# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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. 
# 
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data_ma18033_0m
_database_code_depnum_ccdc_archive 'CCDC 1955646'
loop_
_audit_author_name
_audit_author_address
'Carsten Streb'
;Ulm University
Germany
;
_audit_update_record             
;
2019-09-24 deposited with the CCDC.	2019-10-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT214_ma18033_0m          
;
PROBLEM: Atom N11       (Anion/Solvent) ADP max/min Ratio        8.0 prolat
RESPONSE: Due to disorder of some of the dimethyl ammonium cations
;
_vrf_PLAT245_ma18033_0m          
;
PROBLEM: U(iso) H11D      Smaller than U(eq) C22       by      0.141 Ang**2
RESPONSE: Due to problems caused by the disorder of this DMA cation
;
_vrf_PLAT390_ma18033_0m          
;
PROBLEM: Deviating Methyl C22       X-C-H Bond Angle ....         38 Degree
RESPONSE: Due to disorder of some of the dimethyl ammonium cations
;
_vrf_PLAT430_ma18033_0m          
;
PROBLEM: Short Inter D...A Contact  O8       ..O22      .       2.49 Ang.
RESPONSE: Due to disorder of some of the dimethyl ammonium cations
;
_vrf_PLAT214_ma18033_0m_2        
;
PROBLEM: Atom C20       (Anion/Solvent) ADP max/min Ratio        5.3 prolat
RESPONSE: Due to disorder of some of the dimethyl ammonium cations
;
_vrf_PLAT306_ma18033_0m          
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O54 Check
RESPONSE: Water molecule with no protons assigned
;
_vrf_PLAT391_ma18033_0m          
;
PROBLEM: Deviating Methyl C22       H-C-H Bond Angle ....         71 Degree
RESPONSE: Due to disorder of some of the dimethyl ammonium cations
;
_vrf_PLAT430_ma18033_0m_2        
;
PROBLEM: Short Inter D...A Contact  O0AA     ..O29      .       2.80 Ang.
RESPONSE: Due to disorder of some of the dimethyl ammonium cations
;
# Added during the CSD deposition process: Tuesday 24 September 2019 03:59 PM
# end Validation Reply Form

_audit_creation_date             2019-09-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'O28 V10, 4.5(C2 H8 N), 3(O), 0.5(C1.33 H2 N), 0.33(C)'
_chemical_formula_sum            'C10 H38 N5 O31 V10'
_chemical_formula_weight         1233.85
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2284(4)
_cell_length_b                   16.7543(6)
_cell_length_c                   20.7837(7)
_cell_angle_alpha                81.2690(14)
_cell_angle_beta                 83.9623(14)
_cell_angle_gamma                82.4443(16)
_cell_volume                     3816.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9227
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.47
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.436
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0797 before and 0.0607 after correction.
The Ratio of minimum to maximum transmission is 0.8338.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.147
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2444
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            163183
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         3.457
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12599
_reflns_number_total             14440
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.741
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1072
_refine_ls_number_reflns         14440
_refine_ls_number_restraints     23
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0572
_refine_ls_restrained_S_all      1.131
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0512P)²+38.5167P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1527
_refine_ls_wR_factor_ref         0.1616
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C22) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C21) \\sim Ueq, Uanis(C18) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
3. Others
 Fixed Sof: O59(0.5) O61(0.25) O62(0.5) O63(0.5) O64(0.25) C18(0.66667)
 C21(0.66667) C22(0.66667) O0AA(0.5) O1AA(0.5)
4.a Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), N2(H2A,H2B), N3(H3D,H3E), N4(H4A,H4B), N5(H5A,H5B), N6(H6A,H6B),
 N7(H7D,H7E), N8(H8D,H8E), N9(H9D,H9E), N11(H11D,H11E)
4.b Idealised Me refined as rotating group:
 C1(H1C,H1D,H1E), C2(H2C,H2D,H2E), C3(H3A,H3B,H3C), C4(H4C,H4D,H4E), C5(H5C,
 H5D,H5E), C6(H6C,H6D,H6E), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C),
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,
 H17B,H17C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
V1 V 0.39051(8) -0.55784(5) 0.51320(4) 0.01447(19) Uani 1 1 d . . . . .
V2 V 0.11243(8) 0.55489(5) -0.02210(4) 0.01434(19) Uani 1 1 d . . . . .
V3 V 0.16100(8) 0.05947(5) 0.29264(4) 0.01586(19) Uani 1 1 d . . . . .
V4 V 0.59105(8) -0.58072(6) 0.39935(4) 0.0163(2) Uani 1 1 d . . . . .
V5 V 0.32556(8) -0.06362(5) 0.20060(5) 0.0174(2) Uani 1 1 d . . . . .
V6 V 0.27825(9) 0.12204(6) 0.14856(5) 0.0190(2) Uani 1 1 d . . . . .
V7 V 0.16419(8) 0.36930(5) 0.02192(5) 0.0167(2) Uani 1 1 d . . . . .
V8 V -0.00251(9) 0.11127(6) 0.18149(5) 0.0204(2) Uani 1 1 d . . . . .
V9 V -0.05642(8) 0.57574(6) 0.10724(4) 0.0178(2) Uani 1 1 d . . . . .
V10 V -0.00527(9) 0.39093(6) 0.15315(5) 0.0192(2) Uani 1 1 d . . . . .
V11 V 0.33504(8) -0.37342(6) 0.46175(4) 0.0170(2) Uani 1 1 d . . . . .
V12 V 0.20987(9) -0.12388(6) 0.34393(5) 0.0205(2) Uani 1 1 d . . . . .
V13 V 0.43783(8) 0.07269(6) 0.26023(5) 0.0207(2) Uani 1 1 d . . . . .
