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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:
#                         www.ccdc.cam.ac.uk
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#  from this site to visualise CIF-encoded structures and 
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data_l01
#TrackingRef 'web_deposit_cif_file_2_IvanHuc_1319808504.cpd3.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C132 H134 N18 O21'
_chemical_formula_weight         2308.57

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.5977(2)
_cell_length_b                   16.1710(4)
_cell_length_c                   25.5202(5)
_cell_angle_alpha                85.663(4)
_cell_angle_beta                 74.101(3)
_cell_angle_gamma                82.640(3)
_cell_volume                     6134.2(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    213(2)
_cell_measurement_reflns_used    10747
_cell_measurement_theta_min      6.42
_cell_measurement_theta_max      72.12

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2440
_exptl_absorpt_coefficient_mu    0.699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9208
_exptl_absorpt_correction_T_max  0.9462
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2005)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      213(2)
_diffrn_radiation_wavelength     1.54180
_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            70107
_diffrn_reflns_av_R_equivalents  0.1098
_diffrn_reflns_av_sigmaI/netI    0.0909
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         6.42
_diffrn_reflns_theta_max         72.12
_reflns_number_total             21490
_reflns_number_gt                10747
_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)+(0.6500P)²+0.0000P] 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         21490
_refine_ls_number_parameters     1508
_refine_ls_number_restraints     1609
_refine_ls_R_factor_all          0.3453
_refine_ls_R_factor_gt           0.2532
_refine_ls_wR_factor_ref         0.7127
_refine_ls_wR_factor_gt          0.6392
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.008

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
C1 C 0.8806(10) 1.4813(6) 0.1472(5) 0.107(3) Uani 1 1 d U . .
C2 C 0.9007(13) 1.5139(8) 0.1923(6) 0.143(4) Uani 1 1 d U . .
H2 H 0.8538 1.5327 0.2222 0.171 Uiso 1 1 calc R . .
C3 C 0.9864(15) 1.5178(9) 0.1923(7) 0.158(5) Uani 1 1 d U . .
H3 H 0.9999 1.5344 0.2234 0.190 Uiso 1 1 calc R . .
C4 C 1.0596(13) 1.4955(8) 0.1425(7) 0.138(4) Uani 1 1 d U . .
H4 H 1.1189 1.5045 0.1401 0.166 Uiso 1 1 calc R . .
C5 C 1.0396(9) 1.4617(6) 0.1003(5) 0.108(3) Uani 1 1 d DU . .
C6 C 0.9551(8) 1.4507(5) 0.1003(4) 0.088(2) Uani 1 1 d U . .
N7 N 0.7913(8) 1.4870(5) 0.1475(5) 0.110(2) Uani 1 1 d U . .
O8 O 0.7672(5) 1.5106(5) 0.1080(4) 0.118(3) Uani 1 1 d U . .
O9 O 0.7380(8) 1.4657(5) 0.1909(4) 0.136(3) Uani 1 1 d U . .
C10 C 1.1086(7) 1.4329(6) 0.0539(5) 0.101(3) Uani 1 1 d DU . .
C11 C 1.0855(7) 1.4014(6) 0.0102(5) 0.093(2) Uani 1 1 d U . .
H11 H 1.1283 1.3878 -0.0227 0.111 Uiso 1 1 calc R . .
C12 C 0.9921(6) 1.3915(5) 0.0195(4) 0.0762(19) Uani 1 1 d U . .
N13 N 0.9271(5) 1.4189(5) 0.0633(3) 0.0804(18) Uani 1 1 d U . .
O14 O 1.1947(6) 1.4393(6) 0.0510(5) 0.142(3) Uani 1 1 d DU . .
C15 C 1.2694(9) 1.4090(12) 0.0059(8) 0.173(6) Uani 1 1 d DU . .
H15A H 1.2631 1.4394 -0.0278 0.208 Uiso 1 1 calc R . .
H15B H 1.2659 1.3498 0.0017 0.208 Uiso 1 1 calc R . .
C16 C 1.3615(10) 1.4184(9) 0.0130(10) 0.195(7) Uani 1 1 d DU . .
H16 H 1.3616 1.4021 0.0512 0.234 Uiso 1 1 calc R . .
C17 C 1.3592(10) 1.5124(8) 0.0055(10) 0.189(8) Uani 1 1 d DU . .
H17A H 1.3879 1.5329 0.0304 0.284 Uiso 1 1 calc R . .
H17B H 1.2974 1.5375 0.0130 0.284 Uiso 1 1 calc R . .
H17C H 1.3908 1.5271 -0.0317 0.284 Uiso 1 1 calc R . .
C18 C 1.4408(15) 1.3710(19) -0.0244(15) 0.296(16) Uani 1 1 d DU . .
H18A H 1.4365 1.3116 -0.0181 0.444 Uiso 1 1 calc R . .
H18B H 1.4956 1.3841 -0.0174 0.444 Uiso 1 1 calc R . .
H18C H 1.4417 1.3868 -0.0620 0.444 Uiso 1 1 calc R . .
C19 C 0.9682(5) 1.3550(5) -0.0250(4) 0.0703(18) Uani 1 1 d U . .
O20 O 1.0210(4) 1.3407(4) -0.0689(3) 0.0918(18) Uani 1 1 d U . .
N21 N 0.8834(5) 1.3368(5) -0.0096(3) 0.0836(19) Uani 1 1 d U . .
H21 H 0.8530 1.3490 0.0234 0.100 Uiso 1 1 calc R . .
C22 C 0.8371(5) 1.2996(4) -0.0415(3) 0.091(2) Uani 1 1 d GU . .
C23 C 0.7538(5) 1.2741(5) -0.0149(3) 0.116(3) Uani 1 1 d GU . .
C24 C 0.7053(5) 1.2388(5) -0.0440(4) 0.135(4) Uani 1 1 d GU . .
C25 C 0.7400(6) 1.2291(5) -0.0997(4) 0.150(4) Uani 1 1 d GU . .
H25 H 0.7072 1.2052 -0.1194 0.179 Uiso 1 1 calc R . .
C26 C 0.8234(6) 1.2546(5) -0.1264(3) 0.134(4) Uani 1 1 d GU . .
H26 H 0.8469 1.2479 -0.1640 0.161 Uiso 1 1 calc R . .
C27 C 0.8719(5) 1.2899(4) -0.0973(3) 0.107(3) Uani 1 1 d GU . .
H27 H 0.9282 1.3071 -0.1153 0.128 Uiso 1 1 calc R . .
N28 N 0.7250(5) 1.2854(5) 0.0405(5) 0.106(2) Uani 1 1 d U . .
C29 C 0.6506(8) 1.2558(8) 0.0639(7) 0.139(3) Uani 1 1 d DU . .
C30 C 0.5922(9) 1.2251(9) 0.0368(8) 0.154(4) Uani 1 1 d DU . .
H30 H 0.5328 1.2162 0.0551 0.185 Uiso 1 1 calc R . .
C31 C 0.6307(11) 1.2088(10) -0.0206(9) 0.163(4) Uani 1 1 d DU . .
O32 O 0.5790(7) 1.1798(7) -0.0470(6) 0.190(4) Uani 1 1 d DU . .
C33 C 0.5106(10) 1.1262(10) -0.0243(7) 0.175(6) Uani 1 1 d DU . .
H33A H 0.4576 1.1585 -0.0018 0.211 Uiso 1 1 calc R . .
H33B H 0.5322 1.0823 -0.0009 0.211 Uiso 1 1 calc R . .
C34 C 0.4846(12) 1.0861(10) -0.0698(8) 0.191(7) Uani 1 1 d DU . .
H34 H 0.4364 1.0498 -0.0542 0.229 Uiso 1 1 calc R . .
C35 C 0.5678(15) 1.0364(16) -0.1061(9) 0.226(8) Uani 1 1 d DU . .
H35A H 0.5491 0.9921 -0.1227 0.340 Uiso 1 1 calc R . .
H35B H 0.6072 1.0122 -0.0841 0.340 Uiso 1 1 calc R . .
H35C H 0.5994 1.0734 -0.1345 0.340 Uiso 1 1 calc R . .
C36 C 0.4523(16) 1.1591(14) -0.1038(11) 0.259(12) Uani 1 1 d DU . .
H36A H 0.4351 1.1379 -0.1335 0.388 Uiso 1 1 calc R . .
H36B H 0.5003 1.1939 -0.1184 0.388 Uiso 1 1 calc R . .
H36C H 0.4010 1.1918 -0.0809 0.388 Uiso 1 1 calc R . .
C37 C 0.6240(8) 1.2685(9) 0.1248(8) 0.142(3) Uani 1 1 d U . .
O38 O 0.5472(6) 1.2499(8) 0.1553(6) 0.205(6) Uani 1 1 d U . .
N39 N 0.6900(8) 1.2829(6) 0.1494(5) 0.133(3) Uani 1 1 d U . .
H39 H 0.7396 1.2916 0.1251 0.160 Uiso 1 1 calc R . .
C40 C 0.6994(7) 1.2873(5) 0.2027(4) 0.141(3) Uani 1 1 d GU . .
C41 C 0.6265(6) 1.2998(6) 0.2481(5) 0.186(6) Uani 1 1 d GU . .
H41 H 0.5678 1.3048 0.2443 0.223 Uiso 1 1 calc R . .
C42 C 0.6404(8) 1.3048(6) 0.2993(4) 0.211(7) Uani 1 1 d GU . .
H42 H 0.5911 1.3132 0.3300 0.253 Uiso 1 1 calc R . .
