# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2016

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

data_150723r
_database_code_depnum_ccdc_archive 'CCDC 1439417'
_audit_update_record             
;
2015-11-30 deposited with the CCDC.
2016-02-09 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C152 H152 Cl8 N8 O12'
_chemical_formula_moiety         'C152 H152 Cl8 N8 O12'
_chemical_formula_weight         2566.54
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   9.397(3)
_cell_length_b                   41.912(11)
_cell_length_c                   37.099(11)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.262(3)
_cell_angle_gamma                90.0000
_cell_volume                     14611(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    30846
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.50
_cell_measurement_temperature    150
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5408.00
_exptl_absorpt_coefficient_mu    0.214
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.573
_exptl_absorpt_correction_T_max  0.958

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      150
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.314
_diffrn_reflns_number            68080
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       44
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             25314
_reflns_number_gt                18013
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.1604
_refine_ls_wR_factor_ref         0.4336
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         25312
_refine_ls_number_parameters     1422
_refine_ls_goodness_of_fit_ref   1.997
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         1.650
_refine_diff_density_min         -1.160
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Cl1 Cl 0.9454(3) -0.10287(5) 0.39926(6) 0.0912(6) Uani 1.0 4 d . . .
Cl2 Cl 0.7889(4) -0.04938(6) 0.36868(8) 0.1194(9) Uani 1.0 4 d . . .
Cl3 Cl 0.9112(7) 0.10826(8) 0.35037(15) 0.206(3) Uani 1.0 4 d . . .
Cl4 Cl 1.1406(8) 0.10545(12) 0.3086(3) 0.282(5) Uani 1.0 4 d . . .
Cl5 Cl -0.1741 0.3435 0.4539 0.292(8) Uiso 0.5000 4 d . . .
Cl6 Cl -0.2775 0.3824 0.5127 0.324(10) Uiso 0.5000 4 d . . .
Cl7 Cl -0.3330 0.3888 0.5782 0.178(3) Uiso 0.5000 4 d . . .
Cl8 Cl -0.5000 0.4070 0.6273 0.271(7) Uiso 0.5000 4 d . . .
Cl9 Cl 1.0623(10) 0.3280(2) 0.6355(3) 0.268(4) Uiso 1.0 4 d . . .
Cl10 Cl 1.2047 0.3683 0.6782 0.360(11) Uiso 0.5000 4 d . . .
Cl11 Cl 0.9574 0.3718 0.6528 0.50(2) Uiso 0.5000 4 d . . .
O1 O -0.2485(5) 0.33532(10) 0.22536(12) 0.0691(12) Uani 1.0 4 d . . .
O2 O -0.6515(4) 0.21083(11) 0.27715(10) 0.0604(10) Uani 1.0 4 d . . .
O3 O 0.8336(6) 0.33078(10) 0.76770(13) 0.0754(13) Uani 1.0 4 d . . .
O4 O 1.2425(4) 0.20605(10) 0.71470(10) 0.0559(10) Uani 1.0 4 d . . .
O5 O 0.2105(9) 0.52625(12) 0.37674(19) 0.118(3) Uani 1.0 4 d . . .
O6 O 0.2595(8) 0.53228(11) 0.56107(19) 0.112(3) Uani 1.0 4 d . . .
O7 O 0.1245(5) -0.01837(7) 0.44843(12) 0.0585(10) Uani 1.0 4 d . . .
O8 O 0.5467(5) 0.00913(9) 0.59905(14) 0.0696(12) Uani 1.0 4 d . . .
O201 O 0.5924 0.0428 0.3453 0.206(5) Uiso 1.0 4 d . . .
O202 O 0.6238 0.0706 0.3919 0.160(4) Uiso 1.0 4 d . . .
O203 O 0.5816 0.3193 0.3639 0.244(7) Uiso 1.0 4 d . . .
O204 O 0.4605 0.3565 0.3312 0.243(8) Uiso 1.0 4 d . . .
N1 N -0.0646(5) 0.32958(10) 0.26451(12) 0.0513(11) Uani 1.0 4 d . . .
N2 N -0.5341(5) 0.19803(10) 0.32879(11) 0.0451(9) Uani 1.0 4 d . . .
N3 N 0.6553(5) 0.32419(10) 0.72761(12) 0.0511(11) Uani 1.0 4 d . . .
N4 N 1.1272(5) 0.19720(10) 0.66141(11) 0.0474(10) Uani 1.0 4 d . . .
N5 N 0.2388(8) 0.47272(12) 0.37416(18) 0.0825(19) Uani 1.0 4 d . . .
N6 N 0.1931(9) 0.48136(11) 0.57025(19) 0.089(2) Uani 1.0 4 d . . .
N7 N 0.1005(5) 0.03505(8) 0.43809(12) 0.0472(10) Uani 1.0 4 d . . .
N8 N 0.5958(5) 0.06034(9) 0.58541(12) 0.0479(10) Uani 1.0 4 d . . .
C1 C 0.3713(5) 0.27483(11) 0.44790(12) 0.0386(10) Uani 1.0 4 d . . .
C2 C 0.4539(6) 0.29905(11) 0.46500(12) 0.0418(10) Uani 1.0 4 d . . .
C3 C 0.5540(6) 0.29041(11) 0.49105(13) 0.0435(11) Uani 1.0 4 d . . .
C4 C 0.5749(5) 0.25902(11) 0.50108(12) 0.0399(10) Uani 1.0 4 d . . .
C5 C 0.4912(5) 0.23469(10) 0.48430(12) 0.0373(10) Uani 1.0 4 d . . .
C6 C 0.3916(5) 0.24323(10) 0.45754(12) 0.0379(10) Uani 1.0 4 d . . .
C7 C 0.2737(5) 0.28319(11) 0.41966(12) 0.0406(10) Uani 1.0 4 d . . .
C8 C 0.1985(6) 0.29077(11) 0.39445(13) 0.0427(11) Uani 1.0 4 d . . .
C9 C 0.1249(5) 0.30041(11) 0.36245(13) 0.0406(10) Uani 1.0 4 d . . .
C10 C 0.1855(6) 0.29258(12) 0.32872(14) 0.0469(11) Uani 1.0 4 d . . .
C11 C 0.1231(6) 0.30215(13) 0.29704(14) 0.0497(12) Uani 1.0 4 d . . .
C12 C -0.0041(6) 0.31949(11) 0.29782(14) 0.0460(11) Uani 1.0 4 d . . .
C13 C -0.0648(7) 0.32742(15) 0.33089(16) 0.0610(15) Uani 1.0 4 d . . .
C14 C -0.0008(7) 0.31767(15) 0.36263(15) 0.0618(15) Uani 1.0 4 d . . .
C15 C 0.0160(8) 0.35346(14) 0.24261(17) 0.0661(16) Uani 1.0 4 d . . .
C16 C -0.0226(11) 0.38686(18) 0.2529(3) 0.100(3) Uani 1.0 4 d . . .
C17 C 0.0505(14) 0.4105(3) 0.2285(4) 0.129(4) Uani 1.0 4 d . . .
C18 C 0.001(2) 0.4447(3) 0.2343(5) 0.178(8) Uani 1.0 4 d . . .
C19 C -0.1990(6) 0.32150(12) 0.25180(14) 0.0512(13) Uani 1.0 4 d . . .
C20 C -0.2815(6) 0.29446(12) 0.26868(13) 0.0475(12) Uani 1.0 4 d . . .
C21 C -0.4281(6) 0.29456(13) 0.26216(14) 0.0513(12) Uani 1.0 4 d . . .
C22 C -0.5126(6) 0.26989(14) 0.27266(14) 0.0528(13) Uani 1.0 4 d . . .
C23 C -0.4536(5) 0.24296(13) 0.29056(13) 0.0462(11) Uani 1.0 4 d . . .
C24 C -0.3060(5) 0.24275(12) 0.29647(13) 0.0436(11) Uani 1.0 4 d . . .
C25 C -0.2202(5) 0.26810(11) 0.28554(13) 0.0431(11) Uani 1.0 4 d . . .
C26 C -0.5530(5) 0.21660(13) 0.29855(12) 0.0465(11) Uani 1.0 4 d . . .
C27 C -0.6293(6) 0.17007(13) 0.33478(15) 0.0543(13) Uani 1.0 4 d . . .
C28 C -0.7208(7) 0.17427(14) 0.36826(15) 0.0589(14) Uani 1.0 4 d . . .
C29 C -0.8192(7) 0.20351(16) 0.36865(18) 0.0667(16) Uani 1.0 4 d . . .
C30 C -0.9284(7) 0.20537(18) 0.3389(2) 0.0750(18) Uani 1.0 4 d . . .
C31 C -0.4366(5) 0.20561(11) 0.35672(12) 0.0382(10) Uani 1.0 4 d . . .
C32 C -0.3353(6) 0.18268(11) 0.36759(14) 0.0475(12) Uani 1.0 4 d . . .
C33 C -0.2393(6) 0.18971(11) 0.39460(14) 0.0480(12) Uani 1.0 4 d . . .
C34 C -0.2392(5) 0.21964(11) 0.41131(12) 0.0398(10) Uani 1.0 4 d . . .
C35 C -0.3405(6) 0.24207(11) 0.40012(13) 0.0433(11) Uani 1.0 4 d . . .
C36 C -0.4378(5) 0.23505(11) 0.37365(13) 0.0437(11) Uani 1.0 4 d . . .
C37 C -0.1391(6) 0.22742(11) 0.43911(13) 0.0431(11) Uani 1.0 4 d . . .
C38 C -0.0569(5) 0.23502(11) 0.46284(12) 0.0405(10) Uani 1.0 4 d . . .
C39 C 0.0403(5) 0.24504(10) 0.48995(12) 0.0376(10) Uani 1.0 4 d . . .
C40 C 0.1208(5) 0.22231(10) 0.51017(11) 0.0356(9) Uani 1.0 4 d . . .
C41 C 0.2146(5) 0.23328(10) 0.53635(12) 0.0363(9) Uani 1.0 4 d . . .
C42 C 0.2340(5) 0.26585(10) 0.54344(11) 0.0354(9) Uani 1.0 4 d . . .
C43 C 0.1541(5) 0.28830(10) 0.52320(12) 0.0373(10) Uani 1.0 4 d . . .
C44 C 0.0576(5) 0.27739(10) 0.49737(12) 0.0389(10) Uani 1.0 4 d . . .
C45 C 0.3283(5) 0.27602(10) 0.57134(12) 0.0400(10) Uani 1.0 4 d . . .
C46 C 0.4027(5) 0.28425(10) 0.59661(12) 0.0403(10) Uani 1.0 4 d . . .
C47 C 0.4753(6) 0.29349(10) 0.62887(12) 0.0410(10) Uani 1.0 4 d . . .
C48 C 0.4078(6) 0.28783(13) 0.66214(14) 0.0490(12) Uani 1.0 4 d . . .
C49 C 0.4682(6) 0.29757(13) 0.69401(14) 0.0504(12) Uani 1.0 4 d . . .
C50 C 0.5974(6) 0.31382(11) 0.69377(13) 0.0447(11) Uani 1.0 4 d . . .
C51 C 0.6658(6) 0.31940(12) 0.66132(15) 0.0498(12) Uani 1.0 4 d . . .
C52 C 0.6054(6) 0.30872(12) 0.62957(14) 0.0494(12) Uani 1.0 4 d . . .
C53 C 0.5691 0.3476 0.7476 0.0631(15) Uani 1.0 4 d . . .
C54 C 0.5860 0.3808 0.7331 0.109(4) Uani 1.0 4 d . . .
C55 C 0.4910(15) 0.4034(3) 0.7537(4) 0.133(4) Uiso 1.0 4 d . . .
C56 C 0.540(3) 0.4399(7) 0.7431(8) 0.244(11) Uiso 1.0 4 d . . .
C57 C 0.7851(7) 0.31669(12) 0.74068(15) 0.0522(13) Uani 1.0 4 d . . .
C58 C 0.8709(6) 0.29006(12) 0.72493(13) 0.0473(11) Uani 1.0 4 d . . .
C59 C 0.8127(5) 0.26277(11) 0.70817(13) 0.0425(11) Uani 1.0 4 d . . .
C60 C 0.8990(5) 0.23812(11) 0.69749(13) 0.0423(10) Uani 1.0 4 d . . .
C61 C 1.0463(6) 0.23968(12) 0.70264(13) 0.0465(11) Uani 1.0 4 d . . .
C62 C 1.1035(6) 0.26616(13) 0.72042(13) 0.0482(12) Uani 1.0 4 d . . .
C63 C 1.0186(6) 0.29148(13) 0.73107(15) 0.0539(13) Uani 1.0 4 d . . .
C64 C 1.1468(6) 0.21350(13) 0.69316(13) 0.0485(12) Uani 1.0 4 d . . .
C65 C 1.2144(6) 0.16839(13) 0.65456(15) 0.0536(13) Uani 1.0 4 d . . .
C66 C 1.3106(7) 0.17188(13) 0.62213(16) 0.0584(14) Uani 1.0 4 d . . .
C67 C 1.4176 0.1988 0.6223 0.0701(17) Uani 1.0 4 d . . .
C68 C 1.5277 0.1981 0.6527 0.095(3) Uani 1.0 4 d . . .
C69 C 1.0343(5) 0.20816(12) 0.63304(13) 0.0432(11) Uani 1.0 4 d . . .
C70 C 0.9337(7) 0.18773(12) 0.61793(16) 0.0551(13) Uani 1.0 4 d . . .
C71 C 0.8441(7) 0.19809(13) 0.59110(15) 0.0542(13) Uani 1.0 4 d . . .
C72 C 0.8483(6) 0.23013(12) 0.57942(13) 0.0452(11) Uani 1.0 4 d . . .
C73 C 0.9491(6) 0.25053(12) 0.59518(14) 0.0473(11) Uani 1.0 4 d . . .
C74 C 1.0429(6) 0.23918(12) 0.62098(14) 0.0468(11) Uani 1.0 4 d . . .
C75 C 0.7533(6) 0.24120(12) 0.55233(13) 0.0459(11) Uani 1.0 4 d . . .
C76 C 0.6726(6) 0.25036(12) 0.52867(13) 0.0446(11) Uani 1.0 4 d . . .
C77 C 0.4344(6) 0.33186(11) 0.45387(14) 0.0496(12) Uani 1.0 4 d . . .
C78 C 0.4094(7) 0.35729(12) 0.44226(16) 0.0578(14) Uani 1.0 4 d . . .
C79 C 0.3677(7) 0.38747(11) 0.42550(16) 0.0566(14) Uani 1.0 4 d . . .
C80 C 0.2435(8) 0.38783(12) 0.40470(19) 0.0685(17) Uani 1.0 4 d . . .
C81 C 0.2011(9) 0.41609(13) 0.3881(2) 0.076(2) Uani 1.0 4 d . . .
C82 C 0.2835(9) 0.44314(13) 0.39149(19) 0.0714(19) Uani 1.0 4 d . . .
C83 C 0.4081(8) 0.44253(12) 0.41076(18) 0.0647(16) Uani 1.0 4 d . . .