V14 V 0.04890(8) -0.07393(6) 0.23203(5) 0.0193(2) Uani 1 1 d . . . . .
V15 V 0.54016(9) -0.39597(6) 0.34617(5) 0.0198(2) Uani 1 1 d . . . . .
V16 V 0.33895(9) 0.00181(6) 0.39836(5) 0.0245(2) Uani 1 1 d . . . . .
V17 V 0.49302(9) -0.11118(6) 0.30997(5) 0.0240(2) Uani 1 1 d . . . . .
V18 V 0.14923(9) -0.00358(6) 0.09420(5) 0.0232(2) Uani 1 1 d . . . . .
V19 V 0.20529(9) 0.49282(6) 0.11308(5) 0.0211(2) Uani 1 1 d . . . . .
V20 V 0.33355(9) -0.50350(6) 0.37065(5) 0.0207(2) Uani 1 1 d . . . . .
O1 O -0.0924(3) 0.4878(2) 0.16831(18) 0.0197(8) Uani 1 1 d . . . . .
O2 O -0.0630(3) 0.0179(2) 0.2218(2) 0.0224(8) Uani 1 1 d . . . . .
O3 O 0.1716(3) 0.0227(2) 0.19984(18) 0.0167(8) Uani 1 1 d . . . . .
O4 O 0.1890(4) 0.0722(2) 0.36876(19) 0.0220(8) Uani 1 1 d . . . . .
O5 O 0.0208(4) 0.0738(3) 0.1017(2) 0.0252(9) Uani 1 1 d . . . . .
O6 O 0.2397(4) 0.2920(2) -0.0068(2) 0.0235(9) Uani 1 1 d . . . . .
O7 O -0.0062(3) 0.6286(2) 0.01985(19) 0.0180(8) Uani 1 1 d . . . . .
O8 O 0.3680(4) -0.1819(2) 0.3367(2) 0.0258(9) Uani 1 1 d . . . . .
O9 O 0.1767(3) 0.4535(2) -0.05225(18) 0.0167(8) Uani 1 1 d . . . . .
O10 O 0.0856(3) -0.0375(2) 0.31611(19) 0.0193(8) Uani 1 1 d . . . . .
O11 O 0.4581(4) -0.5875(2) 0.36034(18) 0.0198(8) Uani 1 1 d . . . . .
O12 O 0.3575(4) 0.1945(3) 0.1201(2) 0.0273(9) Uani 1 1 d . . . . .
O13 O 0.5535(3) -0.0187(2) 0.2696(2) 0.0246(9) Uani 1 1 d . . . . .
O14 O 0.2562(4) 0.0779(3) 0.0785(2) 0.0257(9) Uani 1 1 d . . . . .
O15 O 0.6368(3) -0.4927(2) 0.33969(18) 0.0202(8) Uani 1 1 d . . . . .
O16 O 0.2101(3) -0.1317(2) 0.24660(19) 0.0199(8) Uani 1 1 d . . . . .
O17 O -0.0354(4) -0.1432(3) 0.2628(2) 0.0279(9) Uani 1 1 d . . . . .
O18 O 0.0689(4) -0.0831(2) 0.1468(2) 0.0251(9) Uani 1 1 d . . . . .
O19 O 0.5216(4) 0.1420(3) 0.2284(2) 0.0293(10) Uani 1 1 d . . . . .
O20 O 0.4710(3) -0.4775(2) 0.43893(18) 0.0161(7) Uani 1 1 d . . . . .
O21 O 0.0817(4) 0.3165(2) 0.09823(19) 0.0228(9) Uani 1 1 d . . . . .
O22 O 0.4290(4) -0.3222(2) 0.39116(19) 0.0220(8) Uani 1 1 d . . . . .
O23 O 0.4133(4) -0.4308(2) 0.31292(18) 0.0224(8) Uani 1 1 d . . . . .
O24 O 0.2473(3) -0.4165(2) 0.41221(19) 0.0219(8) Uani 1 1 d . . . . .
O25 O 0.1313(4) -0.1976(2) 0.3716(2) 0.0274(9) Uani 1 1 d . . . . .
O26 O 0.2333(4) -0.0820(3) 0.4146(2) 0.0262(9) Uani 1 1 d . . . . .
O27 O 0.2779(3) 0.1281(2) 0.24634(19) 0.0181(8) Uani 1 1 d . . . . .
O28 O 0.1347(4) 0.4184(2) 0.17523(19) 0.0237(9) Uani 1 1 d . . . . .
O29 O 0.6862(4) -0.6537(2) 0.3761(2) 0.0238(9) Uani 1 1 d . . . . .
O30 O 0.3100(3) -0.4567(2) 0.53724(18) 0.0163(7) Uani 1 1 d . . . . .
O31 O -0.1361(4) 0.6505(3) 0.1374(2) 0.0271(9) Uani 1 1 d . . . . .
O32 O 0.2956(3) -0.5707(2) 0.4585(2) 0.0215(8) Uani 1 1 d . . . . .
O33 O 0.3185(3) -0.0272(2) 0.29413(19) 0.0188(8) Uani 1 1 d . . . . .
O34 O 0.0927(4) 0.5762(2) 0.1339(2) 0.0229(8) Uani 1 1 d . . . . .
O35 O 0.4688(4) -0.0757(3) 0.3907(2) 0.0272(9) Uani 1 1 d . . . . .
O36 O 0.4207(4) 0.0812(2) 0.3462(2) 0.0242(9) Uani 1 1 d . . . . .
O37 O -0.0451(4) 0.3297(3) 0.2165(2) 0.0281(9) Uani 1 1 d . . . . .
O38 O 0.1234(3) 0.1775(2) 0.1554(2) 0.0211(8) Uani 1 1 d . . . . .