C43 C 0.7272(9) 1.2973(6) 0.3050(3) 0.188(6) Uani 1 1 d GU . .
H43 H 0.7366 1.3007 0.3396 0.226 Uiso 1 1 calc R . .
C44 C 0.8001(7) 1.2848(5) 0.2596(4) 0.137(3) Uani 1 1 d GU . .
C45 C 0.7862(6) 1.2798(5) 0.2084(3) 0.132(3) Uani 1 1 d GU . .
C46 C 0.8949(13) 1.2749(8) 0.2605(6) 0.145(4) Uani 1 1 d DU . .
C47 C 0.9627(11) 1.2658(7) 0.2149(5) 0.126(3) Uani 1 1 d U . .
H47 H 1.0230 1.2650 0.2150 0.152 Uiso 1 1 calc R . .
C48 C 0.9354(10) 1.2570(6) 0.1644(5) 0.110(3) Uani 1 1 d DU . .
N49 N 0.8553(8) 1.2624(6) 0.1639(4) 0.118(3) Uani 1 1 d U . .
O50 O 0.9038(12) 1.2847(8) 0.3109(5) 0.191(4) Uani 1 1 d DU . .
C51 C 0.9925(14) 1.2634(11) 0.3165(7) 0.184(5) Uani 1 1 d DU . .
H51A H 0.9940 1.2874 0.3503 0.220 Uiso 1 1 calc R . .
H51B H 1.0321 1.2933 0.2866 0.220 Uiso 1 1 calc R . .
C52 C 1.0371(11) 1.1723(9) 0.3176(5) 0.143(4) Uani 1 1 d DU . .
H52 H 1.0325 1.1474 0.2843 0.172 Uiso 1 1 calc R . .
C53 C 0.9755(13) 1.1271(12) 0.3662(6) 0.174(7) Uani 1 1 d DU . .
H53A H 1.0029 1.0707 0.3709 0.261 Uiso 1 1 calc R . .
H53B H 0.9179 1.1251 0.3590 0.261 Uiso 1 1 calc R . .
H53C H 0.9671 1.1570 0.3991 0.261 Uiso 1 1 calc R . .
C54 C 1.1342(12) 1.1569(16) 0.3173(8) 0.207(7) Uani 1 1 d DU . .
H54A H 1.1712 1.1735 0.2819 0.311 Uiso 1 1 calc R . .
H54B H 1.1497 1.0980 0.3249 0.311 Uiso 1 1 calc R . .
H54C H 1.1446 1.1892 0.3451 0.311 Uiso 1 1 calc R . .
C55 C 1.0113(8) 1.2317(5) 0.1143(4) 0.091(2) Uani 1 1 d DU . .
O56 O 1.0892(5) 1.2391(4) 0.1113(3) 0.102(2) Uani 1 1 d U . .
N57 N 0.9801(5) 1.2013(4) 0.0784(3) 0.0826(18) Uani 1 1 d U . .
H57 H 0.9219 1.2030 0.0876 0.099 Uiso 1 1 calc R . .
C58 C 1.0204(6) 1.1672(5) 0.0292(4) 0.0771(19) Uani 1 1 d U . .
C59 C 0.9680(7) 1.1272(5) 0.0031(4) 0.084(2) Uani 1 1 d U . .
C60 C 1.0030(7) 1.0957(6) -0.0494(5) 0.091(2) Uani 1 1 d U . .
C61 C 1.0913(7) 1.1105(5) -0.0767(4) 0.091(2) Uani 1 1 d U . .
H61 H 1.1146 1.0937 -0.1128 0.109 Uiso 1 1 calc R . .
C62 C 1.1467(6) 1.1488(6) -0.0533(5) 0.092(3) Uani 1 1 d U . .
H62 H 1.2067 1.1542 -0.0721 0.111 Uiso 1 1 calc R . .
C63 C 1.1094(6) 1.1792(5) -0.0003(5) 0.093(3) Uani 1 1 d U . .
H63 H 1.1442 1.2077 0.0156 0.112 Uiso 1 1 calc R . .
N64 N 0.8840(6) 1.1131(5) 0.0333(3) 0.088(2) Uani 1 1 d U . .
C65 C 0.8364(8) 1.0743(7) 0.0120(5) 0.105(3) Uani 1 1 d U . .
C66 C 0.8667(8) 1.0435(6) -0.0409(5) 0.101(3) Uani 1 1 d U . .
H66 H 0.8298 1.0149 -0.0550 0.121 Uiso 1 1 calc R . .
C67 C 0.9513(9) 1.0563(7) -0.0709(5) 0.108(3) Uani 1 1 d DU . .
O68 O 0.9904(8) 1.0284(6) -0.1234(4) 0.149(3) Uani 1 1 d DU . .
C69 C 0.9446(13) 0.9768(10) -0.1464(6) 0.166(6) Uani 1 1 d DU . .
H69A H 0.9015 0.9491 -0.1173 0.199 Uiso 1 1 calc R . .
H69B H 0.9877 0.9337 -0.1672 0.199 Uiso 1 1 calc R . .
C70 C 0.8971(11) 1.0269(11) -0.1826(7) 0.170(6) Uani 1 1 d DU . .
H70 H 0.8574 1.0725 -0.1614 0.204 Uiso 1 1 calc R . .
C71 C 0.9570(13) 1.0651(12) -0.2319(7) 0.179(7) Uani 1 1 d DU . .
H71A H 0.9593 1.1232 -0.2260 0.269 Uiso 1 1 calc R . .
H71B H 0.9338 1.0615 -0.2632 0.269 Uiso 1 1 calc R . .
H71C H 1.0169 1.0355 -0.2387 0.269 Uiso 1 1 calc R . .
C72 C 0.8393(15) 0.9750(14) -0.2022(10) 0.204(8) Uani 1 1 d DU . .
H72A H 0.8686 0.9602 -0.2395 0.306 Uiso 1 1 calc R . .
H72B H 0.7816 1.0069 -0.2006 0.306 Uiso 1 1 calc R . .
H72C H 0.8305 0.9247 -0.1791 0.306 Uiso 1 1 calc R . .
C73 C 0.7457(8) 1.0510(8) 0.0445(5) 0.113(3) Uani 1 1 d U . .
O74 O 0.6985(6) 1.0174(6) 0.0277(4) 0.140(3) Uani 1 1 d U . .
N75 N 0.7325(6) 1.0686(6) 0.0959(4) 0.104(2) Uani 1 1 d U . .
H75 H 0.7703 1.0983 0.1031 0.125 Uiso 1 1 calc R . .
C76 C 0.6567(8) 1.0414(8) 0.1445(5) 0.115(3) Uani 1 1 d U . .
H76A H 0.6061 1.0855 0.1511 0.138 Uiso 1 1 calc R . .
H76B H 0.6357 0.9909 0.1359 0.138 Uiso 1 1 calc R . .
C77 C 0.6878(7) 1.0253(7) 0.1933(5) 0.101(3) Uani 1 1 d U . .
C78 C 0.6794(9) 1.0857(9) 0.2315(6) 0.121(3) Uani 1 1 d U . .
H78 H 0.6483 1.1385 0.2274 0.145 Uiso 1 1 calc R . .
C79 C 0.7153(8) 1.0688(7) 0.2742(5) 0.109(3) Uani 1 1 d U . .
H79 H 0.7043 1.1088 0.3008 0.131 Uiso 1 1 calc R . .
C80 C 0.7648(8) 0.9992(7) 0.2798(5) 0.106(3) Uani 1 1 d U . .
C81 C 0.7725(9) 0.9375(7) 0.2431(5) 0.111(3) Uani 1 1 d U . .
H81 H 0.8072 0.8867 0.2475 0.133 Uiso 1 1 calc R . .
C82 C 0.7328(8) 0.9460(8) 0.2008(5) 0.114(3) Uani 1 1 d U . .
H82 H 0.7354 0.9017 0.1783 0.137 Uiso 1 1 calc R . .
C83 C 0.8049(8) 0.9835(8) 0.3276(5) 0.107(3) Uani 1 1 d U . .
H83A H 0.8214 1.0356 0.3373 0.128 Uiso 1 1 calc R . .
H83B H 0.8590 0.9435 0.3182 0.128 Uiso 1 1 calc R . .
N84 N 0.7350(5) 0.9485(5) 0.3754(3) 0.091(2) Uani 1 1 d U . .
H84 H 0.6941 0.9218 0.3691 0.109 Uiso 1 1 calc R . .
C85 C 0.7357(7) 0.9583(6) 0.4265(4) 0.090(2) Uani 1 1 d DU . .
O86 O 0.7939(5) 0.9883(4) 0.4393(3) 0.0968(19) Uani 1 1 d U . .
C87 C 0.6515(6) 0.9311(5) 0.4691(4) 0.076(2) Uani 1 1 d DU . .
C88 C 0.6372(7) 0.9524(6) 0.5213(4) 0.087(2) Uani 1 1 d U . .
H88 H 0.6780 0.9814 0.5317 0.105 Uiso 1 1 calc R . .
C89 C 0.5624(7) 0.9305(6) 0.5579(4) 0.087(2) Uani 1 1 d DU . .
C90 C 0.4983(6) 0.8911(5) 0.5410(4) 0.0766(19) Uani 1 1 d U . .
C91 C 0.5214(7) 0.8706(5) 0.4864(4) 0.085(2) Uani 1 1 d U . .
N92 N 0.5994(5) 0.8912(4) 0.4490(3) 0.0760(18) Uani 1 1 d U . .