C84 C 0.4507(7) 0.41460(12) 0.42867(18) 0.0604(15) Uani 1.0 4 d . . .
C85 C 0.2212(13) 0.47298(18) 0.3352(3) 0.100(3) Uani 1.0 4 d . . .
C86 C 0.3710(18) 0.4747(3) 0.3154(4) 0.138(5) Uani 1.0 4 d . . .
C87 C 0.3624 0.4740 0.2751 0.167(7) Uani 1.0 4 d . . .
C88 C 0.5180 0.4702 0.2597 0.258(14) Uani 1.0 4 d . . .
C89 C 0.2271(9) 0.50129(14) 0.3923(3) 0.084(3) Uani 1.0 4 d . . .
C90 C 0.2320(8) 0.50005(13) 0.4325(3) 0.075(2) Uani 1.0 4 d . . .
C91 C 0.1419(8) 0.47983(12) 0.4522(3) 0.0704(18) Uani 1.0 4 d . . .
C92 C 0.1398(7) 0.48056(12) 0.4894(3) 0.0701(19) Uani 1.0 4 d . . .
C93 C 0.2331(8) 0.50152(12) 0.5080(2) 0.0694(18) Uani 1.0 4 d . . .
C94 C 0.3185(9) 0.52149(14) 0.4881(3) 0.087(3) Uani 1.0 4 d . . .
C95 C 0.3191(9) 0.52112(13) 0.4503(3) 0.087(3) Uani 1.0 4 d . . .
C96 C 0.2314(10) 0.50526(14) 0.5486(3) 0.089(3) Uani 1.0 4 d . . .
C97 C 0.1649(15) 0.4880(3) 0.6091(3) 0.119(4) Uani 1.0 4 d . . .
C98 C 0.298(3) 0.4816(4) 0.6317(4) 0.175(7) Uani 1.0 4 d . . .
C99 C 0.2631 0.4892 0.6735 0.341(19) Uiso 1.0 4 d . . .
C100 C 0.1133 0.4630 0.6922 0.308(15) Uiso 1.0 4 d . . .
C101 C 0.1883(8) 0.44815(13) 0.5603(2) 0.0721(18) Uani 1.0 4 d . . .
C102 C 0.3055(8) 0.43403(14) 0.5426(3) 0.0748(19) Uani 1.0 4 d . . .
C103 C 0.2990(7) 0.40215(12) 0.5338(2) 0.0665(17) Uani 1.0 4 d . . .
C104 C 0.1817(7) 0.38382(11) 0.54292(17) 0.0561(14) Uani 1.0 4 d . . .
C105 C 0.0678(8) 0.39783(13) 0.5603(2) 0.0708(18) Uani 1.0 4 d . . .
C106 C 0.0699(9) 0.43015(15) 0.5683(3) 0.0773(19) Uani 1.0 4 d . . .
C107 C 0.1767(6) 0.34970(11) 0.53535(15) 0.0504(12) Uani 1.0 4 d . . .
C108 C 0.1691(6) 0.32173(11) 0.52998(13) 0.0453(11) Uani 1.0 4 d . . .
C109 C 0.1082(5) 0.18929(10) 0.50171(12) 0.0402(10) Uani 1.0 4 d . . .
C110 C 0.1009(6) 0.16168(10) 0.49259(13) 0.0419(10) Uani 1.0 4 d . . .
C111 C 0.0989(6) 0.12954(10) 0.47917(13) 0.0417(11) Uani 1.0 4 d . . .
C112 C 0.1452(10) 0.12282(12) 0.44525(16) 0.075(2) Uani 1.0 4 d . . .
C113 C 0.1505(10) 0.09204(13) 0.43154(16) 0.078(3) Uani 1.0 4 d . . .
C114 C 0.1027(6) 0.06683(10) 0.45250(14) 0.0451(11) Uani 1.0 4 d . . .
C115 C 0.0496(6) 0.07330(11) 0.48634(14) 0.0459(11) Uani 1.0 4 d . . .
C116 C 0.0487(6) 0.10422(11) 0.49987(15) 0.0479(12) Uani 1.0 4 d . . .
C117 C 0.0303 0.0290 0.4032 0.0568(14) Uani 1.0 4 d . . .
C118 C 0.1383 0.0273 0.3722 0.0634(15) Uani 1.0 4 d . . .
C119 C 0.0704 0.0170 0.3371 0.086(3) Uani 1.0 4 d . . .
C120 C 0.1839 0.0162 0.3070 0.116(4) Uani 1.0 4 d . . .
C121 C 0.1547(6) 0.00932(10) 0.45745(15) 0.0480(12) Uani 1.0 4 d . . .
C122 C 0.2519(6) 0.01623(10) 0.48774(15) 0.0458(12) Uani 1.0 4 d . . .
C123 C 0.3733(6) 0.03495(10) 0.48345(14) 0.0457(11) Uani 1.0 4 d . . .
C124 C 0.4644(5) 0.04081(10) 0.51189(14) 0.0428(11) Uani 1.0 4 d . . .
C125 C 0.4367(6) 0.02782(10) 0.54619(15) 0.0448(11) Uani 1.0 4 d . . .
C126 C 0.3177(6) 0.00759(11) 0.54975(15) 0.0489(12) Uani 1.0 4 d . . .
C127 C 0.2270(6) 0.00221(10) 0.52138(15) 0.0466(11) Uani 1.0 4 d . . .
C128 C 0.5303(6) 0.03195(11) 0.57877(17) 0.0523(13) Uani 1.0 4 d . . .
C129 C 0.6898 0.0627 0.6165 0.0717(18) Uani 1.0 4 d . . .
C130 C 0.6274 0.0667 0.6517 0.117(4) Uani 1.0 4 d . . .
C131 C 0.5620 0.0933 0.6567 0.159(6) Uani 1.0 4 d . . .
C132 C 0.5123 0.1069 0.6984 0.179(7) Uani 1.0 4 d . . .
C133 C 0.5736(6) 0.08906(10) 0.56470(14) 0.0436(11) Uani 1.0 4 d . . .
C134 C 0.6895(5) 0.10380(11) 0.54907(15) 0.0464(11) Uani 1.0 4 d . . .
C135 C 0.6736(6) 0.13236(11) 0.53051(15) 0.0473(12) Uani 1.0 4 d . . .
C136 C 0.5371(5) 0.14601(10) 0.52659(13) 0.0410(10) Uani 1.0 4 d . . .
C137 C 0.4218(5) 0.13042(10) 0.54146(13) 0.0418(10) Uani 1.0 4 d . . .
C138 C 0.4396(5) 0.10240(10) 0.56130(14) 0.0433(11) Uani 1.0 4 d . . .
C139 C 0.5208(6) 0.17597(11) 0.50872(14) 0.0437(11) Uani 1.0 4 d . . .
C140 C 0.5062(5) 0.20228(11) 0.49580(13) 0.0414(10) Uani 1.0 4 d . . .
C141 C 0.9157(11) -0.0621(3) 0.3987(6) 0.157(7) Uani 1.0 4 d . . .
C142 C 0.969(2) 0.1122(4) 0.3065(5) 0.182(8) Uani 1.0 4 d . . .
C143 C -0.1500 0.3880 0.4680 0.23(2) Uiso 0.5000 4 d . . .
C144 C -0.3239 0.3998 0.6133 0.195(14) Uiso 0.5000 4 d . . .
C145 C 1.1789 0.3555 0.6384 0.170(6) Uiso 1.0 4 d . . .
C201 C 0.4335 0.0850 0.3613 0.187(7) Uiso 1.0 4 d . . .
C202 C 0.540(3) 0.0657(5) 0.3638(6) 0.181(7) Uiso 1.0 4 d . . .
C203 C 0.5628 0.0984 0.4123 0.286(14) Uiso 1.0 4 d . . .
C204 C 0.7007 0.1047 0.4387 0.246(11) Uiso 1.0 4 d . . .
C205 C 0.6744 0.3730 0.3673 0.163(6) Uiso 1.0 4 d . . .
C206 C 0.538(4) 0.3513(7) 0.3468(9) 0.257(12) Uiso 1.0 4 d . . .
C207 C 0.4397 0.3770 0.2946 0.303(15) Uiso 1.0 4 d . . .
C208 C 0.3218 0.3827 0.3004 0.185(7) Uiso 1.0 4 d . . .
H3 H 0.6093 0.3064 0.5023 0.0541 Uiso 1.0 4 d . . .
H6 H 0.3372 0.2269 0.4458 0.0458 Uiso 1.0 4 d . . .
H10 H 0.2711 0.2804 0.3283 0.0565 Uiso 1.0 4 d . . .
H11 H 0.1639 0.2966 0.2745 0.0608 Uiso 1.0 4 d . . .
H13 H -0.1495 0.3395 0.3309 0.0723 Uiso 1.0 4 d . . .
H14 H -0.0450 0.3228 0.3849 0.0731 Uiso 1.0 4 d . . .
H21 H -0.4713 0.3123 0.2505 0.0629 Uiso 1.0 4 d . . .
H22 H -0.6113 0.2704 0.2675 0.0645 Uiso 1.0 4 d . . .
H24 H -0.2635 0.2248 0.3078 0.0505 Uiso 1.0 4 d . . .
H25 H -0.1205 0.2681 0.2900 0.0530 Uiso 1.0 4 d . . .
H32 H -0.3360 0.1622 0.3563 0.0558 Uiso 1.0 4 d . . .
H33 H -0.1723 0.1741 0.4023 0.0594 Uiso 1.0 4 d . . .
H35 H -0.3403 0.2630 0.4107 0.0547 Uiso 1.0 4 d . . .
H36 H -0.5069 0.2505 0.3668 0.0521 Uiso 1.0 4 d . . .
H41 H 0.2667 0.2184 0.5505 0.0439 Uiso 1.0 4 d . . .
H44 H 0.0031 0.2925 0.4844 0.0474 Uiso 1.0 4 d . . .
H48 H 0.3177 0.2774 0.6624 0.0595 Uiso 1.0 4 d . . .
H49 H 0.4229 0.2932 0.7163 0.0618 Uiso 1.0 4 d . . .
H51 H 0.7556 0.3297 0.6610 0.0605 Uiso 1.0 4 d . . .
H52 H 0.6598 0.3137 0.6114 0.0430 Uiso 1.0 4 d . . .
H59 H 0.7130 0.2611 0.7046 0.0517 Uiso 1.0 4 d . . .
H60 H 0.8588 0.2199 0.6864 0.0533 Uiso 1.0 4 d . . .
H62 H 1.2026 0.2669 0.7255 0.0582 Uiso 1.0 4 d . . .
H63 H 1.0603 0.3094 0.7425 0.0623 Uiso 1.0 4 d . . .
H70 H 0.9277 0.1663 0.6268 0.0656 Uiso 1.0 4 d . . .
H71 H 0.7777 0.1839 0.5803 0.0683 Uiso 1.0 4 d . . .
H73 H 0.9521 0.2724 0.5885 0.0578 Uiso 1.0 4 d . . .
H74 H 1.1155 0.2526 0.6303 0.0564 Uiso 1.0 4 d . . .
H80 H 0.1894 0.3692 0.4021 0.0833 Uiso 1.0 4 d . . .
H81 H 0.1184 0.4159 0.3741 0.0946 Uiso 1.0 4 d . . .
H83 H 0.4673 0.4611 0.4125 0.0793 Uiso 1.0 4 d . . .
H84 H 0.5345 0.4149 0.4429 0.0741 Uiso 1.0 4 d . . .
H91 H 0.0838 0.4652 0.4393 0.0887 Uiso 1.0 4 d . . .
H92 H 0.0776 0.4673 0.5025 0.0817 Uiso 1.0 4 d . . .
H94 H 0.3827 0.5364 0.4996 0.1033 Uiso 1.0 4 d . . .
H95 H 0.3749 0.5361 0.4384 0.1082 Uiso 1.0 4 d . . .
H102 H 0.3881 0.4464 0.5378 0.0888 Uiso 1.0 4 d . . .
H103 H 0.3766 0.3929 0.5208 0.0813 Uiso 1.0 4 d . . .
H105 H -0.0125 0.3854 0.5671 0.0829 Uiso 1.0 4 d . . .
H106 H -0.0091 0.4404 0.5792 0.0925 Uiso 1.0 4 d . . .
H112 H 0.1751 0.1397 0.4299 0.0887 Uiso 1.0 4 d . . .
H113 H 0.1850 0.0885 0.4084 0.0912 Uiso 1.0 4 d . . .
H115 H 0.0138 0.0565 0.5010 0.0566 Uiso 1.0 4 d . . .
H116 H 0.0136 0.1080 0.5234 0.0569 Uiso 1.0 4 d . . .
H123 H 0.3921 0.0445 0.4606 0.0552 Uiso 1.0 4 d . . .
H124 H 0.5475 0.0533 0.5083 0.0520 Uiso 1.0 4 d . . .
H126 H 0.2997 -0.0024 0.5720 0.0588 Uiso 1.0 4 d . . .
H127 H 0.1461 -0.0112 0.5249 0.0580 Uiso 1.0 4 d . . .
H134 H 0.7815 0.0948 0.5516 0.0575 Uiso 1.0 4 d . . .
H135 H 0.7552 0.1423 0.5203 0.0566 Uiso 1.0 4 d . . .
H137 H 0.3290 0.1387 0.5384 0.0487 Uiso 1.0 4 d . . .
H138 H 0.3601 0.0929 0.5724 0.0531 Uiso 1.0 4 d . . .



#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2013)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Cl1 C141 1.731(10) yes . .
Cl2 C141 1.713(15) yes . .
Cl3 C142 1.73(2) yes . .
Cl4 C142 1.64(2) yes . .
Cl5 C143 1.9500(5) yes . .
Cl6 C143 2.0637(5) yes . .
Cl7 C144 1.3837(4) yes . .
Cl8 C144 1.7627(5) yes . .
Cl9 Cl11 2.180(9) yes . .
Cl9 C145 1.594(9) yes . .
Cl10 C145 1.5892(4) yes . .
Cl11 C145 2.2572(7) yes . .
O1 C19 1.229(7) yes . .
O2 C26 1.241(6) yes . .
O3 C57 1.248(8) yes . .
O4 C64 1.240(7) yes . .
O5 C89 1.205(9) yes . .
O6 C96 1.250(9) yes . .
O7 C121 1.240(6) yes . .
O8 C128 1.226(7) yes . .
O201 C202 1.28(2) yes . .
O202 C202 1.32(2) yes . .
O202 C203 1.5037(3) yes . .
O203 C206 1.54(3) yes . .
O204 C206 0.95(4) yes . .
O204 C207 1.6182(4) yes . .
N1 C12 1.422(7) yes . .
N1 C15 1.497(8) yes . .
N1 C19 1.387(8) yes . .
N2 C26 1.376(7) yes . .
N2 C27 1.492(7) yes . .
N2 C31 1.416(6) yes . .
N3 C50 1.434(7) yes . .
N3 C53 1.475(5) yes . .
N3 C57 1.348(8) yes . .
N4 C64 1.373(7) yes . .
N4 C65 1.482(7) yes . .