O39 O 0.2704(3) 0.4041(2) 0.06506(19) 0.0208(8) Uani 1 1 d . . . . .
O40 O 0.3515(3) -0.6164(2) 0.58414(18) 0.0195(8) Uani 1 1 d . . . . .
O41 O 0.5925(4) -0.3365(3) 0.2852(2) 0.0304(10) Uani 1 1 d . . . . .
O42 O 0.0369(3) 0.1234(2) 0.27353(19) 0.0195(8) Uani 1 1 d . . . . .
O43 O 0.6108(4) -0.1757(3) 0.3186(3) 0.0349(11) Uani 1 1 d . . . . .
O44 O 0.1396(3) 0.6148(2) -0.09311(19) 0.0190(8) Uani 1 1 d . . . . .
O45 O 0.2474(4) -0.2970(2) 0.4850(2) 0.0241(9) Uani 1 1 d . . . . .
O46 O 0.3390(5) 0.0242(3) 0.4703(2) 0.0351(11) Uani 1 1 d . . . . .
O47 O 0.4519(3) -0.1254(2) 0.2194(2) 0.0224(8) Uani 1 1 d . . . . .
O48 O 0.2314(4) -0.5252(3) 0.3298(2) 0.0289(9) Uani 1 1 d . . . . .
O49 O 0.3231(4) 0.5083(3) 0.1444(2) 0.0317(10) Uani 1 1 d . . . . .
O50 O 0.2999(4) -0.0766(2) 0.1240(2) 0.0246(9) Uani 1 1 d . . . . .
O51 O 0.2261(3) 0.5604(2) 0.02456(19) 0.0204(8) Uani 1 1 d . . . . .
O52 O -0.1206(4) 0.1754(3) 0.1729(2) 0.0297(10) Uani 1 1 d . . . . .
O53 O 0.1478(4) -0.0269(3) 0.0224(2) 0.0350(11) Uani 1 1 d . . . . .
N1 N 0.2348(5) 0.2891(3) 0.2620(2) 0.0254(11) Uani 1 1 d . . . . .
H1A H 0.1867 0.3265 0.2388 0.030 Uiso 1 1 calc R . . . .
H1B H 0.2345 0.2420 0.2471 0.030 Uiso 1 1 calc R . . . .
O54 O 0.6333(6) -0.2567(5) 0.1449(3) 0.076(2) Uani 1 1 d . . . . .
O55 O 0.4026(3) 0.0346(2) 0.1776(2) 0.0199(8) Uani 1 1 d . . . . .
O56 O -0.0005(6) -0.3718(5) 0.4188(3) 0.0657(18) Uani 1 1 d . . . . .
N2 N 0.4907(5) 0.3112(4) 0.0242(3) 0.0342(13) Uani 1 1 d . . . . .
H2A H 0.4141 0.3049 0.0376 0.041 Uiso 1 1 calc R . . . .
H2B H 0.5257 0.2650 0.0109 0.041 Uiso 1 1 calc R . . . .
N3 N 0.2622(6) -0.3000(4) 0.2477(3) 0.0415(15) Uani 1 1 d . . . . .
H3D H 0.2563 -0.2505 0.2592 0.050 Uiso 1 1 calc R . . . .
H3E H 0.3061 -0.3337 0.2759 0.050 Uiso 1 1 calc R . . . .
C1 C 0.5511(7) 0.3268(5) 0.0790(4) 0.0428(17) Uani 1 1 d . . . . .
H1C H 0.6325 0.3367 0.0644 0.064 Uiso 1 1 calc GR . . . .
H1D H 0.5516 0.2805 0.1125 0.064 Uiso 1 1 calc GR . . . .
H1E H 0.5089 0.3737 0.0963 0.064 Uiso 1 1 calc GR . . . .
C2 C 0.1400(8) -0.3258(5) 0.2525(4) 0.0466(19) Uani 1 1 d . . . . .
H2C H 0.0916 -0.2891 0.2228 0.070 Uiso 1 1 calc GR . . . .
H2D H 0.1035 -0.3251 0.2963 0.070 Uiso 1 1 calc GR . . . .
H2E H 0.1458 -0.3798 0.2414 0.070 Uiso 1 1 calc GR . . . .
N4 N 0.5262(5) -0.2083(3) 0.4856(3) 0.0357(13) Uani 1 1 d . . . . .
H4A H 0.5105 -0.1719 0.4507 0.043 Uiso 1 1 calc R . . . .
H4B H 0.5045 -0.2553 0.4787 0.043 Uiso 1 1 calc R . . . .
C3 C 0.3583(6) 0.3121(5) 0.2515(4) 0.0437(19) Uani 1 1 d . . . . .
H3A H 0.3588 0.3641 0.2654 0.065 Uiso 1 1 calc GR . . . .
H3B H 0.3855 0.3151 0.2059 0.065 Uiso 1 1 calc GR . . . .
H3C H 0.4109 0.2721 0.2764 0.065 Uiso 1 1 calc GR . . . .
N5 N -0.0273(5) 0.2066(3) 0.0049(3) 0.0340(13) Uani 1 1 d . . . . .
H5A H -0.0178 0.1691 0.0397 0.041 Uiso 1 1 calc R . . . .
H5B H -0.0033 0.2520 0.0138 0.041 Uiso 1 1 calc R . . . .
N6 N -0.2483(7) 0.0250(6) 0.3132(4) 0.069(3) Uani 1 1 d . . . . .
H6A H -0.3152 0.0134 0.2990 0.083 Uiso 1 1 calc R . . . .
H6B H -0.1888 0.0178 0.2820 0.083 Uiso 1 1 calc R . . . .
C4 C 0.6574(7) -0.2188(5) 0.4918(5) 0.051(2) Uani 1 1 d . . . . .