O92 O 0.5399(4) 0.9477(4) 0.6123(2) 0.0836(16) Uani 1 1 d DU . .
C93 C 0.5986(6) 0.9878(5) 0.6330(4) 0.084(2) Uani 1 1 d DU . .
H93A H 0.6025 1.0444 0.6165 0.101 Uiso 1 1 calc R . .
H93B H 0.6588 0.9571 0.6228 0.101 Uiso 1 1 calc R . .
C94 C 0.5670(9) 0.9925(7) 0.6948(4) 0.111(3) Uani 1 1 d DU . .
H94 H 0.5048 1.0206 0.7039 0.133 Uiso 1 1 calc R . .
C95 C 0.6218(13) 1.0430(10) 0.7168(7) 0.164(6) Uani 1 1 d DU . .
H95A H 0.6501 1.0081 0.7414 0.247 Uiso 1 1 calc R . .
H95B H 0.5834 1.0890 0.7364 0.247 Uiso 1 1 calc R . .
H95C H 0.6677 1.0647 0.6869 0.247 Uiso 1 1 calc R . .
C96 C 0.5630(8) 0.9043(7) 0.7182(5) 0.115(4) Uani 1 1 d DU . .
H96A H 0.6219 0.8812 0.7216 0.172 Uiso 1 1 calc R . .
H96B H 0.5445 0.8708 0.6942 0.172 Uiso 1 1 calc R . .
H96C H 0.5202 0.9042 0.7538 0.172 Uiso 1 1 calc R . .
C97 C 0.4146(6) 0.8710(6) 0.5768(4) 0.082(2) Uani 1 1 d U . .
H97 H 0.3990 0.8831 0.6139 0.098 Uiso 1 1 calc R . .
C98 C 0.3570(7) 0.8335(6) 0.5556(4) 0.087(2) Uani 1 1 d U . .
H98 H 0.3008 0.8227 0.5785 0.104 Uiso 1 1 calc R . .
C99 C 0.3798(6) 0.8115(6) 0.5017(4) 0.083(2) Uani 1 1 d U . .
H99 H 0.3392 0.7862 0.4886 0.099 Uiso 1 1 calc R . .
C100 C 0.4628(6) 0.8267(5) 0.4666(4) 0.0751(19) Uani 1 1 d U . .
N101 N 0.4930(5) 0.8023(5) 0.4127(3) 0.0796(18) Uani 1 1 d U . .
H101 H 0.5477 0.8120 0.3962 0.096 Uiso 1 1 calc R . .
C102 C 0.4531(6) 0.7675(5) 0.3831(4) 0.076(2) Uani 1 1 d U . .
O103 O 0.3745(4) 0.7561(4) 0.3947(3) 0.0862(17) Uani 1 1 d U . .
C104 C 0.5128(6) 0.7447(6) 0.3274(4) 0.083(2) Uani 1 1 d U . .
C105 C 0.4795(7) 0.7153(7) 0.2874(4) 0.094(2) Uani 1 1 d U . .
H105 H 0.4186 0.7076 0.2945 0.113 Uiso 1 1 calc R . .
C106 C 0.5383(6) 0.6980(6) 0.2376(4) 0.085(2) Uani 1 1 d DU . .
C107 C 0.6299(7) 0.7053(6) 0.2263(4) 0.082(2) Uani 1 1 d U . .
C108 C 0.6577(6) 0.7272(6) 0.2724(4) 0.080(2) Uani 1 1 d U . .
N109 N 0.6014(5) 0.7469(4) 0.3215(3) 0.0716(16) Uani 1 1 d U . .
O110 O 0.5124(5) 0.6649(5) 0.1965(3) 0.110(2) Uani 1 1 d DU . .
C111 C 0.4248(7) 0.6385(8) 0.2054(4) 0.111(3) Uani 1 1 d DU . .
H11A H 0.3804 0.6879 0.2087 0.133 Uiso 1 1 calc R . .
H11B H 0.4104 0.6056 0.2400 0.133 Uiso 1 1 calc R . .
C112 C 0.4177(7) 0.5874(8) 0.1606(5) 0.116(3) Uani 1 1 d DU . .
H112 H 0.4344 0.6205 0.1258 0.139 Uiso 1 1 calc R . .
C113 C 0.4859(10) 0.5121(9) 0.1581(6) 0.139(5) Uani 1 1 d DU . .
H11C H 0.4647 0.4737 0.1886 0.209 Uiso 1 1 calc R . .
H11D H 0.5423 0.5294 0.1598 0.209 Uiso 1 1 calc R . .
H11E H 0.4946 0.4847 0.1242 0.209 Uiso 1 1 calc R . .
C114 C 0.3217(9) 0.5691(10) 0.1704(7) 0.141(5) Uani 1 1 d DU . .
H11F H 0.3013 0.5437 0.2066 0.211 Uiso 1 1 calc R . .
H11G H 0.3184 0.5311 0.1435 0.211 Uiso 1 1 calc R . .
H11H H 0.2838 0.6207 0.1672 0.211 Uiso 1 1 calc R . .
C115 C 0.6930(8) 0.6903(7) 0.1762(4) 0.094(3) Uani 1 1 d U . .
H115 H 0.6764 0.6739 0.1461 0.113 Uiso 1 1 calc R . .
C116 C 0.7786(7) 0.7005(5) 0.1730(4) 0.090(2) Uani 1 1 d U . .
H116 H 0.8194 0.6962 0.1383 0.108 Uiso 1 1 calc R . .
C117 C 0.8151(8) 0.7174(6) 0.2171(4) 0.096(3) Uani 1 1 d U . .
H117 H 0.8768 0.7188 0.2122 0.115 Uiso 1 1 calc R . .
C118 C 0.7543(6) 0.7310(6) 0.2660(4) 0.083(2) Uani 1 1 d U . .
N119 N 0.7737(5) 0.7427(5) 0.3152(3) 0.0820(18) Uani 1 1 d U . .
H119 H 0.7276 0.7446 0.3437 0.098 Uiso 1 1 calc R . .
C120 C 0.8488(7) 0.7513(7) 0.3254(4) 0.089(2) Uani 1 1 d U . .
O121 O 0.9173(5) 0.7695(6) 0.2880(3) 0.119(3) Uani 1 1 d U . .
C122 C 0.8468(6) 0.7597(6) 0.3845(4) 0.082(2) Uani 1 1 d U . .
C123 C 0.9131(8) 0.7922(8) 0.3978(5) 0.104(3) Uani 1 1 d U . .
H123 H 0.9630 0.8070 0.3702 0.125 Uiso 1 1 calc R . .
C124 C 0.9086(7) 0.8039(7) 0.4514(5) 0.098(3) Uani 1 1 d DU . .
C125 C 0.8307(7) 0.7734(6) 0.4930(4) 0.089(2) Uani 1 1 d U . .
C126 C 0.7691(6) 0.7420(6) 0.4744(4) 0.084(2) Uani 1 1 d U . .
N127 N 0.7768(5) 0.7319(5) 0.4196(3) 0.0839(19) Uani 1 1 d U . .
O128 O 0.9683(4) 0.8352(5) 0.4721(3) 0.101(2) Uani 1 1 d DU . .
C129 C 1.0388(7) 0.8726(9) 0.4329(5) 0.122(4) Uani 1 1 d DU . .
H12A H 1.0139 0.9185 0.4122 0.147 Uiso 1 1 calc R . .
H12B H 1.0754 0.8313 0.4073 0.147 Uiso 1 1 calc R . .
C130 C 1.0947(8) 0.9049(9) 0.4656(5) 0.128(4) Uani 1 1 d DU . .
H130 H 1.0542 0.9368 0.4961 0.154 Uiso 1 1 calc R . .
C131 C 1.1451(8) 0.8303(10) 0.4885(6) 0.137(5) Uani 1 1 d DU . .
H13A H 1.1059 0.7867 0.5012 0.205 Uiso 1 1 calc R . .
H13B H 1.1643 0.8473 0.5188 0.205 Uiso 1 1 calc R . .
H13C H 1.1972 0.8093 0.4603 0.205 Uiso 1 1 calc R . .
C132 C 1.1571(11) 0.9624(12) 0.4287(7) 0.176(7) Uani 1 1 d DU . .
H13D H 1.2097 0.9294 0.4074 0.264 Uiso 1 1 calc R . .
H13E H 1.1753 0.9996 0.4508 0.264 Uiso 1 1 calc R . .
H13F H 1.1263 0.9949 0.4044 0.264 Uiso 1 1 calc R . .
C133 C 0.8173(7) 0.7874(7) 0.5497(4) 0.093(3) Uani 1 1 d U . .
H133 H 0.8575 0.8144 0.5621 0.112 Uiso 1 1 calc R . .
C134 C 0.7438(7) 0.7596(6) 0.5840(4) 0.090(2) Uani 1 1 d U . .
H134 H 0.7360 0.7641 0.6215 0.108 Uiso 1 1 calc R . .
C135 C 0.6782(6) 0.7246(7) 0.5679(4) 0.089(2) Uani 1 1 d U . .
H135 H 0.6268 0.7099 0.5944 0.106 Uiso 1 1 calc R . .
C136 C 0.6879(7) 0.7110(7) 0.5123(4) 0.088(2) Uani 1 1 d U . .
N137 N 0.6344(5) 0.6749(4) 0.4906(3) 0.0767(17) Uani 1 1 d U . .
H137 H 0.6536 0.6649 0.4561 0.092 Uiso 1 1 calc R . .