N4 C69 1.439(7) yes . .
N5 C82 1.458(9) yes . .
N5 C85 1.454(12) yes . .
N5 C89 1.378(9) yes . .
N6 C96 1.334(10) yes . .
N6 C97 1.494(13) yes . .
N6 C101 1.440(8) yes . .
N7 C114 1.435(6) yes . .
N7 C117 1.472(5) yes . .
N7 C121 1.391(7) yes . .
N8 C128 1.361(7) yes . .
N8 C129 1.453(5) yes . .
N8 C133 1.443(6) yes . .
C1 C2 1.425(7) yes . .
C1 C6 1.385(7) yes . .
C1 C7 1.433(7) yes . .
C2 C3 1.393(7) yes . .
C2 C77 1.447(7) yes . .
C3 C4 1.381(7) yes . .
C4 C5 1.429(7) yes . .
C4 C76 1.419(7) yes . .
C5 C6 1.407(7) yes . .
C5 C140 1.431(7) yes . .
C7 C8 1.212(7) yes . .
C8 C9 1.430(7) yes . .
C9 C10 1.416(7) yes . .
C9 C14 1.385(8) yes . .
C10 C11 1.371(8) yes . .
C11 C12 1.400(8) yes . .
C12 C13 1.396(8) yes . .
C13 C14 1.382(9) yes . .
C15 C16 1.496(10) yes . .
C16 C17 1.510(16) yes . .
C17 C18 1.524(16) yes . .
C19 C20 1.511(8) yes . .
C20 C21 1.397(8) yes . .
C20 C25 1.393(7) yes . .
C21 C22 1.362(8) yes . .
C22 C23 1.421(8) yes . .
C23 C24 1.403(7) yes . .
C23 C26 1.478(8) yes . .
C24 C25 1.395(7) yes . .
C27 C28 1.524(8) yes . .
C28 C29 1.535(9) yes . .
C29 C30 1.505(10) yes . .
C31 C32 1.410(7) yes . .
C31 C36 1.385(7) yes . .
C32 C33 1.377(8) yes . .
C33 C34 1.399(7) yes . .
C34 C35 1.400(7) yes . .
C34 C37 1.430(7) yes . .
C35 C36 1.371(7) yes . .
C37 C38 1.211(7) yes . .
C38 C39 1.419(7) yes . .
C39 C40 1.427(6) yes . .
C39 C44 1.393(6) yes . .
C40 C41 1.387(7) yes . .
C40 C109 1.424(6) yes . .
C41 C42 1.402(6) yes . .
C42 C43 1.417(6) yes . .
C42 C45 1.425(7) yes . .
C43 C44 1.394(7) yes . .
C43 C108 1.430(7) yes . .
C45 C46 1.217(7) yes . .
C46 C47 1.428(7) yes . .
C47 C48 1.411(7) yes . .
C47 C52 1.379(8) yes . .
C48 C49 1.372(8) yes . .
C49 C50 1.392(8) yes . .
C50 C51 1.387(8) yes . .
C51 C52 1.380(8) yes . .
C53 C54 1.5007(4) yes . .
C54 C55 1.514(14) yes . .
C55 C56 1.64(3) yes . .
C57 C58 1.497(8) yes . .
C58 C59 1.411(7) yes . .
C58 C63 1.406(8) yes . .
C59 C60 1.373(7) yes . .
C60 C61 1.398(7) yes . .
C61 C62 1.397(8) yes . .
C61 C64 1.491(8) yes . .
C62 C63 1.386(8) yes . .
C65 C66 1.515(9) yes . .
C66 C67 1.512(6) yes . .
C67 C68 1.5267(4) yes . .
C69 C70 1.392(8) yes . .
C69 C74 1.377(8) yes . .
C70 C71 1.371(9) yes . .
C71 C72 1.412(8) yes . .
C72 C73 1.402(7) yes . .
C72 C75 1.419(7) yes . .
C73 C74 1.383(8) yes . .
C75 C76 1.220(7) yes . .
C77 C78 1.173(7) yes . .
C78 C79 1.462(8) yes . .
C79 C80 1.396(10) yes . .
C79 C84 1.384(8) yes . .
C80 C81 1.392(9) yes . .
C81 C82 1.378(9) yes . .
C82 C83 1.369(11) yes . .
C83 C84 1.403(8) yes . .
C85 C86 1.59(2) yes . .
C86 C87 1.499(13) yes . .
C87 C88 1.5803(5) yes . .
C89 C90 1.493(13) yes . .
C90 C91 1.405(10) yes . .
C90 C95 1.371(11) yes . .
C91 C92 1.382(12) yes . .
C92 C93 1.417(10) yes . .
C93 C94 1.376(11) yes . .
C93 C96 1.516(13) yes . .
C94 C95 1.403(15) yes . .
C97 C98 1.52(3) yes . .
C98 C99 1.617(16) yes . .
C99 C100 1.9189(4) yes . .
C101 C102 1.416(11) yes . .
C101 C106 1.377(11) yes . .
C102 C103 1.377(8) yes . .
C103 C104 1.386(9) yes . .
C104 C105 1.383(10) yes . .
C104 C107 1.458(7) yes . .
C105 C106 1.387(9) yes . .
C107 C108 1.191(7) yes . .
C109 C110 1.207(6) yes . .
C110 C111 1.436(6) yes . .
C111 C112 1.363(8) yes . .
C111 C116 1.394(7) yes . .
C112 C113 1.388(8) yes . .
C113 C114 1.388(8) yes . .
C114 C115 1.380(8) yes . .
C115 C116 1.390(7) yes . .
C117 C118 1.5390(4) yes . .
C118 C119 1.5105(4) yes . .
C119 C120 1.5481(4) yes . .
C121 C122 1.474(8) yes . .
C122 C123 1.395(7) yes . .
C122 C127 1.400(8) yes . .
C123 C124 1.377(8) yes . .
C124 C125 1.409(8) yes . .
C125 C126 1.410(7) yes . .
C125 C128 1.502(8) yes . .
C126 C127 1.370(8) yes . .
C129 C130 1.4437(4) yes . .
C130 C131 1.2869(3) yes . .
C131 C132 1.7155(5) yes . .
C133 C134 1.382(7) yes . .
C133 C138 1.383(7) yes . .
C134 C135 1.389(7) yes . .
C135 C136 1.412(7) yes . .
C136 C137 1.382(7) yes . .
C136 C139 1.428(7) yes . .
C137 C138 1.396(7) yes . .
C139 C140 1.210(7) yes . .
C201 C202 1.29(2) yes . .
C203 C204 1.6421(4) yes . .
C205 C206 1.75(4) yes . .
C207 C208 1.1546(4) yes . .
C3 H3 0.946(5) no . .
C6 H6 0.959(5) no . .
C10 H10 0.954(5) no . .
C11 H11 0.950(6) no . .
C13 H13 0.944(6) no . .
C14 H14 0.951(6) no . .
C21 H21 0.950(6) no . .
C22 H22 0.946(6) no . .
C24 H24 0.950(5) no . .
C25 H25 0.951(5) no . .
C32 H32 0.954(5) no . .
C33 H33 0.952(5) no . .
C35 H35 0.961(5) no . .
C36 H36 0.951(5) no . .
C41 H41 0.951(5) no . .
C44 H44 0.945(5) no . .
C48 H48 0.952(6) no . .
C49 H49 0.949(6) no . .
C51 H51 0.949(6) no . .
C52 H52 0.874(6) no . .
C59 H59 0.948(5) no . .
C60 H60 0.944(5) no . .
C62 H62 0.950(5) no . .
C63 H63 0.945(6) no . .
C70 H70 0.959(6) no . .
C71 H71 0.950(6) no . .
C73 H73 0.951(5) no . .
C74 H74 0.948(5) no . .
C80 H80 0.936(6) no . .
C81 H81 0.932(8) no . .
C83 H83 0.959(6) no . .
C84 H84 0.946(7) no . .
C91 H91 0.950(7) no . .
C92 H92 0.944(7) no . .
C94 H94 0.968(8) no . .
C95 H95 0.930(8) no . .
C102 H102 0.951(7) no . .
C103 H103 0.960(7) no . .
C105 H105 0.953(7) no . .
C106 H106 0.950(8) no . .
C112 H112 0.951(6) no . .
C113 H113 0.930(7) no . .
C115 H115 0.954(5) no . .
C116 H116 0.947(6) no . .
C123 H123 0.956(5) no . .
C124 H124 0.951(5) no . .
C126 H126 0.942(6) no . .
C127 H127 0.955(5) no . .
C134 H134 0.947(5) no . .
C135 H135 0.952(5) no . .
C137 H137 0.945(5) no . .
C138 H138 0.942(5) no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Cl11 Cl9 C145 71.6(4) yes . . .
Cl9 Cl11 C145 42.1(3) yes . . .
C202 O202 C203 106.9(9) yes . . .
C206 O204 C207 136(2) yes . . .
C12 N1 C15 117.9(5) yes . . .
C12 N1 C19 125.6(5) yes . . .
C15 N1 C19 116.2(5) yes . . .
C26 N2 C27 119.4(4) yes . . .
C26 N2 C31 123.4(4) yes . . .
C27 N2 C31 117.0(4) yes . . .
C50 N3 C53 115.8(4) yes . . .
C50 N3 C57 125.7(5) yes . . .
C53 N3 C57 118.2(4) yes . . .
C64 N4 C65 118.7(5) yes . . .
C64 N4 C69 123.2(5) yes . . .
C65 N4 C69 117.9(4) yes . . .
C82 N5 C85 118.4(6) yes . . .
C82 N5 C89 123.2(7) yes . . .
C85 N5 C89 118.0(6) yes . . .
C96 N6 C97 119.3(7) yes . . .
C96 N6 C101 125.5(7) yes . . .
C97 N6 C101 114.9(7) yes . . .
C114 N7 C117 119.5(4) yes . . .
C114 N7 C121 121.5(5) yes . . .
C117 N7 C121 118.8(4) yes . . .
C128 N8 C129 118.4(4) yes . . .
C128 N8 C133 124.7(5) yes . . .
C129 N8 C133 116.9(4) yes . . .
C2 C1 C6 119.5(5) yes . . .
C2 C1 C7 119.8(5) yes . . .
C6 C1 C7 120.6(5) yes . . .
C1 C2 C3 119.2(5) yes . . .
C1 C2 C77 118.8(5) yes . . .
C3 C2 C77 121.9(5) yes . . .
C2 C3 C4 122.0(5) yes . . .
C3 C4 C5 119.0(5) yes . . .
C3 C4 C76 121.9(5) yes . . .
C5 C4 C76 119.0(5) yes . . .
C4 C5 C6 119.3(4) yes . . .
C4 C5 C140 119.6(4) yes . . .
C6 C5 C140 121.1(4) yes . . .
C1 C6 C5 121.0(4) yes . . .
C1 C7 C8 175.8(5) yes . . .
C7 C8 C9 173.3(6) yes . . .
C8 C9 C10 118.2(5) yes . . .
C8 C9 C14 123.6(5) yes . . .
C10 C9 C14 118.2(5) yes . . .
C9 C10 C11 121.2(5) yes . . .
C10 C11 C12 119.7(5) yes . . .
N1 C12 C11 118.3(5) yes . . .
N1 C12 C13 122.0(5) yes . . .
C11 C12 C13 119.7(5) yes . . .
C12 C13 C14 120.0(6) yes . . .
C9 C14 C13 121.2(6) yes . . .
N1 C15 C16 111.3(6) yes . . .
C15 C16 C17 110.4(9) yes . . .
C16 C17 C18 113.1(12) yes . . .
O1 C19 N1 119.8(5) yes . . .
O1 C19 C20 119.4(5) yes . . .
N1 C19 C20 120.7(5) yes . . .
C19 C20 C21 115.7(5) yes . . .
C19 C20 C25 124.7(5) yes . . .
C21 C20 C25 119.0(5) yes . . .
C20 C21 C22 121.6(5) yes . . .
C21 C22 C23 120.6(5) yes . . .
C22 C23 C24 117.5(5) yes . . .
C22 C23 C26 116.2(5) yes . . .
C24 C23 C26 126.1(5) yes . . .
C23 C24 C25 121.5(5) yes . . .
C20 C25 C24 119.7(5) yes . . .
O2 C26 N2 120.3(5) yes . . .
O2 C26 C23 119.2(5) yes . . .
N2 C26 C23 120.5(4) yes . . .
N2 C27 C28 111.8(5) yes . . .
C27 C28 C29 116.2(5) yes . . .
C28 C29 C30 116.3(6) yes . . .
N2 C31 C32 119.3(5) yes . . .
N2 C31 C36 121.7(5) yes . . .
C32 C31 C36 119.0(5) yes . . .
C31 C32 C33 120.1(5) yes . . .
C32 C33 C34 120.9(5) yes . . .
C33 C34 C35 118.1(5) yes . . .
C33 C34 C37 121.5(5) yes . . .
C35 C34 C37 120.3(5) yes . . .
C34 C35 C36 121.3(5) yes . . .
C31 C36 C35 120.6(5) yes . . .
C34 C37 C38 177.7(5) yes . . .
C37 C38 C39 177.8(5) yes . . .
C38 C39 C40 120.8(4) yes . . .
C38 C39 C44 120.2(4) yes . . .
C40 C39 C44 119.0(4) yes . . .
C39 C40 C41 118.7(4) yes . . .
C39 C40 C109 119.3(4) yes . . .
C41 C40 C109 121.9(4) yes . . .
C40 C41 C42 122.4(4) yes . . .
C41 C42 C43 118.6(4) yes . . .
C41 C42 C45 120.5(4) yes . . .
C43 C42 C45 120.8(4) yes . . .
C42 C43 C44 119.2(4) yes . . .
C42 C43 C108 120.4(4) yes . . .
C44 C43 C108 120.4(4) yes . . .
C39 C44 C43 122.0(4) yes . . .
C42 C45 C46 176.2(5) yes . . .
C45 C46 C47 173.2(5) yes . . .
C46 C47 C48 118.2(5) yes . . .
C46 C47 C52 124.1(5) yes . . .
C48 C47 C52 117.6(5) yes . . .
C47 C48 C49 121.2(5) yes . . .
C48 C49 C50 119.9(5) yes . . .
N3 C50 C49 118.1(5) yes . . .
N3 C50 C51 122.2(5) yes . . .
C49 C50 C51 119.7(5) yes . . .
C50 C51 C52 119.7(5) yes . . .
C47 C52 C51 121.8(5) yes . . .
N3 C53 C54 112.16(17) yes . . .
C53 C54 C55 109.6(5) yes . . .
C54 C55 C56 107.2(13) yes . . .
O3 C57 N3 120.3(5) yes . . .
O3 C57 C58 118.1(5) yes . . .
N3 C57 C58 121.4(5) yes . . .
C57 C58 C59 124.6(5) yes . . .
C57 C58 C63 116.0(5) yes . . .
C59 C58 C63 119.1(5) yes . . .
C58 C59 C60 120.6(5) yes . . .
C59 C60 C61 120.7(5) yes . . .
C60 C61 C62 118.7(5) yes . . .