H4C H 0.6807 -0.1699 0.5029 0.077 Uiso 1 1 calc GR . . . .
H4D H 0.6999 -0.2302 0.4510 0.077 Uiso 1 1 calc GR . . . .
H4E H 0.6769 -0.2632 0.5254 0.077 Uiso 1 1 calc GR . . . .
C5 C 0.6674(7) 0.3691(5) 0.2236(4) 0.0460(19) Uani 1 1 d . . . . .
H5C H 0.5868 0.3603 0.2410 0.069 Uiso 1 1 calc GR . . . .
H5D H 0.7239 0.3371 0.2515 0.069 Uiso 1 1 calc GR . . . .
H5E H 0.6820 0.3534 0.1806 0.069 Uiso 1 1 calc GR . . . .
C6 C 0.6017(7) 0.5114(6) 0.1768(4) 0.048(2) Uani 1 1 d . . . . .
H6C H 0.6180 0.4985 0.1331 0.072 Uiso 1 1 calc GR . . . .
H6D H 0.6150 0.5667 0.1774 0.072 Uiso 1 1 calc GR . . . .
H6E H 0.5194 0.5046 0.1919 0.072 Uiso 1 1 calc GR . . . .
C7 C 0.4945(8) 0.3782(6) -0.0322(4) 0.054(2) Uani 1 1 d . . . . .
H7A H 0.4566 0.4282 -0.0182 0.080 Uiso 1 1 calc GR . . . .
H7B H 0.4525 0.3656 -0.0665 0.080 Uiso 1 1 calc GR . . . .
H7C H 0.5769 0.3839 -0.0479 0.080 Uiso 1 1 calc GR . . . .
C8 C -0.1557(8) 0.2224(5) -0.0052(6) 0.065(3) Uani 1 1 d . . . . .
H8A H -0.1696 0.2699 -0.0368 0.098 Uiso 1 1 calc GR . . . .
H8B H -0.2013 0.2310 0.0354 0.098 Uiso 1 1 calc GR . . . .
H8C H -0.1805 0.1765 -0.0207 0.098 Uiso 1 1 calc GR . . . .
N7 N 0.6822(5) 0.4568(4) 0.2198(3) 0.0360(14) Uani 1 1 d . . . . .
H7D H 0.6687 0.4707 0.2598 0.043 Uiso 1 1 calc R . . . .
H7E H 0.7581 0.4639 0.2056 0.043 Uiso 1 1 calc R . . . .
C9 C 0.4525(9) -0.1815(5) 0.5430(4) 0.055(2) Uani 1 1 d . . . . .
H9A H 0.4646 -0.2221 0.5804 0.082 Uiso 1 1 calc GR . . . .
H9B H 0.3689 -0.1738 0.5348 0.082 Uiso 1 1 calc GR . . . .
H9C H 0.4761 -0.1312 0.5512 0.082 Uiso 1 1 calc GR . . . .
N8 N -0.0971(6) 0.5000(7) 0.3846(4) 0.078(3) Uani 1 1 d . . . A 1
H8D H -0.1759 0.5013 0.3959 0.094 Uiso 1 1 calc R . . A 1
H8E H -0.0737 0.5457 0.3933 0.094 Uiso 1 1 calc R . . A 1
C10 C 0.0511(8) 0.1792(5) -0.0504(4) 0.0471(19) Uani 1 1 d . . . . .
H10A H 0.0249 0.1311 -0.0613 0.071 Uiso 1 1 calc GR . . . .
H10B H 0.1326 0.1674 -0.0387 0.071 Uiso 1 1 calc GR . . . .
H10C H 0.0471 0.2212 -0.0873 0.071 Uiso 1 1 calc GR . . . .
C11 C 0.3248(9) -0.2988(6) 0.1824(5) 0.058(2) Uani 1 1 d . . . . .
H11A H 0.3293 -0.3515 0.1690 0.087 Uiso 1 1 calc GR . . . .
H11B H 0.4047 -0.2846 0.1830 0.087 Uiso 1 1 calc GR . . . .
H11C H 0.2813 -0.2593 0.1522 0.087 Uiso 1 1 calc GR . . . .
C12 C 0.1863(11) 0.2810(5) 0.3307(4) 0.075(4) Uani 1 1 d . . . . .
H12A H 0.2301 0.2351 0.3549 0.112 Uiso 1 1 calc GR . . . .
H12B H 0.1026 0.2731 0.3336 0.112 Uiso 1 1 calc GR . . . .
H12C H 0.1943 0.3294 0.3485 0.112 Uiso 1 1 calc GR . . . .
C13 C -0.2653(9) 0.1119(7) 0.3223(6) 0.076(3) Uani 1 1 d . . . . .
H13A H -0.3377 0.1228 0.3501 0.114 Uiso 1 1 calc GR . . . .
H13B H -0.2716 0.1452 0.2807 0.114 Uiso 1 1 calc GR . . . .
H13C H -0.1975 0.1241 0.3421 0.114 Uiso 1 1 calc GR . . . .
C14 C -0.0739(7) 0.4958(7) 0.3154(4) 0.064(3) Uani 1 1 d . . . A 1
H14A H 0.0107 0.4965 0.3029 0.096 Uiso 1 1 calc GR . . A 1
H14B H -0.1183 0.5416 0.2915 0.096 Uiso 1 1 calc GR . . A 1
H14C H -0.0988 0.4464 0.3060 0.096 Uiso 1 1 calc GR . . A 1
C15 C -0.0298(11) 0.4267(9) 0.4251(6) 0.090(4) Uani 1 1 d . . . A 1
H15A H -0.0486 0.3773 0.4125 0.135 Uiso 1 1 calc GR . . A 1
H15B H -0.0544 0.4277 0.4707 0.135 Uiso 1 1 calc GR . . A 1
H15C H 0.0555 0.4294 0.4175 0.135 Uiso 1 1 calc GR . . A 1
C16 C -0.2207(8) -0.0328(8) 0.3707(4) 0.072(3) Uani 1 1 d . . . . .