C138 C 0.5502(6) 0.6520(5) 0.5186(3) 0.0738(19) Uani 1 1 d DU . .
O139 O 0.5110(4) 0.6616(4) 0.5648(2) 0.0799(16) Uani 1 1 d U . .
C140 C 0.5151(7) 0.6100(5) 0.4779(3) 0.079(2) Uani 1 1 d DU . .
C141 C 0.4213(7) 0.5999(6) 0.4953(4) 0.085(2) Uani 1 1 d U . .
H141 H 0.3855 0.6150 0.5300 0.102 Uiso 1 1 calc R . .
C142 C 0.3873(8) 0.5673(5) 0.4589(4) 0.091(2) Uani 1 1 d DU . .
C143 C 0.4404(9) 0.5400(7) 0.4072(5) 0.103(3) Uani 1 1 d U . .
C144 C 0.5333(8) 0.5504(5) 0.3990(4) 0.090(2) Uani 1 1 d U . .
N145 N 0.5691(6) 0.5856(5) 0.4322(3) 0.0849(19) Uani 1 1 d U . .
C146 C 0.5939(10) 0.5227(7) 0.3453(4) 0.112(3) Uani 1 1 d U . .
C147 C 0.5618(11) 0.4926(8) 0.3047(5) 0.120(3) Uani 1 1 d U . .
H147 H 0.6003 0.4781 0.2706 0.144 Uiso 1 1 calc R . .
C148 C 0.4697(12) 0.4855(8) 0.3177(6) 0.124(3) Uani 1 1 d U . .
H148 H 0.4468 0.4636 0.2919 0.149 Uiso 1 1 calc R . .
C149 C 0.4099(9) 0.5097(6) 0.3679(5) 0.102(3) Uani 1 1 d U . .
H149 H 0.3484 0.5050 0.3743 0.123 Uiso 1 1 calc R . .
N150 N 0.6916(8) 0.5212(7) 0.3375(3) 0.123(3) Uani 1 1 d U . .
O151 O 0.7336(7) 0.5580(6) 0.2950(4) 0.141(3) Uani 1 1 d U . .
O152 O 0.7223(9) 0.4858(10) 0.3695(4) 0.198(6) Uani 1 1 d U . .
O153 O 0.3010(6) 0.5590(4) 0.4656(3) 0.106(2) Uani 1 1 d DU . .
C154 C 0.2377(7) 0.5867(8) 0.5135(5) 0.111(3) Uani 1 1 d DU . .
H15C H 0.2364 0.6472 0.5153 0.133 Uiso 1 1 calc R . .
H15D H 0.2551 0.5599 0.5454 0.133 Uiso 1 1 calc R . .
C155 C 0.1435(8) 0.5653(7) 0.5144(5) 0.118(3) Uani 1 1 d DU . .
H155 H 0.1254 0.5938 0.4828 0.141 Uiso 1 1 calc R . .
C156 C 0.1430(8) 0.4729(7) 0.5122(7) 0.131(5) Uani 1 1 d DU . .
H15E H 0.1462 0.4591 0.4753 0.197 Uiso 1 1 calc R . .
H15F H 0.0882 0.4560 0.5369 0.197 Uiso 1 1 calc R . .
H15G H 0.1943 0.4438 0.5230 0.197 Uiso 1 1 calc R . .
C157 C 0.0806(12) 0.6004(10) 0.5671(7) 0.177(7) Uani 1 1 d DU . .
H15H H 0.0998 0.5743 0.5982 0.266 Uiso 1 1 calc R . .
H15I H 0.0199 0.5889 0.5701 0.266 Uiso 1 1 calc R . .
H15J H 0.0823 0.6602 0.5666 0.266 Uiso 1 1 calc R . .
C201 C 1.2273(8) 0.7327(10) 0.3238(6) 0.194(7) Uani 1 1 d GU . .
H201 H 1.2701 0.7688 0.3236 0.233 Uiso 1 1 calc R . .
C202 C 1.1771(9) 0.7458(9) 0.2859(5) 0.202(7) Uani 1 1 d GU . .
H202 H 1.1860 0.7908 0.2601 0.243 Uiso 1 1 calc R . .
C203 C 1.1138(8) 0.6925(11) 0.2862(5) 0.191(7) Uani 1 1 d GU . .
H203 H 1.0799 0.7014 0.2606 0.229 Uiso 1 1 calc R . .
C204 C 1.1007(9) 0.6261(10) 0.3243(6) 0.208(7) Uani 1 1 d GU . .
H204 H 1.0579 0.5900 0.3245 0.249 Uiso 1 1 calc R . .
C205 C 1.1509(12) 0.6130(10) 0.3622(6) 0.240(9) Uani 1 1 d GU . .
H205 H 1.1420 0.5681 0.3880 0.287 Uiso 1 1 calc R . .
C206 C 1.2142(10) 0.6663(12) 0.3619(5) 0.219(8) Uani 1 1 d GU . .
H206 H 1.2481 0.6574 0.3875 0.263 Uiso 1 1 calc R . .
C301 C 0.1793(8) 1.3863(10) 0.2423(9) 0.241(10) Uani 1 1 d GU . .
H301 H 0.1249 1.4213 0.2502 0.289 Uiso 1 1 calc R . .
C302 C 0.2371(12) 1.3844(10) 0.2754(7) 0.242(8) Uani 1 1 d GU . .
H302 H 0.2218 1.4183 0.3056 0.290 Uiso 1 1 calc R . .
C303 C 0.3176(10) 1.3326(12) 0.2636(8) 0.258(10) Uani 1 1 d GU . .
H303 H 0.3567 1.3313 0.2860 0.310 Uiso 1 1 calc R . .
C304 C 0.3403(9) 1.2825(11) 0.2188(9) 0.275(12) Uani 1 1 d GU . .
H304 H 0.3948 1.2474 0.2109 0.331 Uiso 1 1 calc R . .
C305 C 0.2826(14) 1.2843(11) 0.1858(7) 0.274(10) Uani 1 1 d GU . .
H305 H 0.2979 1.2505 0.1555 0.329 Uiso 1 1 calc R . .
C306 C 0.2021(12) 1.3362(13) 0.1975(8) 0.269(11) Uani 1 1 d GU . .
H306 H 0.1630 1.3374 0.1751 0.322 Uiso 1 1 calc R . .
O401 O 0.2965(11) 1.1274(19) 0.0540(10) 0.323(13) 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
C1 N7 1.381(16) . ?
C1 C2 1.427(16) . ?
C1 C6 1.486(17) . ?
C2 C3 1.35(2) . ?
C3 C4 1.49(2) . ?
C4 C5 1.369(16) . ?
C5 C6 1.352(15) . ?
C5 C10 1.425(13) . ?
C6 N13 1.305(11) . ?
N7 O8 1.190(12) . ?
N7 O9 1.245(12) . ?
C10 O14 1.342(11) . ?
C10 C11 1.409(15) . ?
C11 C12 1.439(12) . ?
C12 N13 1.347(12) . ?
C12 C19 1.472(13) . ?
O14 C15 1.458(14) . ?
C15 C16 1.525(14) . ?
C16 C18 1.501(17) . ?
C16 C17 1.515(15) . ?
C19 O20 1.212(10) . ?
C19 N21 1.337(10) . ?
N21 C22 1.433(8) . ?
C22 C23 1.3900 . ?
C22 C27 1.3900 . ?
C23 C24 1.3900 . ?
C23 N28 1.380(13) . ?
C24 C31 1.290(17) . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
N28 C29 1.286(13) . ?
C29 C30 1.437(14) . ?
C29 C37 1.52(2) . ?
C30 C31 1.45(2) . ?
C31 O32 1.329(13) . ?
O32 C33 1.431(13) . ?
C33 C34 1.540(16) . ?
C34 C36 1.527(15) . ?
C34 C35 1.541(17) . ?
C37 O38 1.296(15) . ?
C37 N39 1.396(19) . ?
N39 C40 1.414(15) . ?
C40 C41 1.3900 . ?
C40 C45 1.3900 . ?
C41 C42 1.3900 . ?
C42 C43 1.3900 . ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C44 C46 1.47(2) . ?
C45 N49 1.353(12) . ?
C46 O50 1.354(14) . ?
C46 C47 1.343(19) . ?
C47 C48 1.487(19) . ?
C48 N49 1.244(15) . ?
C48 C55 1.526(13) . ?
O50 C51 1.425(15) . ?
C51 C52 1.548(16) . ?
C52 C54 1.502(16) . ?
C52 C53 1.544(13) . ?
C55 O56 1.217(12) . ?
C55 N57 1.300(13) . ?
N57 C58 1.364(12) . ?
C58 C63 1.417(12) . ?
C58 C59 1.424(13) . ?
C59 N64 1.363(12) . ?
C59 C60 1.407(14) . ?
C60 C67 1.338(14) . ?
C60 C61 1.405(14) . ?
C61 C62 1.401(14) . ?
C62 C63 1.416(15) . ?
N64 C65 1.279(13) . ?
C65 C66 1.409(17) . ?
C65 C73 1.509(16) . ?
C66 C67 1.364(16) . ?
C67 O68 1.394(12) . ?
O68 C69 1.417(12) . ?
C69 C70 1.471(15) . ?
C70 C71 1.492(15) . ?
C70 C72 1.506(15) . ?
C73 O74 1.153(12) . ?
C73 N75 1.319(16) . ?
N75 C76 1.542(14) . ?
C76 C77 1.450(16) . ?
C77 C82 1.407(16) . ?
C77 C78 1.400(17) . ?