C60 C61 C64 124.2(5) yes . . .
C62 C61 C64 116.9(5) yes . . .
C61 C62 C63 121.5(5) yes . . .
C58 C63 C62 119.3(5) yes . . .
O4 C64 N4 121.4(5) yes . . .
O4 C64 C61 119.5(5) yes . . .
N4 C64 C61 119.0(5) yes . . .
N4 C65 C66 112.9(5) yes . . .
C65 C66 C67 117.9(5) yes . . .
C66 C67 C68 116.0(3) yes . . .
N4 C69 C70 120.4(5) yes . . .
N4 C69 C74 120.2(5) yes . . .
C70 C69 C74 119.4(5) yes . . .
C69 C70 C71 120.8(5) yes . . .
C70 C71 C72 120.4(5) yes . . .
C71 C72 C73 118.1(5) yes . . .
C71 C72 C75 120.7(5) yes . . .
C73 C72 C75 121.2(5) yes . . .
C72 C73 C74 120.4(5) yes . . .
C69 C74 C73 120.8(5) yes . . .
C72 C75 C76 179.0(6) yes . . .
C4 C76 C75 176.3(6) yes . . .
C2 C77 C78 173.2(6) yes . . .
C77 C78 C79 174.3(7) yes . . .
C78 C79 C80 117.8(5) yes . . .
C78 C79 C84 121.7(6) yes . . .
C80 C79 C84 120.5(5) yes . . .
C79 C80 C81 119.4(6) yes . . .
C80 C81 C82 120.0(7) yes . . .
N5 C82 C81 119.9(7) yes . . .
N5 C82 C83 119.4(6) yes . . .
C81 C82 C83 120.7(6) yes . . .
C82 C83 C84 120.3(6) yes . . .
C79 C84 C83 119.1(6) yes . . .
N5 C85 C86 111.2(9) yes . . .
C85 C86 C87 114.5(11) yes . . .
C86 C87 C88 108.5(7) yes . . .
O5 C89 N5 122.0(8) yes . . .
O5 C89 C90 120.8(7) yes . . .
N5 C89 C90 117.1(6) yes . . .
C89 C90 C91 121.6(7) yes . . .
C89 C90 C95 118.3(7) yes . . .
C91 C90 C95 119.9(8) yes . . .
C90 C91 C92 121.1(7) yes . . .
C91 C92 C93 119.2(6) yes . . .
C92 C93 C94 118.5(8) yes . . .
C92 C93 C96 122.6(7) yes . . .
C94 C93 C96 118.6(7) yes . . .
C93 C94 C95 122.3(7) yes . . .
C90 C95 C94 118.9(8) yes . . .
O6 C96 N6 121.0(9) yes . . .
O6 C96 C93 117.2(7) yes . . .
N6 C96 C93 121.6(6) yes . . .
N6 C97 C98 110.5(11) yes . . .
C97 C98 C99 108.9(13) yes . . .
C98 C99 C100 112.6(7) yes . . .
N6 C101 C102 119.9(7) yes . . .
N6 C101 C106 120.0(7) yes . . .
C102 C101 C106 120.1(6) yes . . .
C101 C102 C103 118.8(6) yes . . .
C102 C103 C104 121.0(6) yes . . .
C103 C104 C105 119.7(5) yes . . .
C103 C104 C107 121.4(6) yes . . .
C105 C104 C107 118.8(5) yes . . .
C104 C105 C106 120.2(7) yes . . .
C101 C106 C105 120.0(7) yes . . .
C104 C107 C108 177.8(6) yes . . .
C43 C108 C107 177.7(6) yes . . .
C40 C109 C110 176.2(5) yes . . .
C109 C110 C111 175.3(5) yes . . .
C110 C111 C112 120.7(5) yes . . .
C110 C111 C116 121.8(5) yes . . .
C112 C111 C116 117.5(5) yes . . .
C111 C112 C113 122.9(6) yes . . .
C112 C113 C114 119.3(6) yes . . .
N7 C114 C113 120.1(5) yes . . .
N7 C114 C115 121.1(5) yes . . .
C113 C114 C115 118.7(5) yes . . .
C114 C115 C116 121.0(5) yes . . .
C111 C116 C115 120.6(5) yes . . .
N7 C117 C118 111.77(18) yes . . .
C117 C118 C119 112.34(3) yes . . .
C118 C119 C120 109.78(3) yes . . .
O7 C121 N7 120.2(5) yes . . .
O7 C121 C122 122.0(5) yes . . .
N7 C121 C122 117.8(4) yes . . .
C121 C122 C123 121.9(5) yes . . .
C121 C122 C127 119.5(5) yes . . .
C123 C122 C127 118.5(5) yes . . .
C122 C123 C124 121.2(5) yes . . .
C123 C124 C125 120.4(5) yes . . .
C124 C125 C126 117.8(5) yes . . .
C124 C125 C128 124.9(5) yes . . .
C126 C125 C128 117.1(5) yes . . .
C125 C126 C127 121.2(5) yes . . .
C122 C127 C126 120.7(5) yes . . .
O8 C128 N8 121.0(6) yes . . .
O8 C128 C125 118.4(5) yes . . .
N8 C128 C125 120.6(5) yes . . .
N8 C129 C130 118.56(18) yes . . .
C129 C130 C131 115.290(6) yes . . .
C130 C131 C132 123.367(5) yes . . .
N8 C133 C134 118.9(5) yes . . .
N8 C133 C138 121.0(5) yes . . .
C134 C133 C138 120.0(5) yes . . .
C133 C134 C135 120.7(5) yes . . .
C134 C135 C136 119.7(5) yes . . .
C135 C136 C137 118.7(5) yes . . .
C135 C136 C139 120.0(5) yes . . .
C137 C136 C139 121.2(5) yes . . .
C136 C137 C138 121.1(5) yes . . .
C133 C138 C137 119.7(5) yes . . .
C136 C139 C140 175.7(6) yes . . .
C5 C140 C139 173.9(6) yes . . .
Cl1 C141 Cl2 115.2(8) yes . . .
Cl3 C142 Cl4 104.5(11) yes . . .
Cl5 C143 Cl6 92.272(9) yes . . .
Cl7 C144 Cl8 106.277(9) yes . . .
Cl9 C145 Cl10 114.0(4) yes . . .
Cl9 C145 Cl11 66.4(4) yes . . .
Cl10 C145 Cl11 79.312(10) yes . . .
O201 C202 O202 108.0(15) yes . . .
O201 C202 C201 137.2(17) yes . . .
O202 C202 C201 114.8(15) yes . . .
O202 C203 C204 97.044(16) yes . . .
O203 C206 O204 131(3) yes . . .
O203 C206 C205 94.5(18) yes . . .
O204 C206 C205 135(3) yes . . .
O204 C207 C208 93.755(8) yes . . .
C2 C3 H3 119.4(5) no . . .
C4 C3 H3 118.6(5) no . . .
C1 C6 H6 119.5(5) no . . .
C5 C6 H6 119.4(4) no . . .
C9 C10 H10 118.8(5) no . . .
C11 C10 H10 120.0(5) no . . .
C10 C11 H11 120.7(6) no . . .
C12 C11 H11 119.5(5) no . . .
C12 C13 H13 118.6(6) no . . .
C14 C13 H13 121.4(6) no . . .
C9 C14 H14 119.8(6) no . . .
C13 C14 H14 119.0(7) no . . .
C20 C21 H21 120.0(6) no . . .
C22 C21 H21 118.4(6) no . . .
C21 C22 H22 119.9(6) no . . .
C23 C22 H22 119.4(6) no . . .
C23 C24 H24 119.2(5) no . . .
C25 C24 H24 119.3(5) no . . .
C20 C25 H25 119.0(5) no . . .
C24 C25 H25 121.2(5) no . . .
C31 C32 H32 118.9(5) no . . .
C33 C32 H32 121.0(5) no . . .
C32 C33 H33 120.0(5) no . . .
C34 C33 H33 119.1(5) no . . .
C34 C35 H35 119.4(5) no . . .
C36 C35 H35 119.3(5) no . . .
C31 C36 H36 119.5(5) no . . .
C35 C36 H36 119.8(5) no . . .
C40 C41 H41 119.6(4) no . . .
C42 C41 H41 118.0(5) no . . .
C39 C44 H44 119.2(5) no . . .
C43 C44 H44 118.8(5) no . . .
C47 C48 H48 119.4(5) no . . .
C49 C48 H48 119.4(6) no . . .
C48 C49 H49 120.5(6) no . . .
C50 C49 H49 119.6(5) no . . .
C50 C51 H51 120.4(6) no . . .
C52 C51 H51 119.9(6) no . . .
C47 C52 H52 128.2(6) no . . .
C51 C52 H52 110.0(6) no . . .
C58 C59 H59 120.1(5) no . . .
C60 C59 H59 119.3(5) no . . .
C59 C60 H60 119.9(5) no . . .
C61 C60 H60 119.4(5) no . . .
C61 C62 H62 119.5(5) no . . .
C63 C62 H62 119.0(6) no . . .
C58 C63 H63 120.9(6) no . . .
C62 C63 H63 119.8(6) no . . .
C69 C70 H70 118.7(6) no . . .
C71 C70 H70 120.6(6) no . . .
C70 C71 H71 120.4(6) no . . .
C72 C71 H71 119.1(6) no . . .
C72 C73 H73 120.1(5) no . . .
C74 C73 H73 119.5(5) no . . .
C69 C74 H74 119.0(5) no . . .
C73 C74 H74 120.3(5) no . . .
C79 C80 H80 120.0(6) no . . .
C81 C80 H80 120.6(8) no . . .
C80 C81 H81 118.5(6) no . . .
C82 C81 H81 121.5(7) no . . .
C82 C83 H83 121.0(6) no . . .
C84 C83 H83 118.7(7) no . . .
C79 C84 H84 121.7(6) no . . .
C83 C84 H84 119.2(6) no . . .
C90 C91 H91 118.4(8) no . . .
C92 C91 H91 120.4(7) no . . .
C91 C92 H92 120.9(7) no . . .
C93 C92 H92 119.9(8) no . . .
C93 C94 H94 121.5(10) no . . .
C95 C94 H94 116.3(8) no . . .
C90 C95 H95 122.8(10) no . . .
C94 C95 H95 118.2(8) no . . .
C101 C102 H102 119.8(6) no . . .
C103 C102 H102 121.3(7) no . . .
C102 C103 H103 118.7(6) no . . .
C104 C103 H103 120.4(5) no . . .
C104 C105 H105 120.4(6) no . . .
C106 C105 H105 119.3(7) no . . .
C101 C106 H106 118.5(7) no . . .
C105 C106 H106 121.5(8) no . . .
C111 C112 H112 119.7(5) no . . .
C113 C112 H112 117.4(6) no . . .
C112 C113 H113 120.0(6) no . . .
C114 C113 H113 120.6(6) no . . .
C114 C115 H115 120.2(5) no . . .
C116 C115 H115 118.8(5) no . . .
C111 C116 H116 120.2(5) no . . .
C115 C116 H116 119.3(5) no . . .
C122 C123 H123 119.5(5) no . . .
C124 C123 H123 119.2(5) no . . .
C123 C124 H124 119.9(5) no . . .
C125 C124 H124 119.7(5) no . . .
C125 C126 H126 119.7(6) no . . .
C127 C126 H126 119.1(5) no . . .
C122 C127 H127 120.4(6) no . . .
C126 C127 H127 118.9(6) no . . .
C133 C134 H134 120.1(5) no . . .
C135 C134 H134 119.2(5) no . . .
C134 C135 H135 119.3(5) no . . .
C136 C135 H135 121.0(5) no . . .
C136 C137 H137 120.2(5) no . . .
C138 C137 H137 118.7(5) no . . .
C133 C138 H138 120.9(5) no . . .
C137 C138 H138 119.4(5) no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cl11 Cl9 C145 Cl10 65.4(3) no . . . .
Cl11 Cl9 C145 Cl11 0.0 no . . . .
C145 Cl9 Cl11 C145 0.0 no . . . .
Cl9 Cl11 C145 Cl9 0.0(4) no . . . .
Cl9 Cl11 C145 Cl10 -122.3(4) no . . . .
C202 O202 C203 C204 -167.5(9) no . . . .
C203 O202 C202 O201 177.9(10) no . . . .
C203 O202 C202 C201 0.1(16) no . . . .
C206 O204 C207 C208 -153(3) no . . . .
C207 O204 C206 O203 -135(3) no . . . .
C207 O204 C206 C205 48(5) no . . . .
C12 N1 C15 C16 -88.8(6) no . . . .
C15 N1 C12 C11 -65.6(6) no . . . .
C15 N1 C12 C13 111.9(5) no . . . .
C12 N1 C19 O1 169.1(5) no . . . .
C12 N1 C19 C20 -14.7(8) no . . . .
C19 N1 C12 C11 120.7(5) no . . . .
C19 N1 C12 C13 -61.7(7) no . . . .
C15 N1 C19 O1 -4.6(7) no . . . .
C15 N1 C19 C20 171.5(4) no . . . .
C19 N1 C15 C16 85.5(6) no . . . .
C26 N2 C27 C28 -115.3(5) no . . . .
C27 N2 C26 O2 2.6(7) no . . . .
C27 N2 C26 C23 -175.4(4) no . . . .
C26 N2 C31 C32 -126.5(5) no . . . .
C26 N2 C31 C36 53.3(7) no . . . .
C31 N2 C26 O2 -171.4(4) no . . . .
C31 N2 C26 C23 10.6(7) no . . . .
C27 N2 C31 C32 59.4(6) no . . . .
C27 N2 C31 C36 -120.7(5) no . . . .
C31 N2 C27 C28 59.1(6) no . . . .
C50 N3 C53 C54 -79.2(4) no . . . .
C53 N3 C50 C49 -62.8(5) no . . . .
C53 N3 C50 C51 117.4(5) no . . . .
C50 N3 C57 O3 169.0(5) no . . . .
C50 N3 C57 C58 -14.9(8) no . . . .
C57 N3 C50 C49 123.6(5) no . . . .
C57 N3 C50 C51 -56.2(7) no . . . .
C53 N3 C57 O3 -4.4(7) no . . . .
C53 N3 C57 C58 171.6(4) no . . . .
C57 N3 C53 C54 94.9(4) no . . . .
C64 N4 C65 C66 -117.1(5) no . . . .
C65 N4 C64 O4 5.5(7) no . . . .
C65 N4 C64 C61 -171.5(4) no . . . .
C64 N4 C69 C70 -129.9(5) no . . . .
C64 N4 C69 C74 49.1(7) no . . . .
C69 N4 C64 O4 -169.2(5) no . . . .
C69 N4 C64 C61 13.8(7) no . . . .
C65 N4 C69 C70 55.4(6) no . . . .
C65 N4 C69 C74 -125.6(5) no . . . .
C69 N4 C65 C66 57.9(6) no . . . .
C82 N5 C85 C86 -77.0(8) no . . . .
C85 N5 C82 C81 -59.8(10) no . . . .
C85 N5 C82 C83 119.6(8) no . . . .