H16A H -0.1470 -0.0225 0.3858 0.108 Uiso 1 1 calc GR . . . .
H16B H -0.2117 -0.0871 0.3598 0.108 Uiso 1 1 calc GR . . . .
H16C H -0.2851 -0.0271 0.4045 0.108 Uiso 1 1 calc GR . . . .
O57 O -0.0430(3) 0.5281(2) -0.05776(18) 0.0159(7) Uani 1 1 d . . . . .
O58 O 0.5248(3) -0.6316(2) 0.48408(18) 0.0170(8) Uani 1 1 d . . . . .
N9 N 0.0563(11) -0.1690(10) 0.5106(5) 0.178(10) Uani 1 1 d . . . B 1
H9D H 0.1098 -0.1814 0.4778 0.214 Uiso 1 1 calc R . . B 1
H9E H 0.0703 -0.2068 0.5448 0.214 Uiso 1 1 calc R . . B 1
C17 C -0.0496(10) -0.1733(11) 0.4941(8) 0.141(8) Uani 1 1 d . . . B 1
H17A H -0.1086 -0.1619 0.5295 0.211 Uiso 1 1 calc GR . . B 1
H17B H -0.0541 -0.2270 0.4844 0.211 Uiso 1 1 calc GR . . B 1
H17C H -0.0653 -0.1343 0.4562 0.211 Uiso 1 1 calc GR . . B 1
O59 O 0.4535(9) -0.1963(6) 0.0593(5) 0.038(2) Uani 0.5 1 d . . P C 1
O60 O -0.1480(6) -0.2646(6) 0.3426(6) 0.143(5) Uani 1 1 d . . . . .
O61 O 0.4099(12) -0.1544(10) 0.0153(8) 0.020(3) Uani 0.25 1 d . . P C -1
O62 O 0.3732(12) 0.1289(9) -0.0411(7) 0.062(3) Uani 0.5 1 d . . P D 1
O63 O 0.4195(17) 0.0636(11) -0.0189(8) 0.086(5) Uani 0.5 1 d . . P D -1
O64 O 0.0894(18) 0.3456(15) 0.4630(10) 0.047(6) Uani 0.25 1 d . . P A -1
C18 C 0.709(2) 0.043(2) 0.1243(10) 0.160(15) Uani 0.6667 1 d . U P E 1
N11 N 0.6270(10) 0.0069(14) 0.1117(9) 0.232(14) Uani 1 1 d . . . E 1
H11D H 0.5593 0.0104 0.1381 0.279 Uiso 1 1 calc R . . E 1
H11E H 0.6146 0.0103 0.0697 0.279 Uiso 1 1 calc R . . E 1
C20 C 0.0796(13) -0.0843(7) 0.5286(7) 0.32(3) Uani 1 1 d . . . B 1
H20A H 0.1183 -0.0537 0.4912 0.481 Uiso 1 1 calc GR . . B 1
H20B H 0.1306 -0.0932 0.5639 0.481 Uiso 1 1 calc GR . . B 1
H20C H 0.0041 -0.0545 0.5415 0.481 Uiso 1 1 calc GR . . B 1
C21 C 0.7462(16) -0.067(3) 0.1546(13) 0.169(15) Uani 0.6667 1 d . U P E -1
C22 C 0.668(3) -0.018(2) 0.1214(16) 0.42(4) Uani 0.6667 1 d . U P E 1
O0AA O -0.1013(9) 0.2391(6) 0.3662(5) 0.039(2) Uani 0.5 1 d . . P F 1
O1AA O -0.0808(17) 0.1771(10) 0.4330(8) 0.085(5) Uani 0.5 1 d . . P F -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
V1 V11 3.1161(13) . ?
V1 V15 3.0630(13) 2_646 ?
V1 V20 3.0728(13) . ?
V1 O20 2.099(4) . ?
V1 O20 2.123(4) 2_646 ?
V1 O30 1.923(4) . ?
V1 O32 1.692(4) . ?
V1 O40 1.693(4) . ?
V1 O58 1.926(4) . ?
V2 V7 3.1011(12) . ?
V2 V10 3.0565(13) 2_565 ?
V2 V19 3.0833(13) . ?
V2 O7 1.926(4) . ?
V2 O9 1.925(4) . ?
V2 O44 1.678(4) . ?
V2 O51 1.702(4) . ?
V2 O57 2.092(4) . ?
V2 O57 2.147(4) 2_565 ?
V3 V8 3.0536(13) . ?
V3 V12 3.0919(13) . ?
V3 V16 3.0864(13) . ?
V3 O3 2.099(4) . ?
V3 O4 1.695(4) . ?
V3 O10 1.905(4) . ?
V3 O27 1.940(4) . ?
V3 O33 2.136(4) . ?
V3 O42 1.685(4) . ?
V4 V11 3.0459(13) 2_646 ?
V4 V20 3.0878(13) . ?
V4 O11 1.797(4) . ?
V4 O15 1.867(4) . ?
V4 O20 2.252(4) . ?
V4 O29 1.612(4) . ?
V4 O30 2.026(4) 2_646 ?
V4 O58 1.954(4) . ?
V5 V17 3.0485(14) . ?
V5 V18 3.0893(14) . ?
V5 O3 2.102(4) . ?
V5 O16 1.922(4) . ?
V5 O33 2.115(4) . ?
V5 O47 1.687(4) . ?
V5 O50 1.699(4) . ?