C78 C79 1.351(18) . ?
C79 C80 1.302(16) . ?
C80 C81 1.391(17) . ?
C80 C83 1.508(17) . ?
C81 C82 1.376(17) . ?
C83 N84 1.523(11) . ?
N84 C85 1.329(13) . ?
C85 O86 1.211(11) . ?
C85 C87 1.547(11) . ?
C87 N92 1.323(11) . ?
C87 C88 1.353(13) . ?
C88 C89 1.349(12) . ?
C89 O92 1.377(10) . ?
C89 C90 1.425(13) . ?
C90 C91 1.395(13) . ?
C90 C97 1.434(12) . ?
C91 N92 1.386(11) . ?
C91 C100 1.438(13) . ?
O92 C93 1.417(9) . ?
C93 C94 1.522(12) . ?
C94 C95 1.493(13) . ?
C94 C96 1.505(12) . ?
C97 C98 1.386(13) . ?
C98 C99 1.385(13) . ?
C99 C100 1.395(12) . ?
C100 N101 1.397(11) . ?
N101 C102 1.298(11) . ?
C102 O103 1.214(10) . ?
C102 C104 1.513(13) . ?
C104 N109 1.353(11) . ?
C104 C105 1.402(14) . ?
C105 C106 1.371(14) . ?
C106 O110 1.385(10) . ?
C106 C107 1.397(13) . ?
C107 C115 1.401(13) . ?
C107 C108 1.442(13) . ?
C108 N109 1.353(11) . ?
C108 C118 1.478(13) . ?
O110 C111 1.438(11) . ?
C111 C112 1.496(13) . ?
C112 C113 1.504(13) . ?
C112 C114 1.513(13) . ?
C115 C116 1.346(14) . ?
C116 C117 1.450(15) . ?
C117 C118 1.358(13) . ?
C118 N119 1.401(12) . ?
N119 C120 1.293(12) . ?
C120 O121 1.271(12) . ?
C120 C122 1.518(14) . ?
C122 N127 1.313(11) . ?
C122 C123 1.349(14) . ?
C123 C124 1.376(15) . ?
C124 O128 1.352(10) . ?
C124 C125 1.487(14) . ?
C125 C126 1.348(13) . ?
C125 C133 1.435(15) . ?
C126 N127 1.391(12) . ?
C126 C136 1.486(13) . ?
O128 C129 1.432(11) . ?
C129 C130 1.519(13) . ?
C130 C132 1.514(13) . ?
C130 C131 1.524(14) . ?
C133 C134 1.343(13) . ?
C134 C135 1.396(13) . ?
C135 C136 1.416(14) . ?
C136 N137 1.331(12) . ?
N137 C138 1.395(11) . ?
C138 O139 1.181(9) . ?
C138 C140 1.536(11) . ?
C140 N145 1.293(11) . ?
C140 C141 1.434(13) . ?
C141 C142 1.355(13) . ?
C142 O153 1.334(11) . ?
C142 C143 1.420(16) . ?
C143 C149 1.367(15) . ?
C143 C144 1.437(16) . ?
C144 N145 1.328(12) . ?
C144 C146 1.500(16) . ?
C146 C147 1.407(17) . ?
C146 N150 1.479(17) . ?
C147 C148 1.402(19) . ?
C148 C149 1.411(18) . ?
N150 O152 1.139(12) . ?
N150 O151 1.255(13) . ?
O153 C154 1.406(11) . ?
C154 C155 1.546(13) . ?
C155 C156 1.500(13) . ?
C155 C157 1.531(14) . ?
C201 C202 1.3900 . ?
C201 C206 1.3900 . ?
C202 C203 1.3900 . ?
C203 C204 1.3900 . ?
C204 C205 1.3900 . ?
C205 C206 1.3900 . ?
C301 C302 1.3900 . ?
C301 C306 1.3900 . ?
C302 C303 1.3900 . ?
C303 C304 1.3900 . ?
C304 C305 1.3900 . ?
C305 C306 1.3900 . ?

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
N7 C1 C2 117.2(13) . . ?
N7 C1 C6 123.2(9) . . ?
C2 C1 C6 119.4(13) . . ?
C3 C2 C1 120.5(16) . . ?
C2 C3 C4 119.2(13) . . ?
C5 C4 C3 119.3(15) . . ?
C6 C5 C4 123.1(14) . . ?
C6 C5 C10 115.8(9) . . ?
C4 C5 C10 121.1(13) . . ?
N13 C6 C5 129.3(11) . . ?
N13 C6 C1 112.8(10) . . ?
C5 C6 C1 117.9(10) . . ?
O8 N7 O9 122.0(13) . . ?
O8 N7 C1 121.3(11) . . ?
O9 N7 C1 116.6(12) . . ?
O14 C10 C11 120.2(11) . . ?
O14 C10 C5 120.1(10) . . ?
C11 C10 C5 119.6(9) . . ?
C10 C11 C12 115.5(10) . . ?
N13 C12 C11 124.2(9) . . ?
N13 C12 C19 119.9(7) . . ?
C11 C12 C19 115.8(9) . . ?
C6 N13 C12 115.1(8) . . ?
C10 O14 C15 123.4(10) . . ?
O14 C15 C16 114.0(14) . . ?
C18 C16 C17 114(2) . . ?
C18 C16 C15 116.8(19) . . ?
C17 C16 C15 99.1(12) . . ?
O20 C19 N21 125.5(9) . . ?
O20 C19 C12 123.2(8) . . ?
N21 C19 C12 111.2(8) . . ?
C19 N21 C22 127.2(8) . . ?
C23 C22 C27 120.0 . . ?
C23 C22 N21 117.5(6) . . ?
C27 C22 N21 122.5(6) . . ?
C22 C23 C24 120.0 . . ?
C22 C23 N28 116.0(6) . . ?
C24 C23 N28 124.0(6) . . ?
C31 C24 C25 117.4(11) . . ?
C31 C24 C23 122.4(11) . . ?
C25 C24 C23 120.0 . . ?
C24 C25 C26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C22 120.0 . . ?
C29 N28 C23 113.6(11) . . ?
N28 C29 C30 126.1(14) . . ?
N28 C29 C37 110.8(12) . . ?
C30 C29 C37 122.6(13) . . ?
C31 C30 C29 115.7(12) . . ?
C24 C31 O32 124.5(18) . . ?
C24 C31 C30 116.5(12) . . ?
O32 C31 C30 117.6(15) . . ?
C31 O32 C33 126.3(13) . . ?
O32 C33 C34 110.8(13) . . ?
C36 C34 C33 105.3(14) . . ?
C36 C34 C35 109(2) . . ?
C33 C34 C35 110.0(13) . . ?
O38 C37 N39 118.9(17) . . ?
O38 C37 C29 120.9(16) . . ?
N39 C37 C29 118.7(11) . . ?
C40 N39 C37 138.2(11) . . ?
C41 C40 C45 120.0 . . ?
C41 C40 N39 122.9(8) . . ?
C45 C40 N39 117.1(8) . . ?
C40 C41 C42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C44 C43 C42 120.0 . . ?
C43 C44 C45 120.0 . . ?
C43 C44 C46 125.1(8) . . ?
C45 C44 C46 114.9(8) . . ?
N49 C45 C44 121.6(9) . . ?
N49 C45 C40 118.3(9) . . ?
C44 C45 C40 120.0 . . ?
O50 C46 C47 125.4(18) . . ?
O50 C46 C44 111.9(14) . . ?
C47 C46 C44 122.4(14) . . ?
C46 C47 C48 115.1(15) . . ?
N49 C48 C47 122.2(12) . . ?
N49 C48 C55 121.6(12) . . ?
C47 C48 C55 115.8(12) . . ?
C48 N49 C45 123.3(12) . . ?
C46 O50 C51 114.6(15) . . ?
O50 C51 C52 123.1(15) . . ?
C54 C52 C53 112.8(14) . . ?
C54 C52 C51 118.9(14) . . ?
C53 C52 C51 105.8(14) . . ?
O56 C55 N57 127.5(10) . . ?
O56 C55 C48 121.9(11) . . ?
N57 C55 C48 110.6(10) . . ?
C55 N57 C58 132.8(9) . . ?
C63 C58 N57 122.3(9) . . ?
C63 C58 C59 118.3(9) . . ?
N57 C58 C59 119.0(8) . . ?
N64 C59 C60 120.5(9) . . ?
N64 C59 C58 116.8(9) . . ?
C60 C59 C58 122.3(9) . . ?
C67 C60 C59 119.5(10) . . ?
C67 C60 C61 123.8(11) . . ?
C59 C60 C61 116.6(10) . . ?
C62 C61 C60 123.7(10) . . ?
C61 C62 C63 118.0(9) . . ?
C58 C63 C62 120.8(10) . . ?
C65 N64 C59 118.5(10) . . ?
N64 C65 C66 123.5(11) . . ?
N64 C65 C73 121.4(12) . . ?
C66 C65 C73 114.9(11) . . ?
C67 C66 C65 118.1(9) . . ?
C60 C67 O68 116.0(11) . . ?
C60 C67 C66 119.7(11) . . ?
O68 C67 C66 124.3(10) . . ?
C67 O68 C69 119.5(11) . . ?
O68 C69 C70 110.3(13) . . ?
C69 C70 C71 114.4(15) . . ?
C69 C70 C72 111.0(14) . . ?
C71 C70 C72 107.1(16) . . ?
O74 C73 N75 125.4(12) . . ?
O74 C73 C65 125.2(14) . . ?