C82 N5 C89 O5 168.8(7) no . . . .
C82 N5 C89 C90 -12.7(11) no . . . .
C89 N5 C82 C81 127.4(8) no . . . .
C89 N5 C82 C83 -53.2(10) no . . . .
C85 N5 C89 O5 -4.0(13) no . . . .
C85 N5 C89 C90 174.5(7) no . . . .
C89 N5 C85 C86 96.2(8) no . . . .
C96 N6 C97 C98 -94.8(9) no . . . .
C97 N6 C96 O6 8.1(13) no . . . .
C97 N6 C96 C93 -167.7(8) no . . . .
C96 N6 C101 C102 48.4(12) no . . . .
C96 N6 C101 C106 -131.9(9) no . . . .
C101 N6 C96 O6 -165.8(7) no . . . .
C101 N6 C96 C93 18.4(13) no . . . .
C97 N6 C101 C102 -125.7(9) no . . . .
C97 N6 C101 C106 54.0(11) no . . . .
C101 N6 C97 C98 79.7(9) no . . . .
C114 N7 C117 C118 99.3(4) no . . . .
C117 N7 C114 C113 -51.9(6) no . . . .
C117 N7 C114 C115 124.1(4) no . . . .
C114 N7 C121 O7 164.1(5) no . . . .
C114 N7 C121 C122 -18.0(7) no . . . .
C121 N7 C114 C113 132.5(5) no . . . .
C121 N7 C114 C115 -51.5(7) no . . . .
C117 N7 C121 O7 -11.5(7) no . . . .
C117 N7 C121 C122 166.4(4) no . . . .
C121 N7 C117 C118 -85.1(4) no . . . .
C128 N8 C129 C130 -79.0(5) no . . . .
C129 N8 C128 O8 2.1(7) no . . . .
C129 N8 C128 C125 -177.6(4) no . . . .
C128 N8 C133 C134 -123.4(5) no . . . .
C128 N8 C133 C138 58.6(7) no . . . .
C133 N8 C128 O8 -174.8(5) no . . . .
C133 N8 C128 C125 5.6(8) no . . . .
C129 N8 C133 C134 59.7(6) no . . . .
C129 N8 C133 C138 -118.3(4) no . . . .
C133 N8 C129 C130 98.1(4) no . . . .
C2 C1 C6 C5 0.9(7) no . . . .
C6 C1 C2 C3 0.2(7) no . . . .
C6 C1 C2 C77 178.2(4) no . . . .
C7 C1 C2 C3 -176.5(4) no . . . .
C7 C1 C2 C77 1.5(7) no . . . .
C7 C1 C6 C5 177.6(4) no . . . .
C1 C2 C3 C4 -0.5(7) no . . . .
C77 C2 C3 C4 -178.5(4) no . . . .
C2 C3 C4 C5 -0.2(7) no . . . .
C2 C3 C4 C76 -177.3(4) no . . . .
C3 C4 C5 C6 1.2(7) no . . . .
C3 C4 C5 C140 -176.6(4) no . . . .
C76 C4 C5 C6 178.4(4) no . . . .
C76 C4 C5 C140 0.6(7) no . . . .
C4 C5 C6 C1 -1.6(7) no . . . .
C140 C5 C6 C1 176.2(4) no . . . .
C8 C9 C10 C11 -177.5(4) no . . . .
C8 C9 C14 C13 177.5(5) no . . . .
C10 C9 C14 C13 -0.8(8) no . . . .
C14 C9 C10 C11 0.9(7) no . . . .
C9 C10 C11 C12 -1.1(8) no . . . .
C10 C11 C12 N1 178.8(5) no . . . .
C10 C11 C12 C13 1.3(8) no . . . .
N1 C12 C13 C14 -178.7(5) no . . . .
C11 C12 C13 C14 -1.2(8) no . . . .
C12 C13 C14 C9 1.0(9) no . . . .
N1 C15 C16 C17 -175.3(6) no . . . .
C15 C16 C17 C18 172.5(8) no . . . .
O1 C19 C20 C21 -23.1(7) no . . . .
O1 C19 C20 C25 147.9(5) no . . . .
N1 C19 C20 C21 160.7(4) no . . . .
N1 C19 C20 C25 -28.2(8) no . . . .
C19 C20 C21 C22 173.2(4) no . . . .
C19 C20 C25 C24 -172.5(4) no . . . .
C21 C20 C25 C24 -1.7(7) no . . . .
C25 C20 C21 C22 1.6(8) no . . . .
C20 C21 C22 C23 -0.4(8) no . . . .
C21 C22 C23 C24 -0.7(8) no . . . .
C21 C22 C23 C26 -176.0(5) no . . . .
C22 C23 C24 C25 0.6(7) no . . . .
C22 C23 C26 O2 34.1(7) no . . . .
C22 C23 C26 N2 -147.9(5) no . . . .
C24 C23 C26 O2 -140.7(5) no . . . .
C24 C23 C26 N2 37.4(8) no . . . .
C26 C23 C24 C25 175.3(4) no . . . .
C23 C24 C25 C20 0.6(7) no . . . .
N2 C27 C28 C29 59.0(6) no . . . .
C27 C28 C29 C30 60.0(7) no . . . .
N2 C31 C32 C33 179.7(4) no . . . .
N2 C31 C36 C35 -178.7(4) no . . . .
C32 C31 C36 C35 1.2(7) no . . . .
C36 C31 C32 C33 -0.2(7) no . . . .
C31 C32 C33 C34 -0.8(8) no . . . .
C32 C33 C34 C35 0.8(7) no . . . .
C32 C33 C34 C37 -179.3(5) no . . . .
C33 C34 C35 C36 0.3(7) no . . . .
C37 C34 C35 C36 -179.7(4) no . . . .
C34 C35 C36 C31 -1.3(7) no . . . .
C38 C39 C40 C41 179.9(4) no . . . .
C38 C39 C40 C109 3.2(7) no . . . .
C38 C39 C44 C43 -178.6(4) no . . . .
C40 C39 C44 C43 1.9(7) no . . . .
C44 C39 C40 C41 -0.6(6) no . . . .
C44 C39 C40 C109 -177.3(4) no . . . .
C39 C40 C41 C42 -0.5(7) no . . . .
C109 C40 C41 C42 176.1(4) no . . . .
C40 C41 C42 C43 0.3(7) no . . . .
C40 C41 C42 C45 178.1(4) no . . . .
C41 C42 C43 C44 1.0(6) no . . . .
C41 C42 C43 C108 179.0(4) no . . . .
C45 C42 C43 C44 -176.8(4) no . . . .
C45 C42 C43 C108 1.3(7) no . . . .
C42 C43 C44 C39 -2.1(7) no . . . .
C108 C43 C44 C39 179.8(4) no . . . .
C46 C47 C48 C49 -176.7(4) no . . . .
C46 C47 C52 C51 174.8(4) no . . . .
C48 C47 C52 C51 -2.7(7) no . . . .
C52 C47 C48 C49 1.0(7) no . . . .
C47 C48 C49 C50 1.1(8) no . . . .
C48 C49 C50 N3 178.6(5) no . . . .
C48 C49 C50 C51 -1.5(8) no . . . .
N3 C50 C51 C52 179.7(4) no . . . .
C49 C50 C51 C52 -0.2(7) no . . . .
C50 C51 C52 C47 2.3(8) no . . . .
N3 C53 C54 C55 177.9(2) no . . . .
C53 C54 C55 C56 167.5(5) no . . . .
O3 C57 C58 C59 147.1(5) no . . . .
O3 C57 C58 C63 -26.0(7) no . . . .
N3 C57 C58 C59 -29.0(8) no . . . .
N3 C57 C58 C63 157.9(5) no . . . .
C57 C58 C59 C60 -173.9(5) no . . . .
C57 C58 C63 C62 173.7(5) no . . . .
C59 C58 C63 C62 0.3(8) no . . . .
C63 C58 C59 C60 -1.0(7) no . . . .
C58 C59 C60 C61 -0.7(7) no . . . .
C59 C60 C61 C62 3.0(7) no . . . .
C59 C60 C61 C64 177.5(4) no . . . .
C60 C61 C62 C63 -3.7(7) no . . . .
C60 C61 C64 O4 -135.6(5) no . . . .
C60 C61 C64 N4 41.5(7) no . . . .
C62 C61 C64 O4 39.0(7) no . . . .
C62 C61 C64 N4 -143.9(5) no . . . .
C64 C61 C62 C63 -178.7(4) no . . . .
C61 C62 C63 C58 2.1(8) no . . . .
N4 C65 C66 C67 58.7(6) no . . . .
C65 C66 C67 C68 60.7(5) no . . . .
N4 C69 C70 C71 179.5(5) no . . . .
N4 C69 C74 C73 -176.4(4) no . . . .
C70 C69 C74 C73 2.7(8) no . . . .
C74 C69 C70 C71 0.5(8) no . . . .
C69 C70 C71 C72 -2.8(9) no . . . .
C70 C71 C72 C73 2.0(8) no . . . .
C70 C71 C72 C75 -178.3(5) no . . . .
C71 C72 C73 C74 1.1(7) no . . . .
C75 C72 C73 C74 -178.6(4) no . . . .
C72 C73 C74 C69 -3.4(8) no . . . .
C78 C79 C80 C81 -179.5(5) no . . . .
C78 C79 C84 C83 177.4(5) no . . . .
C80 C79 C84 C83 0.2(9) no . . . .
C84 C79 C80 C81 -2.2(10) no . . . .
C79 C80 C81 C82 1.7(11) no . . . .
C80 C81 C82 N5 -179.9(6) no . . . .
C80 C81 C82 C83 0.7(11) no . . . .
N5 C82 C83 C84 177.8(6) no . . . .
C81 C82 C83 C84 -2.7(11) no . . . .
C82 C83 C84 C79 2.3(10) no . . . .
N5 C85 C86 C87 178.2(6) no . . . .
C85 C86 C87 C88 -171.0(6) no . . . .
O5 C89 C90 C91 125.8(8) no . . . .
O5 C89 C90 C95 -48.9(11) no . . . .
N5 C89 C90 C91 -52.7(10) no . . . .
N5 C89 C90 C95 132.5(7) no . . . .
C89 C90 C91 C92 -175.2(6) no . . . .
C89 C90 C95 C94 176.3(6) no . . . .
C91 C90 C95 C94 1.5(10) no . . . .
C95 C90 C91 C92 -0.5(10) no . . . .
C90 C91 C92 C93 -1.6(9) no . . . .
C91 C92 C93 C94 2.7(9) no . . . .
C91 C92 C93 C96 176.2(5) no . . . .
C92 C93 C94 C95 -1.8(10) no . . . .
C92 C93 C96 O6 -146.3(7) no . . . .
C92 C93 C96 N6 29.7(11) no . . . .
C94 C93 C96 O6 27.2(10) no . . . .
C94 C93 C96 N6 -156.9(7) no . . . .
C96 C93 C94 C95 -175.5(6) no . . . .
C93 C94 C95 C90 -0.3(11) no . . . .
N6 C97 C98 C99 179.7(8) no . . . .
C97 C98 C99 C100 60.8(12) no . . . .
N6 C101 C102 C103 179.2(7) no . . . .
N6 C101 C106 C105 -176.9(7) no . . . .
C102 C101 C106 C105 2.8(12) no . . . .
C106 C101 C102 C103 -0.5(12) no . . . .
C101 C102 C103 C104 -1.7(11) no . . . .
C102 C103 C104 C105 1.6(10) no . . . .
C102 C103 C104 C107 -176.9(6) no . . . .
C103 C104 C105 C106 0.7(10) no . . . .
C107 C104 C105 C106 179.3(6) no . . . .
C104 C105 C106 C101 -2.9(11) no . . . .
C110 C111 C112 C113 177.5(6) no . . . .
C110 C111 C116 C115 -179.2(4) no . . . .
C112 C111 C116 C115 1.5(8) no . . . .
C116 C111 C112 C113 -3.3(10) no . . . .
C111 C112 C113 C114 2.2(13) no . . . .
C112 C113 C114 N7 176.8(7) no . . . .
C112 C113 C114 C115 0.7(11) no . . . .
N7 C114 C115 C116 -178.4(4) no . . . .
C113 C114 C115 C116 -2.4(8) no . . . .
C114 C115 C116 C111 1.3(8) no . . . .
N7 C117 C118 C119 172.75(15) no . . . .
C117 C118 C119 C120 179.3 no . . . .
O7 C121 C122 C123 123.9(6) no . . . .
O7 C121 C122 C127 -52.3(7) no . . . .
N7 C121 C122 C123 -53.9(7) no . . . .
N7 C121 C122 C127 129.9(5) no . . . .
C121 C122 C123 C124 -179.0(4) no . . . .
C121 C122 C127 C126 178.4(4) no . . . .
C123 C122 C127 C126 2.0(7) no . . . .
C127 C122 C123 C124 -2.8(7) no . . . .
C122 C123 C124 C125 0.2(7) no . . . .
C123 C124 C125 C126 3.0(7) no . . . .
C123 C124 C125 C128 178.4(4) no . . . .
C124 C125 C126 C127 -3.8(7) no . . . .
C124 C125 C128 O8 -140.9(5) no . . . .
C124 C125 C128 N8 38.7(7) no . . . .
C126 C125 C128 O8 34.5(7) no . . . .
C126 C125 C128 N8 -145.9(5) no . . . .
C128 C125 C126 C127 -179.5(4) no . . . .
C125 C126 C127 C122 1.3(7) no . . . .
N8 C129 C130 C131 -66.25(17) no . . . .
C129 C130 C131 C132 -166.0 no . . . .
N8 C133 C134 C135 -176.6(4) no . . . .
N8 C133 C138 C137 179.2(4) no . . . .
C134 C133 C138 C137 1.2(7) no . . . .
C138 C133 C134 C135 1.4(8) no . . . .
C133 C134 C135 C136 -2.0(8) no . . . .
C134 C135 C136 C137 -0.0(7) no . . . .
C134 C135 C136 C139 177.6(5) no . . . .
C135 C136 C137 C138 2.6(7) no . . . .
C139 C136 C137 C138 -175.0(4) no . . . .
C136 C137 C138 C133 -3.3(7) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
O1 C12 3.590(7) no . .
O1 C15 2.674(9) no . .
O1 C16 3.194(11) no . .
O1 C21 2.766(7) no . .
O2 C22 2.804(8) no . .
O2 C24 3.581(7) no . .
O2 C27 2.744(7) no . .
O2 C30 3.482(9) no . .
O2 C31 3.576(6) no . .
O3 C50 3.591(7) no . .
O3 C53 2.685(5) no . .
O3 C54 3.380(5) no . .
O3 C63 2.758(8) no . .
O4 C60 3.552(6) no . .
O4 C62 2.846(7) no . .
O4 C65 2.745(7) no . .
O4 C68 3.555(4) no . .
O4 C69 3.600(6) no . .
O5 C82 3.592(8) no . .
O5 C85 2.715(10) no . .
O5 C86 3.486(15) no . .
O5 C91 3.471(10) no . .
O5 C95 2.917(13) no . .