V5 O55 1.932(4) . ?
V6 V13 3.0304(14) . ?
V6 V18 3.1101(14) . ?
V6 O3 2.249(4) . ?
V6 O12 1.604(4) . ?
V6 O14 1.784(4) . ?
V6 O27 2.050(4) . ?
V6 O38 1.863(4) . ?
V6 O55 1.958(4) . ?
V7 V9 3.0263(13) 2_565 ?
V7 V19 3.1164(13) . ?
V7 O6 1.611(4) . ?
V7 O7 2.050(4) 2_565 ?
V7 O9 1.932(4) . ?
V7 O21 1.907(4) . ?
V7 O39 1.769(4) . ?
V7 O57 2.218(4) 2_565 ?
V8 V14 3.1195(13) . ?
V8 V18 3.0731(14) . ?
V8 O2 1.837(4) . ?
V8 O3 2.322(4) . ?
V8 O5 1.843(4) . ?
V8 O38 1.896(4) . ?
V8 O42 2.053(4) . ?
V8 O52 1.600(4) . ?
V9 V7 3.0263(13) 2_565 ?
V9 V10 3.0949(13) . ?
V9 V19 3.0871(13) . ?
V9 O1 1.851(4) . ?
V9 O7 1.957(4) . ?
V9 O9 2.009(4) 2_565 ?
V9 O31 1.608(4) . ?
V9 O34 1.820(4) . ?
V9 O57 2.264(4) 2_565 ?
V10 V2 3.0564(13) 2_565 ?
V10 V19 3.0681(14) . ?
V10 O1 1.834(4) . ?
V10 O21 1.921(4) . ?
V10 O28 1.816(4) . ?
V10 O37 1.604(4) . ?
V10 O44 2.076(4) 2_565 ?
V10 O57 2.284(4) 2_565 ?
V11 V4 3.0457(13) 2_646 ?
V11 V20 3.0990(13) . ?
V11 O20 2.235(4) . ?
V11 O22 1.879(4) . ?
V11 O24 1.782(4) . ?
V11 O30 1.958(4) . ?
V11 O45 1.612(4) . ?
V11 O58 2.046(4) 2_646 ?
V12 V14 3.0450(13) . ?
V12 V16 3.1122(14) . ?
V12 O8 1.912(4) . ?
V12 O10 1.939(4) . ?
V12 O16 2.047(4) . ?
V12 O25 1.612(4) . ?
V12 O26 1.778(4) . ?
V12 O33 2.220(4) . ?
V13 V16 3.0865(15) . ?
V13 V17 3.0997(14) . ?
V13 O13 1.873(4) . ?
V13 O19 1.610(4) . ?
V13 O27 1.939(4) . ?
V13 O33 2.263(4) . ?
V13 O36 1.803(4) . ?
V13 O55 2.014(4) . ?
V14 V18 3.0837(14) . ?
V14 O2 1.854(4) . ?
V14 O3 2.243(4) . ?
V14 O10 2.034(4) . ?
V14 O16 1.968(4) . ?
V14 O17 1.609(4) . ?
V14 O18 1.790(4) . ?
V15 V1 3.0630(13) 2_646 ?
V15 V20 3.0755(14) . ?
V15 O15 1.843(4) . ?
V15 O20 2.313(4) . ?
V15 O22 1.913(4) . ?
V15 O23 1.842(4) . ?
V15 O40 2.037(4) 2_646 ?
V15 O41 1.600(4) . ?
V16 V17 3.0785(15) . ?
V16 O4 2.020(4) . ?
V16 O26 1.924(4) . ?
V16 O33 2.331(4) . ?
V16 O35 1.831(4) . ?
V16 O36 1.860(4) . ?
V16 O46 1.595(5) . ?
V17 O8 1.939(4) . ?
V17 O13 1.824(4) . ?
V17 O33 2.280(4) . ?
V17 O35 1.846(5) . ?
V17 O43 1.602(4) . ?
V17 O47 2.039(4) . ?
V18 O3 2.349(4) . ?
V18 O5 1.818(4) . ?
V18 O14 1.904(4) . ?
V18 O18 1.858(4) . ?
V18 O50 2.046(4) . ?
V18 O53 1.602(5) . ?
V19 O28 1.846(4) . ?
V19 O34 1.828(4) . ?
V19 O39 1.937(4) . ?
V19 O49 1.601(4) . ?
V19 O51 2.017(4) . ?
V19 O57 2.344(4) 2_565 ?
V20 O11 1.869(4) . ?
V20 O20 2.326(4) . ?
V20 O23 1.828(4) . ?
V20 O24 1.909(4) . ?
V20 O32 2.030(4) . ?
V20 O48 1.605(4) . ?
O7 V7 2.050(4) 2_565 ?
O9 V9 2.009(4) 2_565 ?
O20 V1 2.123(4) 2_646 ?
O30 V4 2.026(4) 2_646 ?
O40 V15 2.036(4) 2_646 ?
O44 V10 2.076(4) 2_565 ?
N1 C3 1.472(9) . ?
N1 C12 1.466(9) . ?
N2 C1 1.458(9) . ?
N2 C7 1.496(10) . ?
N3 C2 1.481(10) . ?
N3 C11 1.460(11) . ?
N4 C4 1.478(10) . ?
N4 C9 1.472(10) . ?
N5 C8 1.462(10) . ?
N5 C10 1.465(10) . ?
N6 C13 1.482(13) . ?
N6 C16 1.453(13) . ?
C5 N7 1.490(10) . ?
C6 N7 1.468(10) . ?
N8 C14 1.445(11) . ?
N8 C15 1.537(15) . ?
C15 O64 1.92(3) . ?
O57 V2 2.147(4) 2_565 ?
O57 V7 2.218(4) 2_565 ?