N75 C73 C65 109.2(10) . . ?
C73 N75 C76 126.3(9) . . ?
C77 C76 N75 110.8(9) . . ?
C82 C77 C78 118.8(12) . . ?
C82 C77 C76 117.7(12) . . ?
C78 C77 C76 123.4(12) . . ?
C79 C78 C77 120.8(14) . . ?
C80 C79 C78 122.4(13) . . ?
C79 C80 C81 117.7(13) . . ?
C79 C80 C83 120.7(12) . . ?
C81 C80 C83 121.3(12) . . ?
C82 C81 C80 124.1(12) . . ?
C77 C82 C81 115.6(13) . . ?
C80 C83 N84 108.0(8) . . ?
C85 N84 C83 120.9(8) . . ?
O86 C85 N84 124.4(9) . . ?
O86 C85 C87 122.3(10) . . ?
N84 C85 C87 113.3(9) . . ?
N92 C87 C88 127.3(8) . . ?
N92 C87 C85 114.7(8) . . ?
C88 C87 C85 118.0(9) . . ?
C87 C88 C89 117.7(10) . . ?
O92 C89 C88 123.8(9) . . ?
O92 C89 C90 115.6(8) . . ?
C88 C89 C90 120.6(9) . . ?
C91 C90 C97 119.8(9) . . ?
C91 C90 C89 116.4(8) . . ?
C97 C90 C89 123.8(9) . . ?
N92 C91 C90 122.9(9) . . ?
N92 C91 C100 117.1(8) . . ?
C90 C91 C100 120.0(8) . . ?
C87 N92 C91 115.0(8) . . ?
C89 O92 C93 119.9(7) . . ?
O92 C93 C94 111.8(8) . . ?
C95 C94 C96 114.7(10) . . ?
C95 C94 C93 112.7(10) . . ?
C96 C94 C93 107.3(9) . . ?
C98 C97 C90 118.7(9) . . ?
C97 C98 C99 122.0(9) . . ?
C100 C99 C98 120.4(10) . . ?
C99 C100 N101 124.0(8) . . ?
C99 C100 C91 118.9(9) . . ?
N101 C100 C91 117.1(8) . . ?
C102 N101 C100 130.8(8) . . ?
O103 C102 N101 126.9(9) . . ?
O103 C102 C104 119.1(8) . . ?
N101 C102 C104 113.9(8) . . ?
N109 C104 C105 122.9(9) . . ?
N109 C104 C102 114.5(8) . . ?
C105 C104 C102 122.3(9) . . ?
C106 C105 C104 118.2(10) . . ?
O110 C106 C105 122.3(9) . . ?
O110 C106 C107 115.0(8) . . ?
C105 C106 C107 122.5(9) . . ?
C106 C107 C115 125.4(9) . . ?
C106 C107 C108 114.1(8) . . ?
C115 C107 C108 120.4(9) . . ?
N109 C108 C107 124.7(9) . . ?
N109 C108 C118 116.6(8) . . ?
C107 C108 C118 118.7(8) . . ?
C104 N109 C108 116.9(8) . . ?
C106 O110 C111 121.8(8) . . ?
O110 C111 C112 113.0(9) . . ?
C111 C112 C113 106.6(9) . . ?
C111 C112 C114 109.7(10) . . ?
C113 C112 C114 115.4(12) . . ?
C116 C115 C107 116.9(10) . . ?
C115 C116 C117 127.3(10) . . ?
C118 C117 C116 115.7(10) . . ?
C117 C118 N119 126.1(9) . . ?
C117 C118 C108 120.6(9) . . ?
N119 C118 C108 113.1(8) . . ?
C120 N119 C118 130.7(9) . . ?
N119 C120 O121 122.1(10) . . ?
N119 C120 C122 117.1(9) . . ?
O121 C120 C122 119.2(9) . . ?
N127 C122 C123 125.1(10) . . ?
N127 C122 C120 113.8(9) . . ?
C123 C122 C120 121.0(9) . . ?
C122 C123 C124 120.8(10) . . ?
O128 C124 C123 128.8(10) . . ?
O128 C124 C125 114.8(9) . . ?
C123 C124 C125 116.3(9) . . ?
C126 C125 C133 122.2(10) . . ?
C126 C125 C124 117.0(10) . . ?
C133 C125 C124 120.3(9) . . ?
C125 C126 N127 124.3(9) . . ?
C125 C126 C136 121.5(9) . . ?
N127 C126 C136 114.2(8) . . ?
C122 N127 C126 116.3(8) . . ?
C124 O128 C129 115.6(8) . . ?
O128 C129 C130 105.8(9) . . ?
C132 C130 C131 112.5(12) . . ?
C132 C130 C129 108.7(10) . . ?
C131 C130 C129 108.4(11) . . ?
C134 C133 C125 116.0(10) . . ?
C133 C134 C135 124.8(10) . . ?
C136 C135 C134 121.0(9) . . ?
N137 C136 C135 128.6(9) . . ?
N137 C136 C126 117.4(9) . . ?
C135 C136 C126 114.1(9) . . ?
C136 N137 C138 125.3(8) . . ?
O139 C138 N137 128.5(8) . . ?
O139 C138 C140 124.5(8) . . ?
N137 C138 C140 107.0(7) . . ?
N145 C140 C141 124.8(8) . . ?
N145 C140 C138 120.2(8) . . ?
C141 C140 C138 115.0(8) . . ?
C142 C141 C140 116.2(10) . . ?
O153 C142 C141 125.3(10) . . ?
O153 C142 C143 111.2(9) . . ?
C141 C142 C143 123.4(10) . . ?
C149 C143 C142 126.3(12) . . ?
C149 C143 C144 122.0(11) . . ?
C142 C143 C144 111.7(9) . . ?
N145 C144 C143 127.2(10) . . ?
N145 C144 C146 117.8(11) . . ?
C143 C144 C146 114.9(10) . . ?
C140 N145 C144 116.5(9) . . ?
C147 C146 N150 119.8(11) . . ?
C147 C146 C144 122.7(13) . . ?
N150 C146 C144 117.3(10) . . ?
C148 C147 C146 116.8(12) . . ?
C147 C148 C149 122.8(12) . . ?
C143 C149 C148 120.7(13) . . ?
O152 N150 O151 125.8(14) . . ?
O152 N150 C146 118.0(12) . . ?
O151 N150 C146 116.2(9) . . ?
C142 O153 C154 119.2(8) . . ?
O153 C154 C155 110.3(9) . . ?
C156 C155 C157 112.3(12) . . ?
C156 C155 C154 111.0(10) . . ?
C157 C155 C154 105.5(11) . . ?
C202 C201 C206 120.0 . . ?
C201 C202 C203 120.0 . . ?
C202 C203 C204 120.0 . . ?
C205 C204 C203 120.0 . . ?
C204 C205 C206 120.0 . . ?
C205 C206 C201 120.0 . . ?
C302 C301 C306 120.0 . . ?
C301 C302 C303 120.0 . . ?
C304 C303 C302 120.0 . . ?
C303 C304 C305 120.0 . . ?
C306 C305 C304 120.0 . . ?
C305 C306 C301 120.0 . . ?

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
N7 C1 C2 C3 -173.6(12) . . . . ?
C6 C1 C2 C3 0.7(17) . . . . ?
C1 C2 C3 C4 6(2) . . . . ?
C2 C3 C4 C5 -8(2) . . . . ?
C3 C4 C5 C6 3.0(17) . . . . ?
C3 C4 C5 C10 -174.6(11) . . . . ?
C4 C5 C6 N13 -179.3(9) . . . . ?
C10 C5 C6 N13 -1.6(14) . . . . ?
C4 C5 C6 C1 3.6(14) . . . . ?
C10 C5 C6 C1 -178.7(8) . . . . ?
N7 C1 C6 N13 -9.2(13) . . . . ?
C2 C1 C6 N13 176.8(9) . . . . ?
N7 C1 C6 C5 168.4(9) . . . . ?
C2 C1 C6 C5 -5.6(13) . . . . ?
C2 C1 N7 O8 134.0(11) . . . . ?
C6 C1 N7 O8 -40.1(14) . . . . ?
C2 C1 N7 O9 -46.4(13) . . . . ?
C6 C1 N7 O9 139.5(9) . . . . ?
C6 C5 C10 O14 -178.3(8) . . . . ?
C4 C5 C10 O14 -0.6(15) . . . . ?
C6 C5 C10 C11 4.7(13) . . . . ?
C4 C5 C10 C11 -177.6(9) . . . . ?
O14 C10 C11 C12 175.5(8) . . . . ?
C5 C10 C11 C12 -7.4(13) . . . . ?
C10 C11 C12 N13 7.9(13) . . . . ?
C10 C11 C12 C19 -177.2(7) . . . . ?
C5 C6 N13 C12 1.7(13) . . . . ?
C1 C6 N13 C12 178.9(7) . . . . ?
C11 C12 N13 C6 -4.9(12) . . . . ?
C19 C12 N13 C6 -179.6(7) . . . . ?
C11 C10 O14 C15 -5.0(17) . . . . ?
C5 C10 O14 C15 178.0(12) . . . . ?
C10 O14 C15 C16 -176.6(11) . . . . ?
O14 C15 C16 C18 166(2) . . . . ?
O14 C15 C16 C17 -71(2) . . . . ?
N13 C12 C19 O20 168.5(8) . . . . ?
C11 C12 C19 O20 -6.6(12) . . . . ?
N13 C12 C19 N21 -14.1(10) . . . . ?
