C552 C553 -68.8(11) . . . . ?
N546 C547 C555 O556 164.1(6) . . . . ?
C548 C547 C555 O556 -17.9(9) . . . . ?
N546 C547 C555 N557 -13.6(8) . . . . ?
C548 C547 C555 N557 164.4(6) . . . . ?
O556 C555 N557 C558 -2.2(10) . . . . ?
C547 C555 N557 C558 175.4(5) . . . . ?
C555 N557 C558 C559 -10.6(10) . . . . ?
C555 N557 C558 C563 171.3(6) . . . . ?
N557 C558 C559 C560 -176.4(6) . . . . ?
C563 C558 C559 C560 1.7(9) . . . . ?
C558 C559 C560 C561 -0.6(10) . . . . ?
C559 C560 C561 C562 -0.3(11) . . . . ?
C560 C561 C562 C563 0.0(10) . . . . ?
C560 C561 C562 C567 -177.7(7) . . . . ?
C561 C562 C563 N564 -177.9(6) . . . . ?
C567 C562 C563 N564 0.0(9) . . . . ?
C561 C562 C563 C558 1.1(9) . . . . ?
C567 C562 C563 C558 179.0(6) . . . . ?
C559 C558 C563 N564 177.1(5) . . . . ?
N557 C558 C563 N564 -4.7(8) . . . . ?
C559 C558 C563 C562 -1.9(9) . . . . ?
N557 C558 C563 C562 176.3(5) . . . . ?
C562 C563 N564 C565 -0.2(8) . . . . ?
C558 C563 N564 C565 -179.2(5) . . . . ?
C563 N564 C565 C566 -0.7(9) . . . . ?
C563 N564 C565 C573 176.5(5) . . . . ?
N564 C565 C566 C567 2.0(10) . . . . ?
C573 C565 C566 C567 -175.2(6) . . . . ?
C565 C566 C567 O568 178.6(6) . . . . ?
C565 C566 C567 C562 -2.2(10) . . . . ?
C561 C562 C567 O568 -1.7(10) . . . . ?
C563 C562 C567 O568 -179.5(5) . . . . ?
C561 C562 C567 C566 179.0(6) . . . . ?
C563 C562 C567 C566 1.2(9) . . . . ?
C566 C567 O568 C569 -4.2(10) . . . . ?
C562 C567 O568 C569 176.5(6) . . . . ?
C567 O568 C569 C570 -164.1(7) . . . . ?
O568 C569 C570 C571 -68.9(10) . . . . ?
O568 C569 C570 C572 -170.4(9) . . . . ?
N564 C565 C573 O574 173.1(6) . . . . ?
C566 C565 C573 O574 -9.5(9) . . . . ?
N564 C565 C573 N575 -8.2(8) . . . . ?
C566 C565 C573 N575 169.1(6) . . . . ?
O574 C573 N575 C576 4.0(10) . . . . ?
C565 C573 N575 C576 -174.7(6) . . . . ?
C573 N575 C576 C577 170.1(7) . . . . ?
N575 C576 C577 O578 -22.7(12) . . . . ?
C576 C577 O578 C577 -176.6(10) . . . 2_656 ?
O701 N702 C704 C705 144.2(9) . . . . ?
O703 N702 C704 C705 -27.7(11) . . . . ?
O701 N702 C704 C709 -32.6(11) . . . . ?
O703 N702 C704 C709 155.5(7) . . . . ?
C709 C704 C705 C706 3.3(10) . . . . ?
N702 C704 C705 C706 -173.5(6) . . . . ?
C704 C705 C706 C707 1.9(10) . . . . ?
C705 C706 C707 C708 -3.9(10) . . . . ?
C706 C707 C708 C709 0.8(10) . . . . ?
C706 C707 C708 C713 179.0(6) . . . . ?
C705 C704 C709 N710 169.2(6) . . . . ?
N702 C704 C709 N710 -14.1(10) . . . . ?
C705 C704 C709 C708 -6.2(9) . . . . ?
N702 C704 C709 C708 170.5(6) . . . . ?
C707 C708 C709 N710 -171.2(6) . . . . ?
C713 C708 C709 N710 10.5(9) . . . . ?
C707 C708 C709 C704 4.2(9) . . . . ?
C713 C708 C709 C704 -174.1(6) . . . . ?
C704 C709 N710 C711 178.3(6) . . . . ?
C708 C709 N710 C711 -6.6(9) . . . . ?
C709 N710 C711 C712 -1.4(9) . . . . ?
C709 N710 C711 C719 176.4(5) . . . . ?