O57 V9 2.264(4) 2_565 ?
O57 V10 2.284(4) 2_565 ?
O57 V19 2.344(4) 2_565 ?
O58 V11 2.046(4) 2_646 ?
N9 C17 1.285(10) . ?
N9 C20 1.58(2) . ?
O59 O61 1.173(19) . ?
O62 O63 1.19(2) . ?
C18 N11 1.236(17) . ?
C18 C21 1.85(5) . ?
C18 C22 1.18(3) . ?
N11 C21 1.90(4) . ?
N11 C22 0.61(5) . ?
C21 C22 1.30(5) . ?
O0AA O1AA 1.621(19) . ?

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
V15 V1 V11 117.48(4) 2_646 . ?
V15 V1 V20 176.19(4) 2_646 . ?
V20 V1 V11 60.09(3) . . ?
O20 V1 V11 85.58(10) 2_646 . ?
O20 V1 V11 45.78(10) . . ?
O20 V1 V15 48.96(10) 2_646 2_646 ?
O20 V1 V15 127.05(11) . 2_646 ?
O20 V1 V20 49.15(10) . . ?
O20 V1 V20 127.25(10) 2_646 . ?
O20 V1 O20 78.11(15) . 2_646 ?
O30 V1 V11 36.97(11) . . ?
O30 V1 V15 88.37(12) . 2_646 ?
O30 V1 V20 90.54(12) . . ?
O30 V1 O20 80.96(15) . . ?
O30 V1 O20 80.71(15) . 2_646 ?
O30 V1 O58 156.17(16) . . ?
O32 V1 V11 84.60(14) . . ?
O32 V1 V15 145.71(14) . 2_646 ?
O32 V1 V20 38.08(14) . . ?
O32 V1 O20 87.23(17) . . ?
O32 V1 O20 165.32(17) . 2_646 ?
O32 V1 O30 97.73(18) . . ?
O32 V1 O40 107.08(19) . . ?
O32 V1 O58 97.09(18) . . ?
O40 V1 V11 133.46(14) . . ?
O40 V1 V15 38.64(13) . 2_646 ?
O40 V1 V20 145.16(14) . . ?
O40 V1 O20 165.69(17) . . ?
O40 V1 O20 87.59(17) . 2_646 ?
O40 V1 O30 96.50(17) . . ?
O40 V1 O58 96.85(18) . . ?
O58 V1 V11 126.96(12) . . ?
O58 V1 V15 89.83(12) . 2_646 ?
O58 V1 V20 89.70(12) . . ?
O58 V1 O20 80.22(15) . 2_646 ?
O58 V1 O20 81.23(15) . . ?
V10 V2 V7 117.14(4) 2_565 . ?
V10 V2 V19 175.86(4) 2_565 . ?
V19 V2 V7 60.52(3) . . ?
O7 V2 V7 125.79(12) . . ?
O7 V2 V10 91.22(12) . 2_565 ?
O7 V2 V19 87.88(12) . . ?
O7 V2 O57 80.15(15) . 2_565 ?
O7 V2 O57 80.49(15) . . ?
O9 V2 V7 36.56(11) . . ?
O9 V2 V10 88.63(12) . 2_565 ?
O9 V2 V19 90.53(12) . . ?
O9 V2 O7 155.71(16) . . ?
O9 V2 O57 80.46(15) . 2_565 ?
O9 V2 O57 81.33(15) . . ?
O44 V2 V7 133.31(14) . . ?
O44 V2 V10 40.09(13) . 2_565 ?
O44 V2 V19 144.04(14) . . ?
O44 V2 O7 98.68(18) . . ?
O44 V2 O9 96.79(17) . . ?
O44 V2 O51 106.64(19) . . ?
O44 V2 O57 166.58(17) . 2_565 ?
O44 V2 O57 88.41(17) . . ?
O51 V2 V7 83.85(14) . . ?
O51 V2 V10 146.73(14) . 2_565 ?
O51 V2 V19 37.41(13) . . ?
O51 V2 O7 96.55(18) . . ?
O51 V2 O9 96.82(18) . . ?
O51 V2 O57 86.76(17) . 2_565 ?
O51 V2 O57 164.95(17) . . ?
O57 V2 V7 85.98(10) . . ?
O57 V2 V7 45.66(10) 2_565 . ?
O57 V2 V10 48.32(10) . 2_565 ?
O57 V2 V10 126.49(10) 2_565 2_565 ?
O57 V2 V19 49.37(10) 2_565 . ?
O57 V2 V19 127.54(11) . . ?
O57 V2 O57 78.20(15) . 2_565 ?
V8 V3 V12 118.15(4) . . ?
V8 V3 V16 176.14(4) . . ?
V16 V3 V12 60.49(3) . . ?
O3 V3 V8 49.43(10) . . ?
O3 V3 V12 85.48(10) . . ?
O3 V3 V16 126.80(11) . . ?
O3 V3 O33 77.85(15) . . ?
O4 V3 V8 146.40(14) . . ?
O4 V3 V12 84.37(14) . . ?
O4 V3 V16 37.34(14) . . ?
O4 V3 O3 164.12(18) . . ?
O4 V3 O10 97.69(18) . . ?
O4 V3 O27 96.07(18) . . ?
O4 V3 O33 86.32(17) . . ?
O10 V3 V8 89.43(12) . . ?
O10 V3 V12 36.83(12) . . ?
O10 V3 V16 90.74(12) . . ?
O10 V3 O3 81.23(16) . . ?
O10 V3 O27 156.17(17) . . ?
O10 V3 O33 81.05(16) . . ?
O27 V3 V8 89.80(12) . . ?
O27 V3 V12 126.38(12) . . ?
O27 V3 V16 88.49(12) . . ?