O6 C94 2.802(13) no . .
O6 C97 2.726(13) no . .
O6 C98 3.391(18) no . .
O6 C101 3.589(8) no . .
O7 C114 3.580(6) no . .
O7 C117 2.744(4) no . .
O7 C118 3.418(4) no . .
O7 C123 3.482(6) no . .
O7 C127 2.996(7) no . .
O8 C124 3.577(8) no . .
O8 C126 2.819(8) no . .
O8 C129 2.694(4) no . .
O8 C130 3.193(5) no . .
O8 C133 3.593(6) no . .
O201 C203 3.4180(7) no . .
N1 C25 3.065(7) no . .
N2 C24 3.093(7) no . .
N2 C29 3.075(8) no . .
N3 C59 3.057(7) no . .
N4 C60 3.059(7) no . .
N4 C67 3.097(5) no . .
N5 C91 3.053(11) no . .
N5 C95 3.556(11) no . .
N6 C92 3.038(11) no . .
N7 C123 3.061(7) no . .
N7 C127 3.581(7) no . .
N8 C124 3.099(7) no . .
N8 C131 3.002(5) no . .
C1 C4 2.821(7) no . .
C1 C43 3.513(7) no . .
C1 C44 3.481(7) no . .
C1 C78 3.481(7) no . .
C2 C5 2.812(7) no . .
C2 C8 3.560(7) no . .
C2 C43 3.586(7) no . .
C3 C6 2.787(7) no . .
C3 C75 3.591(7) no . .
C3 C78 3.600(8) no . .
C4 C42 3.586(7) no . .
C4 C45 3.567(7) no . .
C4 C139 3.529(7) no . .
C5 C41 3.245(7) no . .
C5 C42 3.522(7) no . .
C5 C75 3.529(7) no . .
C6 C8 3.564(7) no . .
C6 C39 3.519(7) no . .
C6 C40 3.332(7) no . .
C6 C41 3.396(7) no . .
C7 C10 3.493(7) no . .
C7 C44 3.542(7) no . .
C7 C77 2.835(7) no . .
C7 C78 3.459(7) no . .
C8 C77 3.563(7) no . .
C9 C12 2.798(7) no . .
C10 C13 2.770(8) no . .
C11 C14 2.780(8) no . .
C11 C15 3.114(9) no . .
C11 C19 3.548(8) no . .
C11 C25 3.552(7) no . .
C12 C16 3.283(10) no . .
C12 C20 3.006(8) no . .
C12 C25 2.994(7) no . .
C13 C15 3.538(9) no . .
C13 C19 3.198(8) no . .
C13 C20 3.367(8) no . .
C13 C25 3.335(8) no . .
C16 C19 3.202(10) no . .
C20 C23 2.819(8) no . .
C21 C24 2.764(8) no . .
C22 C25 2.788(7) no . .
C23 C31 2.915(7) no . .
C23 C36 3.103(7) no . .
C24 C31 2.991(7) no . .
C24 C36 3.141(7) no . .
C26 C28 3.516(8) no . .
C26 C32 3.566(7) no . .
C26 C36 3.083(7) no . .
C27 C30 3.180(9) no . .
C27 C32 3.060(8) no . .
C27 C36 3.565(8) no . .
C28 C31 3.009(8) no . .
C31 C34 2.802(7) no . .
C32 C35 2.767(7) no . .
C33 C36 2.772(7) no . .
C33 C38 3.593(7) no . .
C35 C38 3.542(7) no . .
C37 C40 3.591(7) no . .
C37 C44 3.527(7) no . .
C38 C109 2.853(7) no . .
C38 C110 3.585(7) no . .
C39 C42 2.825(7) no . .
C39 C110 3.541(6) no . .
C40 C43 2.825(6) no . .
C41 C44 2.769(7) no . .
C41 C46 3.557(7) no . .
C41 C110 3.573(7) no . .
C41 C140 3.390(7) no . .
C42 C107 3.568(7) no . .
C43 C46 3.584(7) no . .
C44 C107 3.523(7) no . .
C45 C48 3.482(7) no . .
C45 C108 2.871(7) no . .
C47 C50 2.795(7) no . .
C48 C51 2.763(8) no . .
C49 C52 2.761(8) no . .
C49 C53 3.038(6) no . .
C49 C57 3.530(8) no . .
C49 C59 3.587(8) no . .
C50 C54 3.166(5) no . .
C50 C58 2.985(8) no . .
C50 C59 2.991(7) no . .
C51 C53 3.535(6) no . .
C51 C57 3.148(8) no . .
C51 C58 3.279(8) no . .
C51 C59 3.246(7) no . .
C54 C57 3.285(6) no . .
C58 C61 2.805(8) no . .
C59 C62 2.771(7) no . .
C60 C63 2.794(8) no . .
C60 C69 2.990(7) no . .
C60 C74 3.150(7) no . .
C61 C69 2.902(7) no . .
C61 C74 3.030(8) no . .
C64 C66 3.520(8) no . .
C64 C70 3.594(8) no . .
C64 C74 3.043(8) no . .
C65 C68 3.198(6) no . .
C65 C70 3.071(9) no . .
C65 C74 3.596(8) no . .
C66 C69 3.037(8) no . .
C69 C72 2.798(7) no . .
C70 C73 2.768(8) no . .
C71 C74 2.769(8) no . .
C71 C76 3.568(8) no . .
C73 C76 3.575(7) no . .
C75 C140 3.523(7) no . .
C76 C139 3.506(7) no . .
C76 C140 2.824(7) no . .
C77 C80 3.467(8) no . .
C77 C84 3.595(7) no . .
C79 C82 2.766(8) no . .
C80 C83 2.774(9) no . .
C81 C84 2.782(11) no . .
C81 C85 3.095(11) no . .
C81 C89 3.583(8) no . .
C82 C86 3.225(15) no . .
C82 C90 2.872(9) no . .
C82 C91 3.038(10) no . .
C83 C85 3.539(12) no . .
C83 C89 3.069(10) no . .
C83 C90 3.035(9) no . .
C83 C91 3.332(10) no . .
C86 C89 3.353(16) no . .
C90 C93 2.801(12) no . .
C91 C94 2.750(11) no . .
C92 C95 2.803(11) no . .
C92 C101 2.994(11) no . .
C92 C102 3.176(10) no . .
C93 C101 2.993(10) no . .
C93 C102 3.179(9) no . .
C96 C98 3.295(19) no . .
C96 C102 3.074(9) no . .
C96 C106 3.571(10) no . .
C97 C100 3.293(11) no . .
C97 C106 2.993(13) no . .
C98 C101 3.164(18) no . .
C101 C104 2.773(8) no . .
C102 C105 2.781(10) no . .
C103 C106 2.770(10) no . .
C103 C108 3.587(7) no . .
C105 C108 3.515(8) no . .
C109 C112 3.504(7) no . .
C111 C114 2.809(7) no . .
C112 C115 2.730(8) no . .
C113 C116 2.761(9) no . .
C113 C117 3.058(7) no . .
C113 C118 3.496(6) no . .
C113 C121 3.598(7) no . .
C114 C118 3.427(5) no . .
C114 C122 2.856(7) no . .
C114 C123 3.090(7) no . .
C115 C121 3.054(7) no . .
C115 C122 3.055(7) no . .
C115 C123 3.442(7) no . .
C118 C121 3.254(6) no . .
C122 C125 2.814(8) no . .
C123 C126 2.766(8) no . .
C124 C127 2.779(7) no . .
C124 C133 2.994(7) no . .
C124 C138 3.175(7) no . .
C125 C133 2.950(7) no . .
C125 C138 3.176(6) no . .
C128 C130 3.202(6) no . .
C128 C134 3.540(7) no . .
C128 C138 3.140(7) no . .
C129 C134 3.037(6) no . .
C129 C138 3.528(5) no . .
C130 C133 3.397(6) no . .
C131 C133 3.420(6) no . .
C133 C136 2.795(7) no . .
C134 C137 2.765(7) no . .
C135 C138 2.783(7) no . .
C135 C140 3.564(7) no . .
C137 C140 3.547(7) no . .
C201 C203 2.3126(5) no . .
C202 C204 3.55(2) no . .
C205 C207 3.4807(8) no . .
C206 C208 2.96(4) no . .
Cl3 O202 3.492(6) no . .
Cl4 C27 3.596(9) no . 1_755
Cl4 C201 3.477(9) no . 1_655
Cl6 Cl7 2.5021(7) no . .
Cl7 Cl6 2.5021(7) no . .
Cl11 C51 3.527(6) no . .
Cl11 C144 3.2368(8) no . 1_655
O1 C60 3.532(7) no . 4_454
O1 C132 3.449(5) no . 4_454
O2 C49 3.307(7) no . 4_454
O2 C53 3.394(5) no . 4_454
O2 C62 3.258(7) no . 4_354
O2 C63 3.535(7) no . 4_354
O3 C24 3.517(7) no . 4_655
O3 C142 3.063(18) no . 4_555
O4 C11 3.277(7) no . 4_655
O4 C15 3.441(8) no . 4_655
O4 C21 3.554(7) no . 4_755
O4 C22 3.300(7) no . 4_755
O5 C144 3.298(6) no . 3_566
O6 C83 3.455(11) no . 3_666
O6 C84 3.537(9) no . 3_666
O7 O8 3.584(7) no . 3_656
O7 N8 3.407(6) no . 3_656
O7 C127 3.558(7) no . 3_556
O7 C128 3.449(7) no . 3_656
O7 C129 3.513(4) no . 3_656
O7 C141 3.252(15) no . 1_455
O8 O7 3.584(7) no . 3_656
O8 O201 3.276(5) no . 3_656
O8 C118 3.493(5) no . 3_656
O8 C121 3.594(8) no . 3_656
O8 C202 3.52(2) no . 3_656
O201 O8 3.276(5) no . 3_656
O202 Cl3 3.492(6) no . .
O203 C13 3.562(6) no . 1_655
O203 C35 3.580(5) no . 1_655
O203 C36 3.556(5) no . 1_655
N8 O7 3.407(6) no . 3_656
C1 C35 3.522(7) no . 1_655
C5 C35 3.521(7) no . 1_655
C6 C35 3.306(7) no . 1_655
C6 C36 3.524(7) no . 1_655
C11 O4 3.277(7) no . 4_454
C13 O203 3.562(6) no . 1_455
C13 C205 3.393(7) no . 1_455
C15 O4 3.441(8) no . 4_454
C15 C64 3.574(8) no . 4_454
C19 C60 3.342(7) no . 4_454
C20 C59 3.405(7) no . 4_454
C20 C60 3.429(7) no . 4_454
C21 O4 3.554(7) no . 4_354
C22 O4 3.300(7) no . 4_354
C24 O3 3.517(7) no . 4_454
C24 C57 3.353(8) no . 4_454
C24 C58 3.426(7) no . 4_454
C24 C59 3.473(7) no . 4_454
C25 C58 3.428(7) no . 4_454
C25 C59 3.165(7) no . 4_454
C25 C60 3.468(7) no . 4_454
C26 C53 3.485(6) no . 4_454
C27 Cl4 3.596(9) no . 1_355
C35 O203 3.580(5) no . 1_455
C35 C1 3.522(7) no . 1_455
C35 C5 3.521(7) no . 1_455
C35 C6 3.306(7) no . 1_455
C36 O203 3.556(5) no . 1_455
C36 C6 3.524(7) no . 1_455
C38 C76 3.591(7) no . 1_455
C39 C75 3.565(7) no . 1_455
C41 C73 3.400(7) no . 1_455
C41 C74 3.545(7) no . 1_455
C42 C73 3.363(7) no . 1_455
C42 C74 3.577(7) no . 1_455
C49 O2 3.307(7) no . 4_655
C51 Cl11 3.527(6) no . .
C53 O2 3.394(5) no . 4_655
C53 C26 3.485(6) no . 4_655
C57 C24 3.353(8) no . 4_655
C58 C24 3.426(7) no . 4_655
C58 C25 3.428(7) no . 4_655
C59 C20 3.405(7) no . 4_655
C59 C24 3.473(7) no . 4_655
C59 C25 3.165(7) no . 4_655
C60 O1 3.532(7) no . 4_655
C60 C19 3.342(7) no . 4_655
C60 C20 3.429(7) no . 4_655
C60 C25 3.468(7) no . 4_655
C62 O2 3.258(7) no . 4_755
C63 O2 3.535(7) no . 4_755
C64 C15 3.574(8) no . 4_655
C73 C41 3.400(7) no . 1_655
C73 C42 3.363(7) no . 1_655
C74 C41 3.545(7) no . 1_655
C74 C42 3.577(7) no . 1_655
C75 C39 3.565(7) no . 1_655
C76 C38 3.591(7) no . 1_655
C83 O6 3.455(11) no . 3_666
C84 O6 3.537(9) no . 3_666
C84 C205 3.561(7) no . .
C91 C96 3.563(11) no . 3_566
C92 C92 3.193(9) no . 3_566
C92 C93 3.586(10) no . 3_566
C93 C92 3.586(10) no . 3_566
C96 C91 3.563(11) no . 3_566
C105 C145 3.547(8) no . 1_455
C118 O8 3.493(5) no . 3_656
C121 O8 3.594(8) no . 3_656
C122 C124 3.581(7) no . 3_656
C123 C124 3.526(7) no . 3_656
C123 C125 3.367(7) no . 3_656
C124 C122 3.581(7) no . 3_656
C124 C123 3.526(7) no . 3_656
C124 C124 3.596(7) no . 3_656
C125 C123 3.367(7) no . 3_656
C127 O7 3.558(7) no . 3_556
C128 O7 3.449(7) no . 3_656
C129 O7 3.513(4) no . 3_656
C132 O1 3.449(5) no . 4_655
C141 O7 3.252(15) no . 1_655
C142 O3 3.063(18) no . 4_554
C144 Cl11 3.2368(8) no . 1_455
C144 O5 3.298(6) no . 3_566
C145 C105 3.547(8) no . 1_655
C201 Cl4 3.477(9) no . 1_455
C202 O8 3.52(2) no . 3_656
C205 C13 3.393(7) no . 1_655
C205 C84 3.561(7) no . .
O1 H21 2.490(5) no . .
O2 H22 2.549(5) no . .
O3 H63 2.497(5) no . .
O4 H62 2.607(5) no . .
O5 H95 2.785(8) no . .
O6 H94 2.567(8) no . .
O7 H127 2.860(5) no . .
O8 H126 2.571(5) no . .
N1 H11 2.578(5) no . .
N1 H13 2.627(5) no . .
N1 H25 2.797(5) no . .
N2 H24 2.889(5) no . .
N2 H32 2.596(5) no . .
N2 H36 2.625(5) no . .
N3 H49 2.573(5) no . .
N3 H51 2.661(5) no . .
N3 H59 2.831(5) no . .
N4 H60 2.854(5) no . .
N4 H70 2.611(5) no . .
N4 H74 2.595(5) no . .
N5 H81 2.635(6) no . .
N5 H83 2.616(7) no . .
N5 H91 2.845(7) no . .
N6 H92 2.795(7) no . .
N6 H102 2.642(7) no . .