N710 C711 C712 C713 5.1(10) . . . . ?
C719 C711 C712 C713 -172.6(6) . . . . ?
C711 C712 C713 O714 174.6(6) . . . . ?
C711 C712 C713 C708 -0.8(10) . . . . ?
C709 C708 C713 O714 177.5(6) . . . . ?
C707 C708 C713 O714 -0.7(9) . . . . ?
C709 C708 C713 C712 -6.5(9) . . . . ?
C707 C708 C713 C712 175.2(6) . . . . ?
C712 C713 O714 C715 7.4(11) . . . . ?
C708 C713 O714 C715 -177.0(7) . . . . ?
C713 O714 C715 C716 165.8(9) . . . . ?
O714 C715 C716 C718 79.9(18) . . . . ?
O714 C715 C716 C717 179.8(13) . . . . ?
N710 C711 C719 O720 162.7(6) . . . . ?
C712 C711 C719 O720 -19.3(9) . . . . ?
N710 C711 C719 N721 -18.3(8) . . . . ?
C712 C711 C719 N721 159.7(6) . . . . ?
O720 C719 N721 C722 -4.5(11) . . . . ?
C711 C719 N721 C722 176.5(6) . . . . ?
C719 N721 C722 C723 1.4(10) . . . . ?
C719 N721 C722 C727 -176.1(6) . . . . ?
C727 C722 C723 C724 1.7(10) . . . . ?
N721 C722 C723 C724 -175.7(6) . . . . ?
C722 C723 C724 C725 1.3(11) . . . . ?
C723 C724 C725 C726 -2.1(12) . . . . ?
C724 C725 C726 C731 178.7(7) . . . . ?
C724 C725 C726 C727 -0.1(11) . . . . ?
C723 C722 C727 N728 176.7(6) . . . . ?
N721 C722 C727 N728 -5.6(8) . . . . ?
C723 C722 C727 C726 -3.7(9) . . . . ?
N721 C722 C727 C726 174.0(5) . . . . ?
C725 C726 C727 N728 -177.5(6) . . . . ?
C731 C726 C727 N728 3.7(10) . . . . ?
C725 C726 C727 C722 2.9(10) . . . . ?
C731 C726 C727 C722 -175.9(6) . . . . ?
C722 C727 N728 C729 178.0(6) . . . . ?
C726 C727 N728 C729 -1.6(9) . . . . ?
C727 N728 C729 C730 -1.6(10) . . . . ?
C727 N728 C729 C737 177.3(6) . . . . ?
N728 C729 C730 C731 2.5(11) . . . . ?
C737 C729 C730 C731 -176.4(7) . . . . ?
C729 C730 C731 O732 -179.7(7) . . . . ?
C729 C730 C731 C726 -0.2(11) . . . . ?
C725 C726 C731 O732 -1.8(11) . . . . ?
C727 C726 C731 O732 177.0(6) . . . . ?
C725 C726 C731 C730 178.6(7) . . . . ?
C727 C726 C731 C730 -2.6(10) . . . . ?
C730 C731 O732 C733 6.2(12) . . . . ?
C726 C731 O732 C733 -173.4(7) . . . . ?
C731 O732 C733 C734 165.8(8) . . . . ?
O732 C733 C734 C736 -62.5(13) . . . . ?
O732 C733 C734 C735 171.5(11) . . . . ?
N728 C729 C737 O738 172.1(7) . . . . ?
C730 C729 C737 O738 -8.9(11) . . . . ?
N728 C729 C737 N739 -12.0(9) . . . . ?
C730 C729 C737 N739 167.0(6) . . . . ?
O738 C737 N739 C740 -3.9(12) . . . . ?
C729 C737 N739 C740 -179.6(6) . . . . ?
C737 N739 C740 C741 -12.2(10) . . . . ?
C737 N739 C740 C745 170.4(6) . . . . ?
N739 C740 C741 C742 -175.6(6) . . . . ?
C745 C740 C741 C742 1.8(10) . . . . ?
C740 C741 C742 C743 1.4(12) . . . . ?
C741 C742 C743 C744 -0.6(12) . . . . ?
C742 C743 C744 C749 177.7(7) . . . . ?
C742 C743 C744 C745 -3.4(11) . . . . ?
N739 C740 C745 N746 -4.2(8) . . . . ?
C741 C740 C745 N746 178.2(5) . . . . ?
N739 C740 C745 C744 172.0(5) . . . . ?
C741 C740 C745 C744 -5.6(9) . . . . ?
C749 C744 C745 N746 1.3(9) . . . . ?