C11 C12 C19 N21 170.8(7) . . . . ?
O20 C19 N21 C22 -1.8(13) . . . . ?
C12 C19 N21 C22 -179.1(7) . . . . ?
C19 N21 C22 C23 170.0(7) . . . . ?
C19 N21 C22 C27 -11.0(11) . . . . ?
C27 C22 C23 C24 0.0 . . . . ?
N21 C22 C23 C24 179.0(6) . . . . ?
C27 C22 C23 N28 179.3(7) . . . . ?
N21 C22 C23 N28 -1.7(7) . . . . ?
C22 C23 C24 C31 174.9(11) . . . . ?
N28 C23 C24 C31 -4.3(11) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
N28 C23 C24 C25 -179.3(8) . . . . ?
C31 C24 C25 C26 -175.2(10) . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C22 0.0 . . . . ?
C23 C22 C27 C26 0.0 . . . . ?
N21 C22 C27 C26 -179.0(7) . . . . ?
C22 C23 N28 C29 -175.6(8) . . . . ?
C24 C23 N28 C29 3.7(11) . . . . ?
C23 N28 C29 C30 -9.5(17) . . . . ?
C23 N28 C29 C37 178.7(9) . . . . ?
N28 C29 C30 C31 15(2) . . . . ?
C37 C29 C30 C31 -174.2(12) . . . . ?
C25 C24 C31 O32 -9.9(19) . . . . ?
C23 C24 C31 O32 175.0(11) . . . . ?
C25 C24 C31 C30 -175.5(10) . . . . ?
C23 C24 C31 C30 9.4(18) . . . . ?
C29 C30 C31 C24 -14(2) . . . . ?
C29 C30 C31 O32 179.6(10) . . . . ?
C24 C31 O32 C33 161.7(15) . . . . ?
C30 C31 O32 C33 -33(2) . . . . ?
C31 O32 C33 C34 -163.6(15) . . . . ?
O32 C33 C34 C36 -59.0(19) . . . . ?
O32 C33 C34 C35 58.1(18) . . . . ?
N28 C29 C37 O38 173.9(11) . . . . ?
C30 C29 C37 O38 1.8(19) . . . . ?
N28 C29 C37 N39 -20.1(16) . . . . ?
C30 C29 C37 N39 167.7(11) . . . . ?
O38 C37 N39 C40 -4(2) . . . . ?
C29 C37 N39 C40 -170.0(11) . . . . ?
C37 N39 C40 C41 -19.0(17) . . . . ?
C37 N39 C40 C45 161.9(12) . . . . ?
C45 C40 C41 C42 0.0 . . . . ?
N39 C40 C41 C42 -179.0(9) . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C42 C43 C44 C46 -179.2(9) . . . . ?
C43 C44 C45 N49 -175.7(8) . . . . ?
C46 C44 C45 N49 3.5(10) . . . . ?
C43 C44 C45 C40 0.0 . . . . ?
C46 C44 C45 C40 179.3(8) . . . . ?
C41 C40 C45 N49 175.9(8) . . . . ?
N39 C40 C45 N49 -5.1(8) . . . . ?
C41 C40 C45 C44 0.0 . . . . ?
N39 C40 C45 C44 179.1(8) . . . . ?
C43 C44 C46 O50 -4.0(14) . . . . ?
C45 C44 C46 O50 176.8(8) . . . . ?
C43 C44 C46 C47 -177.7(9) . . . . ?
C45 C44 C46 C47 3.1(15) . . . . ?
O50 C46 C47 C48 -179.3(11) . . . . ?
C44 C46 C47 C48 -6.5(17) . . . . ?
C46 C47 C48 N49 3.8(16) . . . . ?
C46 C47 C48 C55 -169.8(10) . . . . ?
C47 C48 N49 C45 2.7(16) . . . . ?
C55 C48 N49 C45 175.9(8) . . . . ?
C44 C45 N49 C48 -6.5(13) . . . . ?
C40 C45 N49 C48 177.7(9) . . . . ?
C47 C46 O50 C51 -16(2) . . . . ?
C44 C46 O50 C51 170.8(13) . . . . ?
C46 O50 C51 C52 -72(2) . . . . ?
O50 C51 C52 C54 173.2(15) . . . . ?
O50 C51 C52 C53 -58.7(18) . . . . ?
N49 C48 C55 O56 167.9(10) . . . . ?
C47 C48 C55 O56 -18.4(13) . . . . ?
N49 C48 C55 N57 -13.2(13) . . . . ?
C47 C48 C55 N57 160.4(8) . . . . ?
O56 C55 N57 C58 2.2(16) . . . . ?
C48 C55 N57 C58 -176.5(8) . . . . ?
C55 N57 C58 C63 -18.1(14) . . . . ?
C55 N57 C58 C59 170.2(8) . . . . ?
C63 C58 C59 N64 177.1(8) . . . . ?
N57 C58 C59 N64 -10.9(11) . . . . ?
C63 C58 C59 C60 3.5(13) . . . . ?
N57 C58 C59 C60 175.5(8) . . . . ?
N64 C59 C60 C67 4.3(14) . . . . ?
C58 C59 C60 C67 177.7(9) . . . . ?
N64 C59 C60 C61 -177.6(8) . . . . ?
C58 C59 C60 C61 -4.2(13) . . . . ?
C67 C60 C61 C62 -177.3(10) . . . . ?
C59 C60 C61 C62 4.7(14) . . . . ?
C60 C61 C62 C63 -4.3(14) . . . . ?
N57 C58 C63 C62 -174.7(8) . . . . ?
C59 C58 C63 C62 -2.9(13) . . . . ?
C61 C62 C63 C58 3.3(14) . . . . ?
C60 C59 N64 C65 -3.4(13) . . . . ?
C58 C59 N64 C65 -177.1(8) . . . . ?
C59 N64 C65 C66 1.4(14) . . . . ?
C59 N64 C65 C73 175.5(9) . . . . ?
N64 C65 C66 C67 -0.4(16) . . . . ?
C73 C65 C66 C67 -174.8(9) . . . . ?
C59 C60 C67 O68 178.8(9) . . . . ?
C61 C60 C67 O68 0.8(16) . . . . ?
C59 C60 C67 C66 -3.2(16) . . . . ?
C61 C60 C67 C66 178.9(9) . . . . ?
C65 C66 C67 C60 1.3(16) . . . . ?
C65 C66 C67 O68 179.1(10) . . . . ?
C60 C67 O68 C69 171.9(12) . . . . ?
C66 C67 O68 C69 -6.0(19) . . . . ?
C67 O68 C69 C70 98.3(16) . . . . ?
O68 C69 C70 C71 65(2) . . . . ?
O68 C69 C70 C72 -173.4(16) . . . . ?
N64 C65 C73 O74 178.6(11) . . . . ?
C66 C65 C73 O74 -6.8(17) . . . . ?
N64 C65 C73 N75 -6.9(14) . . . . ?
C66 C65 C73 N75 167.7(9) . . . . ?
O74 C73 N75 C76 6(2) . . . . ?
C65 C73 N75 C76 -168.9(9) . . . . ?
C73 N75 C76 C77 145.6(11) . . . . ?
N75 C76 C77 C82 -84.2(12) . . . . ?
N75 C76 C77 C78 92.6(13) . . . . ?
C82 C77 C78 C79 1.5(16) . . . . ?
C76 C77 C78 C79 -175.3(10) . . . . ?
C77 C78 C79 C80 5.3(17) . . . . ?
C78 C79 C80 C81 -6.6(16) . . . . ?
C78 C79 C80 C83 179.0(10) . . . . ?
C79 C80 C81 C82 1.3(17) . . . . ?
C83 C80 C81 C82 175.7(10) . . . . ?
C78 C77 C82 C81 -6.1(15) . . . . ?
C76 C77 C82 C81 170.8(10) . . . . ?
C80 C81 C82 C77 5.0(17) . . . . ?
C79 C80 C83 N84 85.2(11) . . . . ?
C81 C80 C83 N84 -89.0(12) . . . . ?
C80 C83 N84 C85 -153.9(10) . . . . ?
C83 N84 C85 O86 -6.3(16) . . . . ?
C83 N84 C85 C87 170.9(9) . . . . ?
O86 C85 C87 N92 -173.0(9) . . . . ?
N84 C85 C87 N92 9.7(12) . . . . ?
O86 C85 C87 C88 9.3(14) . . . . ?
N84 C85 C87 C88 -168.0(9) . . . . ?
N92 C87 C88 C89 0.8(15) . . . . ?
C85 C87 C88 C89 178.2(9) . . . . ?
C87 C88 C89 O92 179.6(9) . . . . ?
C87 C88 C89 C90 -4.0(15) . . . . ?
O92 C89 C90 C91 -177.9(8) . . . . ?
C88 C89 C90 C91 5.4(14) . . . . ?
O92 C89 C90 C97 1.0(13) . . . . ?
C88 C89 C90 C97 -175.7(9) . . . . ?
C97 C90 C91 N92 177.2(8) . . . . ?
C89 C90 C91 N92 -3.9(14) . . . . ?
C97 C90 C91 C100 -2.2(13) . . . . ?
C89 C90 C91 C100 176.7(8) . . . . ?
C88 C87 N92 C91 0.8(13) . . . . ?
C85 C87 N92 C91 -176.7(8) . . . . ?
C90 C91 N92 C87 0.9(13) . . . . ?
C100 C91 N92 C87 -179.7(7) . . . . ?
C88 C89 O92 C93 -2.6(14) . . . . ?