N6 H106 2.583(7) no . .
N7 H113 2.620(4) no . .
N7 H115 2.633(5) no . .
N7 H123 2.889(5) no . .
N8 H124 2.910(5) no . .
N8 H134 2.593(5) no . .
N8 H138 2.645(5) no . .
C1 H3 3.286(5) no . .
C2 H6 3.294(5) no . .
C4 H6 3.312(5) no . .
C5 H3 3.273(5) no . .
C5 H41 3.317(5) no . .
C7 H6 2.618(5) no . .
C7 H10 3.391(5) no . .
C7 H44 3.526(5) no . .
C8 H6 3.531(5) no . .
C8 H10 2.587(5) no . .
C8 H14 2.674(5) no . .
C8 H80 3.301(5) no . .
C9 H11 3.289(5) no . .
C9 H13 3.267(5) no . .
C9 H80 3.293(5) no . .
C10 H14 3.268(6) no . .
C10 H25 3.369(5) no . .
C11 H13 3.260(6) no . .
C11 H25 2.710(6) no . .
C12 H10 3.260(5) no . .
C12 H14 3.258(6) no . .
C12 H25 2.434(5) no . .
C13 H11 3.272(6) no . .
C13 H25 2.959(7) no . .
C14 H10 3.260(7) no . .
C14 H25 3.580(6) no . .
C14 H80 3.160(7) no . .
C15 H11 2.998(7) no . .
C19 H13 3.065(6) no . .
C19 H21 2.588(6) no . .
C19 H25 2.750(6) no . .
C20 H13 3.227(5) no . .
C20 H22 3.259(6) no . .
C20 H24 3.266(5) no . .
C21 H25 3.260(6) no . .
C22 H24 3.275(6) no . .
C22 H36 3.586(6) no . .
C23 H21 3.268(6) no . .
C23 H25 3.302(5) no . .
C23 H36 2.892(5) no . .
C24 H22 3.270(5) no . .
C24 H36 3.244(5) no . .
C25 H13 3.497(5) no . .
C25 H21 3.265(5) no . .
C26 H22 2.588(6) no . .
C26 H24 2.761(5) no . .
C26 H36 2.934(5) no . .
C27 H32 2.885(6) no . .
C29 H36 3.535(7) no . .
C31 H24 2.572(5) no . .
C31 H33 3.276(5) no . .
C31 H35 3.256(5) no . .
C32 H24 2.916(5) no . .
C32 H36 3.269(5) no . .
C33 H24 3.546(6) no . .
C33 H35 3.271(5) no . .
C34 H32 3.282(5) no . .
C34 H36 3.270(5) no . .
C35 H24 3.579(5) no . .
C35 H33 3.260(5) no . .
C36 H24 2.980(5) no . .
C36 H32 3.264(5) no . .
C37 H33 2.639(5) no . .
C37 H35 2.625(5) no . .
C37 H44 3.466(5) no . .
C38 H33 3.568(5) no . .
C38 H35 3.487(5) no . .
C38 H44 2.598(5) no . .
C39 H6 3.330(5) no . .
C39 H41 3.284(5) no . .
C40 H6 3.151(5) no . .
C40 H44 3.282(5) no . .
C41 H6 3.568(5) no . .
C42 H44 3.273(5) no . .
C43 H41 3.275(5) no . .
C45 H41 2.601(5) no . .
C45 H48 3.383(5) no . .
C46 H41 3.487(5) no . .
C46 H48 2.589(5) no . .
C46 H52 2.766(5) no . .
C47 H49 3.282(5) no . .
C47 H51 3.261(5) no . .
C48 H52 3.221(6) no . .
C48 H59 3.454(6) no . .
C49 H51 3.263(6) no . .
C49 H59 2.788(6) no . .
C50 H48 3.249(5) no . .
C50 H52 3.115(5) no . .
C50 H59 2.494(5) no . .
C51 H49 3.258(6) no . .
C51 H59 2.957(6) no . .
C52 H48 3.247(6) no . .
C52 H59 3.569(6) no . .
C53 H49 2.9006(6) no . .
C57 H51 3.020(6) no . .
C57 H59 2.769(6) no . .
C57 H63 2.605(6) no . .
C58 H51 3.091(5) no . .
C58 H60 3.270(5) no . .
C58 H62 3.265(6) no . .
C59 H51 3.351(5) no . .
C59 H63 3.290(5) no . .
C60 H62 3.262(5) no . .
C60 H74 3.281(5) no . .
C61 H59 3.259(6) no . .
C61 H63 3.276(5) no . .
C61 H74 2.816(5) no . .
C62 H60 3.257(6) no . .
C62 H74 3.393(5) no . .
C63 H59 3.286(6) no . .
C64 H60 2.730(6) no . .
C64 H62 2.590(6) no . .
C64 H74 2.864(5) no . .
C65 H70 2.882(6) no . .
C69 H60 2.628(5) no . .
C69 H71 3.261(5) no . .
C69 H73 3.251(5) no . .
C70 H60 2.963(6) no . .
C70 H74 3.242(6) no . .
C71 H73 3.278(6) no . .
C72 H70 3.285(5) no . .
C72 H74 3.273(5) no . .
C73 H71 3.271(5) no . .
C74 H60 3.093(6) no . .
C74 H70 3.249(5) no . .
C75 H3 3.566(5) no . .
C75 H71 2.628(5) no . .
C75 H73 2.643(5) no . .
C76 H3 2.612(5) no . .
C76 H71 3.521(5) no . .
C76 H73 3.555(5) no . .
C77 H3 2.654(6) no . .
C77 H80 3.377(6) no . .
C78 H80 2.591(7) no . .
C78 H84 2.686(6) no . .
C78 H103 3.288(6) no . .
C79 H81 3.241(6) no . .
C79 H83 3.261(5) no . .
C79 H103 3.542(6) no . .
C80 H84 3.277(7) no . .
C81 H83 3.258(8) no . .
C81 H91 3.012(7) no . .
C82 H80 3.246(6) no . .
C82 H84 3.250(8) no . .
C82 H91 2.748(8) no . .
C83 H81 3.235(7) no . .
C83 H91 3.367(7) no . .
C84 H80 3.255(6) no . .
C85 H81 2.958(9) no . .
C89 H83 2.912(8) no . .
C89 H91 2.677(8) no . .
C89 H95 2.637(8) no . .
C90 H83 2.849(7) no . .
C90 H92 3.283(8) no . .
C90 H94 3.240(8) no . .
C91 H83 3.489(7) no . .
C91 H95 3.259(6) no . .
C92 H94 3.291(6) no . .
C92 H102 3.266(7) no . .
C93 H91 3.279(8) no . .
C93 H95 3.251(8) no . .
C93 H102 2.944(6) no . .
C94 H92 3.253(8) no . .
C95 H83 3.202(8) no . .
C95 H91 3.248(7) no . .
C96 H92 2.743(9) no . .
C96 H94 2.657(9) no . .
C96 H102 2.902(7) no . .
C97 H106 2.805(12) no . .
C101 H92 2.511(8) no . .
C101 H103 3.268(7) no . .
C101 H105 3.249(7) no . .
C102 H92 2.951(7) no . .
C102 H106 3.270(8) no . .
C103 H105 3.259(7) no . .
C104 H102 3.268(6) no . .
C104 H106 3.267(6) no . .
C105 H103 3.265(8) no . .
C106 H92 2.895(8) no . .
C106 H102 3.274(8) no . .
C107 H44 3.459(6) no . .
C107 H103 2.665(6) no . .
C107 H105 2.609(6) no . .
C108 H44 2.604(5) no . .
C108 H103 3.580(5) no . .
C108 H105 3.456(5) no . .
C109 H6 3.386(5) no . .
C109 H41 2.638(5) no . .
C109 H112 3.439(5) no . .
C109 H137 3.260(5) no . .
C110 H41 3.559(5) no . .
C110 H112 2.600(5) no . .
C110 H116 2.657(5) no . .
C110 H137 2.894(5) no . .
C111 H113 3.244(5) no . .
C111 H115 3.269(5) no . .
C111 H137 3.100(5) no . .
C112 H116 3.218(7) no . .
C113 H115 3.248(7) no . .
C113 H123 3.202(8) no . .
C114 H112 3.240(5) no . .
C114 H116 3.257(5) no . .
C114 H123 2.890(5) no . .
C115 H113 3.227(6) no . .
C115 H123 3.571(5) no . .
C116 H112 3.223(6) no . .
C116 H137 3.322(6) no . .
C117 H113 2.8920(6) no . .
C118 H113 2.9273(7) no . .
C121 H115 2.878(5) no . .
C121 H123 2.677(6) no . .
C121 H127 2.648(6) no . .
C122 H115 2.846(5) no . .
C122 H124 3.271(5) no . .
C122 H126 3.251(6) no . .
C123 H115 3.559(6) no . .
C123 H127 3.270(5) no . .
C124 H126 3.268(5) no . .
C124 H138 3.284(5) no . .
C125 H123 3.278(6) no . .
C125 H127 3.276(5) no . .
C125 H138 2.985(5) no . .
C126 H124 3.277(6) no . .
C127 H115 3.121(5) no . .
C127 H123 3.267(6) no . .
C128 H124 2.770(7) no . .
C128 H126 2.613(6) no . .
C128 H138 3.024(5) no . .
C129 H134 2.8926(7) no . .
C133 H124 2.584(5) no . .
C133 H135 3.260(5) no . .
C133 H137 3.247(5) no . .
C134 H124 2.920(5) no . .
C134 H138 3.250(5) no . .
C135 H71 3.002(5) no . .
C135 H137 3.264(5) no . .
C136 H71 3.400(5) no . .
C136 H134 3.274(5) no . .
C136 H138 3.260(5) no . .
C137 H135 3.272(5) no . .
C138 H124 3.024(5) no . .
C138 H134 3.250(5) no . .
C139 H6 3.598(5) no . .
C139 H41 3.362(5) no . .
C139 H71 3.597(5) no . .
C139 H135 2.651(5) no . .
C139 H137 2.630(5) no . .
C140 H6 2.647(5) no . .
C140 H41 3.112(5) no . .
C140 H135 3.551(5) no . .
C140 H137 3.520(5) no . .
H10 H11 2.3339(6) no . .
H11 H25 2.9866(8) no . .
H13 H14 2.3344(6) no . .
H13 H25 3.3693(8) no . .
H14 H80 3.0060(7) no . .
H21 H22 2.2860(5) no . .
H24 H25 2.3540(5) no . .
H24 H32 3.2529(7) no . .
H24 H36 3.3523(7) no . .
H32 H33 2.3453(5) no . .
H35 H36 2.3146(5) no . .
H41 H137 3.4203(9) no . .
H48 H49 2.3208(6) no . .
H49 H59 3.0730(8) no . .
H51 H52 2.1518(5) no . .
H51 H59 3.3271(7) no . .
H52 H73 3.3589(8) no . .
H59 H60 2.3072(5) no . .
H60 H70 3.2202(7) no . .
H60 H74 3.4723(7) no . .
H62 H63 2.3170(5) no . .
H70 H71 2.3407(5) no . .
H71 H135 2.8358(6) no . .
H73 H74 2.3295(5) no . .
H80 H81 2.3136(5) no . .
H81 H91 3.1957(7) no . .
H83 H84 2.3261(5) no . .
H83 H95 3.3992(8) no . .
H84 H103 3.3823(8) no . .
H91 H92 2.3488(7) no . .
H92 H102 3.3098(9) no . .
H92 H106 3.1700(8) no . .
H94 H95 2.2721(7) no . .
H102 H103 2.3328(6) no . .
H105 H106 2.3504(6) no . .
H112 H113 2.2915(6) no . .
H113 H123 3.2993(6) no . .
H115 H116 2.3128(6) no . .
H115 H127 3.2183(7) no . .
H116 H137 3.2778(9) no . .
H123 H124 2.3188(5) no . .
H124 H134 3.2269(6) no . .
H124 H138 3.3970(7) no . .
H126 H127 2.2903(5) no . .
H134 H135 2.3154(5) no . .
H137 H138 2.3133(5) no . .
Cl1 H70 3.071(3) no . 3_756
Cl1 H116 2.901(3) no . 3_656
Cl1 H134 3.159(3) no . 3_756
Cl1 H138 3.090(3) no . 3_656
Cl2 H126 3.203(3) no . 3_656
Cl2 H138 3.179(3) no . 3_656
Cl3 H32 3.251(5) no . 1_655
Cl3 H33 3.456(5) no . 1_655
Cl3 H113 3.449(6) no . 1_655
Cl5 H3 3.1340(6) no . 1_455
Cl5 H14 2.9676(7) no . .
Cl5 H44 2.9340(6) no . .
Cl6 H3 3.3787(8) no . 1_455
Cl6 H84 3.4117(7) no . 1_455
Cl6 H94 3.5706(9) no . 3_566
Cl6 H103 3.2946(11) no . 1_455
Cl6 H105 3.2009(8) no . .
Cl7 H52 3.3792(8) no . 1_455
Cl7 H95 3.2327(8) no . 3_566
Cl7 H103 3.4584(8) no . 1_455
Cl7 H105 3.0448(10) no . .
Cl9 H48 3.352(9) no . 1_655
Cl9 H51 3.037(10) no . .
Cl9 H73 3.086(9) no . .
Cl9 H74 3.207(9) no . .
Cl9 H105 3.562(9) no . 1_655
Cl11 H51 2.6072(6) no . .
Cl11 H105 3.2427(10) no . 1_655
O1 H60 2.913(5) no . 4_454
O2 H10 3.555(5) no . 1_455
O2 H49 2.373(4) no . 4_454
O2 H62 2.531(4) no . 4_354
O2 H63 3.109(4) no . 4_354
O3 H24 2.911(5) no . 4_655
O4 H11 2.344(4) no . 4_655
O4 H21 3.092(4) no . 4_755
O4 H22 2.584(4) no . 4_755
O5 H106 2.870(8) no . 3_566
O6 H83 2.758(8) no . 3_666
O6 H84 2.945(7) no . 3_666
O6 H91 3.227(8) no . 3_566
O7 H115 2.789(4) no . 3_556
O7 H127 3.000(4) no . 3_556
O7 H134 3.325(4) no . 3_656
O8 H123 3.209(5) no . 3_656
O202 H123 3.5323(7) no . .
O202 H126 3.2371(7) no . 3_656
O203 H10 3.5910(8) no . .