C743 C744 C745 N746 -177.6(6) . . . . ?
C749 C744 C745 C740 -174.6(6) . . . . ?
C743 C744 C745 C740 6.5(10) . . . . ?
C740 C745 N746 C747 177.6(5) . . . . ?
C744 C745 N746 C747 1.7(8) . . . . ?
C745 N746 C747 C748 -2.6(9) . . . . ?
C745 N746 C747 C755 178.3(5) . . . . ?
N746 C747 C748 C749 0.5(10) . . . . ?
C755 C747 C748 C749 179.5(6) . . . . ?
C747 C748 C749 O750 -176.5(6) . . . . ?
C747 C748 C749 C744 2.8(10) . . . . ?
C743 C744 C749 O750 -5.3(10) . . . . ?
C745 C744 C749 O750 175.9(6) . . . . ?
C743 C744 C749 C748 175.3(7) . . . . ?
C745 C744 C749 C748 -3.5(10) . . . . ?
C748 C749 O750 C751 9.0(11) . . . . ?
C744 C749 O750 C751 -170.4(7) . . . . ?
C749 O750 C751 C752 168.4(7) . . . . ?
O750 C751 C752 C753 67.2(10) . . . . ?
O750 C751 C752 C754 -65.5(9) . . . . ?
N746 C747 C755 O756 164.4(6) . . . . ?
C748 C747 C755 O756 -14.8(9) . . . . ?
N746 C747 C755 N757 -16.3(7) . . . . ?
C748 C747 C755 N757 164.6(5) . . . . ?
O756 C755 N757 C758 -8.3(11) . . . . ?
C747 C755 N757 C758 172.4(5) . . . . ?
C755 N757 C758 C759 -5.5(10) . . . . ?
C755 N757 C758 C763 176.0(6) . . . . ?
N757 C758 C759 C760 -174.4(6) . . . . ?
C763 C758 C759 C760 4.0(9) . . . . ?
C758 C759 C760 C761 -3.1(10) . . . . ?
C759 C760 C761 C762 1.6(11) . . . . ?
C760 C761 C762 C763 -1.1(10) . . . . ?
C760 C761 C762 C767 179.5(7) . . . . ?
C761 C762 C763 N764 -178.1(6) . . . . ?
C767 C762 C763 N764 1.4(9) . . . . ?
C761 C762 C763 C758 2.0(9) . . . . ?
C767 C762 C763 C758 -178.5(6) . . . . ?
C759 C758 C763 N764 176.7(5) . . . . ?
N757 C758 C763 N764 -4.7(8) . . . . ?
C759 C758 C763 C762 -3.5(8) . . . . ?
N757 C758 C763 C762 175.2(5) . . . . ?
C762 C763 N764 C765 0.2(9) . . . . ?
C758 C763 N764 C765 -179.9(5) . . . . ?
C763 N764 C765 C766 -1.1(9) . . . . ?
C763 N764 C765 C773 175.7(5) . . . . ?
N764 C765 C766 C767 0.2(10) . . . . ?
C773 C765 C766 C767 -176.5(6) . . . . ?
C765 C766 C767 O768 -178.7(6) . . . . ?
C765 C766 C767 C762 1.5(10) . . . . ?
C763 C762 C767 C766 -2.2(9) . . . . ?
C761 C762 C767 C766 177.2(6) . . . . ?
C763 C762 C767 O768 178.0(5) . . . . ?
C761 C762 C767 O768 -2.6(10) . . . . ?
C766 C767 O768 C769 -1.9(10) . . . . ?
C762 C767 O768 C769 177.8(7) . . . . ?
C767 O768 C769 C770 175.6(9) . . . . ?
O768 C769 C770 C771 61.6(18) . . . . ?
O768 C769 C770 C772 -173.6(12) . . . . ?
N764 C765 C773 O774 175.2(7) . . . . ?
C766 C765 C773 O774 -7.8(10) . . . . ?
N764 C765 C773 C775 -6.4(9) . . . . ?
C766 C765 C773 C775 170.6(6) . . . . ?
O774 C773 C775 C776 0.7(12) . . . . ?
C765 C773 C775 C776 -177.7(7) . . . . ?
C773 C775 C776 C777 164.5(9) . . . . ?
C775 C776 C777 O778 -16.4(16) . . . . ?
C776 C777 O778 C777 179.6(14) . . . 2 ?

_diffrn_measured_fraction_theta_max 0.953
_diffrn_reflns_theta_full        72.32
_diffrn_measured_fraction_theta_full 0.953
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.076
_database_code_depnum_ccdc_archive 'CCDC 851347'