C90 C89 O92 C93 -179.1(7) . . . . ?
C89 O92 C93 C94 -173.6(8) . . . . ?
O92 C93 C94 C95 -173.4(10) . . . . ?
O92 C93 C94 C96 59.5(11) . . . . ?
C91 C90 C97 C98 -1.9(13) . . . . ?
C89 C90 C97 C98 179.3(9) . . . . ?
C90 C97 C98 C99 3.0(14) . . . . ?
C97 C98 C99 C100 0.0(14) . . . . ?
C98 C99 C100 N101 176.2(8) . . . . ?
C98 C99 C100 C91 -4.1(13) . . . . ?
N92 C91 C100 C99 -174.2(8) . . . . ?
C90 C91 C100 C99 5.2(13) . . . . ?
N92 C91 C100 N101 5.5(12) . . . . ?
C90 C91 C100 N101 -175.1(8) . . . . ?
C99 C100 N101 C102 4.8(14) . . . . ?
C91 C100 N101 C102 -174.8(9) . . . . ?
C100 N101 C102 O103 8.6(16) . . . . ?
C100 N101 C102 C104 -175.3(8) . . . . ?
O103 C102 C104 N109 -169.9(8) . . . . ?
N101 C102 C104 N109 13.8(11) . . . . ?
O103 C102 C104 C105 3.7(14) . . . . ?
N101 C102 C104 C105 -172.7(8) . . . . ?
N109 C104 C105 C106 -8.4(14) . . . . ?
C102 C104 C105 C106 178.6(9) . . . . ?
C104 C105 C106 O110 176.9(8) . . . . ?
C104 C105 C106 C107 2.7(15) . . . . ?
O110 C106 C107 C115 6.8(14) . . . . ?
C105 C106 C107 C115 -178.6(10) . . . . ?
O110 C106 C107 C108 -170.7(8) . . . . ?
C105 C106 C107 C108 3.9(13) . . . . ?
C106 C107 C108 N109 -5.8(13) . . . . ?
C115 C107 C108 N109 176.5(9) . . . . ?
C106 C107 C108 C118 175.9(8) . . . . ?
C115 C107 C108 C118 -1.8(13) . . . . ?
C105 C104 N109 C108 6.6(13) . . . . ?
C102 C104 N109 C108 -179.9(7) . . . . ?
C107 C108 N109 C104 0.8(12) . . . . ?
C118 C108 N109 C104 179.1(7) . . . . ?
C105 C106 O110 C111 -6.7(14) . . . . ?
C107 C106 O110 C111 167.9(9) . . . . ?
C106 O110 C111 C112 -166.8(9) . . . . ?
O110 C111 C112 C113 59.6(14) . . . . ?
O110 C111 C112 C114 -174.7(10) . . . . ?
C106 C107 C115 C116 -179.9(9) . . . . ?
C108 C107 C115 C116 -2.5(14) . . . . ?
C107 C115 C116 C117 6.6(15) . . . . ?
C115 C116 C117 C118 -5.8(15) . . . . ?
C116 C117 C118 N119 175.3(8) . . . . ?
C116 C117 C118 C108 0.8(13) . . . . ?
N109 C108 C118 C117 -175.8(9) . . . . ?
C107 C108 C118 C117 2.6(13) . . . . ?
N109 C108 C118 N119 9.0(11) . . . . ?
C107 C108 C118 N119 -172.6(8) . . . . ?
C117 C118 N119 C120 7.2(16) . . . . ?
C108 C118 N119 C120 -177.9(9) . . . . ?
C118 N119 C120 O121 16.9(16) . . . . ?
C118 N119 C120 C122 -177.7(8) . . . . ?
N119 C120 C122 N127 20.1(13) . . . . ?
O121 C120 C122 N127 -173.9(9) . . . . ?
N119 C120 C122 C123 -160.8(10) . . . . ?
O121 C120 C122 C123 5.1(15) . . . . ?
N127 C122 C123 C124 -4.6(18) . . . . ?
C120 C122 C123 C124 176.4(10) . . . . ?
C122 C123 C124 O128 179.8(11) . . . . ?
C122 C123 C124 C125 4.2(17) . . . . ?
O128 C124 C125 C126 179.8(9) . . . . ?
C123 C124 C125 C126 -4.0(15) . . . . ?
O128 C124 C125 C133 7.6(14) . . . . ?
C123 C124 C125 C133 -176.2(10) . . . . ?
C133 C125 C126 N127 176.1(9) . . . . ?
C124 C125 C126 N127 4.1(14) . . . . ?
C133 C125 C126 C136 -7.0(15) . . . . ?
C124 C125 C126 C136 -179.0(9) . . . . ?
C123 C122 N127 C126 4.2(15) . . . . ?
C120 C122 N127 C126 -176.8(8) . . . . ?
C125 C126 N127 C122 -4.0(14) . . . . ?
C136 C126 N127 C122 178.8(8) . . . . ?
C123 C124 O128 C129 10.5(17) . . . . ?
C125 C124 O128 C129 -173.8(10) . . . . ?
C124 O128 C129 C130 178.3(10) . . . . ?
O128 C129 C130 C132 -167.1(13) . . . . ?
O128 C129 C130 C131 70.4(13) . . . . ?
C126 C125 C133 C134 6.4(15) . . . . ?
C124 C125 C133 C134 178.2(10) . . . . ?
C125 C133 C134 C135 -4.9(16) . . . . ?
C133 C134 C135 C136 4.0(17) . . . . ?
C134 C135 C136 N137 176.4(10) . . . . ?
C134 C135 C136 C126 -3.7(14) . . . . ?
C125 C126 C136 N137 -174.8(9) . . . . ?
N127 C126 C136 N137 2.4(12) . . . . ?
C125 C126 C136 C135 5.4(14) . . . . ?
N127 C126 C136 C135 -177.4(8) . . . . ?
C135 C136 N137 C138 8.5(15) . . . . ?
C126 C136 N137 C138 -171.3(8) . . . . ?
C136 N137 C138 O139 2.0(14) . . . . ?
C136 N137 C138 C140 -178.0(8) . . . . ?
O139 C138 C140 N145 -164.8(8) . . . . ?
N137 C138 C140 N145 15.2(10) . . . . ?
O139 C138 C140 C141 14.1(12) . . . . ?
N137 C138 C140 C141 -165.9(7) . . . . ?
N145 C140 C141 C142 -4.7(13) . . . . ?
C138 C140 C141 C142 176.4(7) . . . . ?
C140 C141 C142 O153 -174.5(8) . . . . ?
C140 C141 C142 C143 3.3(13) . . . . ?
O153 C142 C143 C149 0.9(14) . . . . ?
C141 C142 C143 C149 -177.2(9) . . . . ?
O153 C142 C143 C144 178.7(8) . . . . ?
C141 C142 C143 C144 0.6(14) . . . . ?
C149 C143 C144 N145 173.7(9) . . . . ?
C142 C143 C144 N145 -4.2(14) . . . . ?
C149 C143 C144 C146 -2.2(14) . . . . ?
C142 C143 C144 C146 179.8(8) . . . . ?
C141 C140 N145 C144 1.6(13) . . . . ?
C138 C140 N145 C144 -179.6(7) . . . . ?
C143 C144 N145 C140 3.2(13) . . . . ?
C146 C144 N145 C140 179.0(8) . . . . ?
N145 C144 C146 C147 -173.3(9) . . . . ?
C143 C144 C146 C147 3.1(14) . . . . ?
N145 C144 C146 N150 11.6(13) . . . . ?
C143 C144 C146 N150 -172.0(9) . . . . ?
N150 C146 C147 C148 171.8(11) . . . . ?
C144 C146 C147 C148 -3.2(17) . . . . ?
C146 C147 C148 C149 2.4(18) . . . . ?
C142 C143 C149 C148 179.2(10) . . . . ?
C144 C143 C149 C148 1.6(15) . . . . ?
C147 C148 C149 C143 -1.6(18) . . . . ?
C147 C146 N150 O152 -122.5(14) . . . . ?
C144 C146 N150 O152 52.8(17) . . . . ?
C147 C146 N150 O151 55.8(15) . . . . ?
C144 C146 N150 O151 -129.0(10) . . . . ?
C141 C142 O153 C154 1.0(14) . . . . ?
C143 C142 O153 C154 -177.1(9) . . . . ?
C142 O153 C154 C155 -176.0(9) . . . . ?
O153 C154 C155 C156 59.8(14) . . . . ?
O153 C154 C155 C157 -178.4(11) . . . . ?
C206 C201 C202 C203 0.0 . . . . ?
C201 C202 C203 C204 0.0 . . . . ?
C202 C203 C204 C205 0.0 . . . . ?
C203 C204 C205 C206 0.0 . . . . ?
C204 C205 C206 C201 0.0 . . . . ?
C202 C201 C206 C205 0.0 . . . . ?
C306 C301 C302 C303 0.0 . . . . ?
C301 C302 C303 C304 0.0 . . . . ?
C302 C303 C304 C305 0.0 . . . . ?
C303 C304 C305 C306 0.0 . . . . ?
C304 C305 C306 C301 0.0 . . . . ?
C302 C301 C306 C305 0.0 . . . . ?

_diffrn_measured_fraction_theta_max 0.890
_diffrn_reflns_theta_full        72.12
_diffrn_measured_fraction_theta_full 0.890
_refine_diff_density_max         1.058
_refine_diff_density_min         -0.828
_refine_diff_density_rms         0.201


_database_code_depnum_ccdc_archive 'CCDC 851348'