O203 H13 2.9366(8) no . 1_655
O203 H14 3.5932(11) no . 1_655
O203 H35 3.0190(6) no . 1_655
O203 H36 3.0045(8) no . 1_655
O204 H21 3.5808(8) no . 1_655
N6 H91 3.451(7) no . 3_566
N7 H127 2.878(5) no . 3_556
C1 H35 3.087(5) no . 1_655
C1 H36 3.381(5) no . 1_655
C2 H35 3.180(5) no . 1_655
C3 H35 3.349(5) no . 1_655
C4 H35 3.453(5) no . 1_655
C5 H35 3.377(5) no . 1_655
C6 H35 3.177(5) no . 1_655
C6 H36 3.516(5) no . 1_655
C7 H36 3.164(5) no . 1_655
C8 H36 3.404(5) no . 1_655
C10 H22 3.116(6) no . 1_655
C11 H22 3.038(6) no . 1_655
C19 H60 3.036(6) no . 4_454
C20 H59 3.327(5) no . 4_454
C20 H60 3.386(5) no . 4_454
C21 H59 3.432(6) no . 4_454
C22 H10 2.936(6) no . 1_455
C22 H11 3.241(6) no . 1_455
C22 H49 3.425(6) no . 4_454
C22 H59 3.550(6) no . 4_454
C22 H62 3.543(6) no . 4_354
C23 H10 3.338(5) no . 1_455
C23 H49 3.349(5) no . 4_454
C23 H59 3.562(5) no . 4_454
C24 H59 3.416(5) no . 4_454
C25 H59 3.299(5) no . 4_454
C26 H10 3.333(6) no . 1_455
C26 H49 3.087(5) no . 4_454
C28 H112 2.882(6) no . 1_455
C29 H6 3.356(7) no . 1_455
C29 H112 3.511(7) no . 1_455
C30 H24 3.446(7) no . 1_455
C30 H33 3.543(8) no . 1_455
C35 H6 3.535(5) no . 1_455
C36 H6 3.434(5) no . 1_455
C41 H73 3.545(5) no . 1_455
C42 H73 3.152(5) no . 1_455
C42 H74 3.460(5) no . 1_455
C43 H73 3.157(5) no . 1_455
C44 H73 3.535(5) no . 1_455
C45 H73 3.599(5) no . 1_455
C45 H74 3.129(5) no . 1_455
C46 H74 3.262(5) no . 1_455
C48 H62 3.170(6) no . 1_455
C48 H74 3.330(6) no . 1_455
C49 H62 3.046(6) no . 1_455
C57 H24 3.071(6) no . 4_655
C58 H24 3.386(5) no . 4_655
C58 H25 3.431(5) no . 4_655
C59 H25 3.357(5) no . 4_655
C60 H25 3.449(5) no . 4_655
C61 H11 3.258(5) no . 4_655
C61 H48 3.357(5) no . 1_655
C62 H11 3.356(6) no . 4_655
C62 H22 3.541(6) no . 4_755
C62 H48 2.990(5) no . 1_655
C62 H49 3.214(6) no . 1_655
C63 H25 3.570(6) no . 4_655
C64 H11 3.050(5) no . 4_655
C64 H48 3.328(6) no . 1_655
C66 H41 3.318(6) no . 1_655
C66 H137 3.408(6) no . 1_655
C67 H41 3.1206(7) no . 1_655
C68 H60 3.4707(9) no . 1_655
C74 H41 3.473(6) no . 1_655
C74 H48 3.402(5) no . 1_655
C89 H106 3.362(8) no . 3_566
C90 H106 3.286(7) no . 3_566
C91 H92 3.467(7) no . 3_566
C92 H92 3.008(6) no . 3_566
C93 H92 3.220(7) no . 3_566
C94 H102 3.219(9) no . 3_666
C95 H102 3.100(8) no . 3_666
C95 H106 3.501(8) no . 3_566
C96 H83 3.471(9) no . 3_666
C96 H91 3.243(9) no . 3_566
C97 H91 3.536(12) no . 3_566
C102 H94 3.552(8) no . 3_666
C102 H95 3.327(7) no . 3_666
C110 H135 3.507(5) no . 1_455
C114 H127 3.409(5) no . 3_556
C115 H127 3.214(5) no . 3_556
C116 H134 3.193(6) no . 1_455
C116 H135 3.277(6) no . 1_455
C117 H126 3.4249(9) no . 3_556
C117 H127 3.2338(8) no . 3_556
C121 H115 3.536(5) no . 3_556
C121 H127 2.905(6) no . 3_556
C122 H124 3.475(5) no . 3_656
C125 H123 3.443(5) no . 3_656
C126 H123 3.517(5) no . 3_656
C126 H124 3.576(5) no . 3_656
C127 H115 3.441(5) no . 3_556
C127 H124 3.338(5) no . 3_656
C128 H123 3.599(5) no . 3_656
C134 H116 3.200(5) no . 1_655
C135 H116 3.366(5) no . 1_655
C141 H116 3.531(17) no . 3_656
C141 H126 3.551(12) no . 3_656
C141 H138 3.093(12) no . 3_656
C143 H84 3.3017(9) no . 1_455
C144 H51 3.5059(7) no . 1_455
C144 H95 3.3359(7) no . 3_566
C144 H105 3.4509(9) no . .
C145 H105 3.4263(7) no . 1_655
C201 H113 2.9261(7) no . .
C203 H32 3.5211(7) no . 1_655
C203 H113 3.5765(12) no . .
C203 H123 3.3017(6) no . .
C204 H33 3.4237(7) no . 1_655
C204 H135 3.4484(8) no . .
C205 H13 2.5595(5) no . 1_655
C205 H14 3.4353(8) no . 1_655
C205 H84 3.5644(8) no . .
C206 H13 3.04(4) no . 1_655
C207 H21 3.2772(7) no . 1_655
H3 Cl5 3.1340(6) no . 1_655
H3 Cl6 3.3787(8) no . 1_655
H6 C29 3.356(7) no . 1_655
H6 C35 3.535(5) no . 1_655
H6 C36 3.434(5) no . 1_655
H6 H36 3.4272(8) no . 1_655
H10 O2 3.555(5) no . 1_655
H10 O203 3.5910(8) no . .
H10 C22 2.936(6) no . 1_655
H10 C23 3.338(5) no . 1_655
H10 C26 3.333(6) no . 1_655
H10 H22 2.5508(7) no . 1_655
H10 H36 2.8159(6) no . 1_655
H11 O4 2.344(4) no . 4_454
H11 C22 3.241(6) no . 1_655
H11 C61 3.258(5) no . 4_454
H11 C62 3.356(6) no . 4_454
H11 C64 3.050(5) no . 4_454
H11 H22 2.3977(6) no . 1_655
H11 H62 3.2445(7) no . 4_454
H13 O203 2.9366(8) no . 1_455
H13 C205 2.5595(5) no . 1_455
H13 C206 3.04(4) no . 1_455
H14 Cl5 2.9676(7) no . .
H14 O203 3.5932(11) no . 1_455
H14 C205 3.4353(8) no . 1_455
H21 O4 3.092(4) no . 4_354
H21 O204 3.5808(8) no . 1_455
H21 C207 3.2772(7) no . 1_455
H22 O4 2.584(4) no . 4_354
H22 C10 3.116(6) no . 1_455
H22 C11 3.038(6) no . 1_455
H22 C62 3.541(6) no . 4_354
H22 H10 2.5508(7) no . 1_455
H22 H11 2.3977(6) no . 1_455
H22 H49 3.2903(7) no . 4_454
H22 H62 2.8106(5) no . 4_354
H24 O3 2.911(5) no . 4_454
H24 C30 3.446(7) no . 1_655
H24 C57 3.071(6) no . 4_454
H24 C58 3.386(5) no . 4_454
H25 C58 3.431(5) no . 4_454
H25 C59 3.357(5) no . 4_454
H25 C60 3.449(5) no . 4_454
H25 C63 3.570(6) no . 4_454
H32 Cl3 3.251(5) no . 1_455
H32 C203 3.5211(7) no . 1_455
H33 Cl3 3.456(5) no . 1_455
H33 C30 3.543(8) no . 1_655
H33 C204 3.4237(7) no . 1_455
H35 O203 3.0190(6) no . 1_455
H35 C1 3.087(5) no . 1_455
H35 C2 3.180(5) no . 1_455
H35 C3 3.349(5) no . 1_455
H35 C4 3.453(5) no . 1_455
H35 C5 3.377(5) no . 1_455
H35 C6 3.177(5) no . 1_455
H36 O203 3.0045(8) no . 1_455
H36 C1 3.381(5) no . 1_455
H36 C6 3.516(5) no . 1_455
H36 C7 3.164(5) no . 1_455
H36 C8 3.404(5) no . 1_455
H36 H6 3.4272(8) no . 1_455
H36 H10 2.8159(6) no . 1_455
H41 C66 3.318(6) no . 1_455
H41 C67 3.1206(7) no . 1_455
H41 C74 3.473(6) no . 1_455
H41 H74 3.5876(8) no . 1_455
H44 Cl5 2.9340(6) no . .
H48 Cl9 3.352(9) no . 1_455
H48 C61 3.357(5) no . 1_455
H48 C62 2.990(5) no . 1_455
H48 C64 3.328(6) no . 1_455
H48 C74 3.402(5) no . 1_455
H48 H62 2.6183(7) no . 1_455
H48 H74 2.4694(5) no . 1_455
H49 O2 2.373(4) no . 4_655
H49 C22 3.425(6) no . 4_655
H49 C23 3.349(5) no . 4_655
H49 C26 3.087(5) no . 4_655
H49 C62 3.214(6) no . 1_455
H49 H22 3.2903(7) no . 4_655
H49 H62 2.3728(6) no . 1_455
H51 Cl9 3.037(10) no . .
H51 Cl11 2.6072(6) no . .
H51 C144 3.5059(7) no . 1_655
H52 Cl7 3.3792(8) no . 1_655
H59 C20 3.327(5) no . 4_655
H59 C21 3.432(6) no . 4_655
H59 C22 3.550(6) no . 4_655
H59 C23 3.562(5) no . 4_655
H59 C24 3.416(5) no . 4_655
H59 C25 3.299(5) no . 4_655
H60 O1 2.913(5) no . 4_655
H60 C19 3.036(6) no . 4_655
H60 C20 3.386(5) no . 4_655
H60 C68 3.4707(9) no . 1_455
H62 O2 2.531(4) no . 4_755
H62 C22 3.543(6) no . 4_755
H62 C48 3.170(6) no . 1_655
H62 C49 3.046(6) no . 1_655
H62 H11 3.2445(7) no . 4_655
H62 H22 2.8106(5) no . 4_755
H62 H48 2.6183(7) no . 1_655
H62 H49 2.3728(6) no . 1_655
H63 O2 3.109(4) no . 4_755
H70 Cl1 3.071(3) no . 3_756
H73 Cl9 3.086(9) no . .
H73 C41 3.545(5) no . 1_655
H73 C42 3.152(5) no . 1_655
H73 C43 3.157(5) no . 1_655
H73 C44 3.535(5) no . 1_655
H73 C45 3.599(5) no . 1_655
H74 Cl9 3.207(9) no . .
H74 C42 3.460(5) no . 1_655
H74 C45 3.129(5) no . 1_655
H74 C46 3.262(5) no . 1_655
H74 C48 3.330(6) no . 1_655
H74 H41 3.5876(8) no . 1_655
H74 H48 2.4694(5) no . 1_655
H83 O6 2.758(8) no . 3_666
H83 C96 3.471(9) no . 3_666
H83 H94 3.5466(9) no . 3_666
H84 Cl6 3.4117(7) no . 1_655
H84 O6 2.945(7) no . 3_666
H84 C143 3.3017(9) no . 1_655
H84 C205 3.5644(8) no . .
H84 H94 3.0483(6) no . 3_666
H91 O6 3.227(8) no . 3_566
H91 N6 3.451(7) no . 3_566
H91 C96 3.243(9) no . 3_566
H91 C97 3.536(12) no . 3_566
H92 C91 3.467(7) no . 3_566
H92 C92 3.008(6) no . 3_566
H92 C93 3.220(7) no . 3_566
H92 H92 3.1106(7) no . 3_566
H94 Cl6 3.5706(9) no . 3_566
H94 C102 3.552(8) no . 3_666
H94 H83 3.5466(9) no . 3_666
H94 H84 3.0483(6) no . 3_666
H94 H102 2.6661(6) no . 3_666
H95 Cl7 3.2327(8) no . 3_566
H95 C102 3.327(7) no . 3_666
H95 C144 3.3359(7) no . 3_566
H95 H102 2.5029(7) no . 3_666
H102 C94 3.219(9) no . 3_666
H102 C95 3.100(8) no . 3_666
H102 H94 2.6661(6) no . 3_666
H102 H95 2.5029(7) no . 3_666
H103 Cl6 3.2946(11) no . 1_655
H103 Cl7 3.4584(8) no . 1_655
H105 Cl6 3.2009(8) no . .
H105 Cl7 3.0448(10) no . .
H105 Cl9 3.562(9) no . 1_455
H105 Cl11 3.2427(10) no . 1_455
H105 C144 3.4509(9) no . .
H105 C145 3.4263(7) no . 1_455
H106 O5 2.870(8) no . 3_566
H106 C89 3.362(8) no . 3_566
H106 C90 3.286(7) no . 3_566
H106 C95 3.501(8) no . 3_566
H112 C28 2.882(6) no . 1_655
H112 C29 3.511(7) no . 1_655
H113 Cl3 3.449(6) no . 1_455
H113 C201 2.9261(7) no . .
H113 C203 3.5765(12) no . .
H115 O7 2.789(4) no . 3_556
H115 C121 3.536(5) no . 3_556
H115 C127 3.441(5) no . 3_556
H115 H127 2.6018(5) no . 3_556
H115 H134 3.3047(6) no . 1_455
H116 Cl1 2.901(3) no . 3_656
H116 C134 3.200(5) no . 1_455
H116 C135 3.366(5) no . 1_455
H116 C141 3.531(17) no . 3_656
H116 H134 2.4855(7) no . 1_455
H116 H135 2.8235(7) no . 1_455
H123 O8 3.209(5) no . 3_656
H123 O202 3.5323(7) no . .
H123 C125 3.443(5) no . 3_656
H123 C126 3.517(5) no . 3_656
H123 C128 3.599(5) no . 3_656
H123 C203 3.3017(6) no . .
H124 C122 3.475(5) no . 3_656
H124 C126 3.576(5) no . 3_656
H124 C127 3.338(5) no . 3_656
H126 Cl2 3.203(3) no . 3_656
H126 O202 3.2371(7) no . 3_656
H126 C117 3.4249(9) no . 3_556
H126 C141 3.551(12) no . 3_656
H127 O7 3.000(4) no . 3_556
H127 N7 2.878(5) no . 3_556
H127 C114 3.409(5) no . 3_556
H127 C115 3.214(5) no . 3_556
H127 C117 3.2338(8) no . 3_556
H127 C121 2.905(6) no . 3_556
H127 H115 2.6018(5) no . 3_556
H127 H127 3.4337(8) no . 3_556
H134 Cl1 3.159(3) no . 3_756
H134 O7 3.325(4) no . 3_656
H134 C116 3.193(6) no . 1_655
H134 H115 3.3047(6) no . 1_655
H134 H116 2.4855(7) no . 1_655
H135 C110 3.507(5) no . 1_655
H135 C116 3.277(6) no . 1_655
H135 C204 3.4484(8) no . .
H135 H116 2.8235(7) no . 1_655
H137 C66 3.408(6) no . 1_455
H138 Cl1 3.090(3) no . 3_656
H138 Cl2 3.179(3) no . 3_656
H138 C141 3.093(12) no . 3_656

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