O27 V3 O3 80.23(15) . . ?
O27 V3 O33 80.53(15) . . ?
O33 V3 V8 127.28(11) . . ?
O33 V3 V12 45.90(10) . . ?
O33 V3 V16 48.98(11) . . ?
O42 V3 V8 39.45(14) . . ?
O42 V3 V12 134.60(14) . . ?
O42 V3 V16 144.26(14) . . ?
O42 V3 O3 88.87(17) . . ?
O42 V3 O4 106.9(2) . . ?
O42 V3 O10 97.79(18) . . ?
O42 V3 O27 96.67(17) . . ?
O42 V3 O33 166.69(18) . . ?
V11 V4 V20 121.94(4) 2_646 . ?
O11 V4 V11 134.47(13) . 2_646 ?
O11 V4 V20 33.35(12) . . ?
O11 V4 O15 94.05(18) . . ?
O11 V4 O20 81.65(16) . . ?
O11 V4 O30 156.58(16) . 2_646 ?
O11 V4 O58 92.94(17) . . ?
O15 V4 V11 125.96(13) . 2_646 ?
O15 V4 V20 83.47(12) . . ?
O15 V4 O20 79.44(15) . . ?
O15 V4 O30 86.65(16) . 2_646 ?
O15 V4 O58 153.98(17) . . ?
O20 V4 V11 85.18(10) . 2_646 ?
O20 V4 V20 48.61(10) . . ?
O29 V4 V11 90.11(15) . 2_646 ?
O29 V4 V20 136.98(16) . . ?
O29 V4 O11 103.9(2) . . ?
O29 V4 O15 100.99(19) . . ?
O29 V4 O20 174.39(18) . . ?
O29 V4 O30 98.95(18) . 2_646 ?
O29 V4 O58 101.59(19) . . ?
O30 V4 V11 39.31(11) 2_646 2_646 ?
O30 V4 V20 124.07(11) 2_646 . ?
O30 V4 O20 75.46(14) 2_646 . ?
O58 V4 V11 41.55(11) . 2_646 ?
O58 V4 V20 88.77(11) . . ?
O58 V4 O20 76.84(14) . . ?
O58 V4 O30 77.24(15) . 2_646 ?
V17 V5 V18 175.70(4) . . ?
O3 V5 V17 126.52(11) . . ?
O3 V5 V18 49.44(10) . . ?
O3 V5 O33 78.23(15) . . ?
O16 V5 V17 91.27(12) . . ?
O16 V5 V18 89.42(12) . . ?
O16 V5 O3 81.06(15) . . ?
O16 V5 O33 80.79(16) . . ?
O16 V5 O55 156.03(17) . . ?
O33 V5 V17 48.35(10) . . ?
O33 V5 V18 127.66(11) . . ?
O47 V5 V17 39.11(14) . . ?
O47 V5 V18 144.90(15) . . ?
O47 V5 O3 165.62(18) . . ?
O47 V5 O16 97.96(18) . . ?
O47 V5 O33 87.44(18) . . ?
O47 V5 O50 106.7(2) . . ?
O47 V5 O55 95.91(18) . . ?
O50 V5 V17 145.74(15) . . ?
O50 V5 V18 38.24(14) . . ?
O50 V5 O3 87.68(18) . . ?
O50 V5 O16 96.84(19) . . ?
O50 V5 O33 165.91(18) . . ?
O50 V5 O55 97.79(19) . . ?
O55 V5 V17 87.24(12) . . ?
O55 V5 V18 90.40(12) . . ?
O55 V5 O3 80.67(15) . . ?
O55 V5 O33 80.40(16) . . ?
V13 V6 V18 121.91(4) . . ?
O3 V6 V13 84.68(10) . . ?
O3 V6 V18 48.80(10) . . ?
O12 V6 V13 89.82(16) . . ?
O12 V6 V18 137.72(17) . . ?
O12 V6 O3 173.5(2) . . ?
O12 V6 O14 104.3(2) . . ?
O12 V6 O27 99.0(2) . . ?
O12 V6 O38 101.7(2) . . ?
O12 V6 O55 101.6(2) . . ?
O14 V6 V13 134.26(14) . . ?
O14 V6 V18 33.70(13) . . ?
O14 V6 O3 82.11(17) . . ?
O14 V6 O27 155.98(17) . . ?
O14 V6 O38 94.91(19) . . ?
O14 V6 O55 93.31(18) . . ?
O27 V6 V13 39.22(11) . . ?
O27 V6 V18 123.26(11) . . ?
O27 V6 O3 74.46(14) . . ?
O38 V6 V13 124.94(13) . . ?
O38 V6 V18 83.20(13) . . ?
O38 V6 O3 78.68(15) . . ?
O38 V6 O27 85.72(17) . . ?
O38 V6 O55 152.48(17) . . ?
O55 V6 V13 40.96(12) . . ?
O55 V6 V18 89.31(12) . . ?
O55 V6 O3 76.51(15) . . ?
O55 V6 O27 76.35(16) . . ?
V2 V7 V19 59.46(3) . . ?
V9 V7 V2 62.43(3) 2_565 . ?
V9 V7 V19 121.75(4) 2_565 . ?
O6 V7 V2 137.40(15) . . ?
O6 V7 V9 90.30(15) . 2_565 ?
O6 V7 V19 137.33(16) . . ?
O6 V7 O7 99.12(19) . 2_565 ?
O6 V7 O9 101.59(19) . . ?
O6 V7 O21 100.49(19) . . ?
O6 V7 O39 103.0(2) . . ?
O6 V7 O57 173.91(18) . 2_565 ?
O7 V7 V2 80.80(11) 2_565 . ?
O7 V7 V9 39.81(11) 2_565 2_565 ?
O7 V7 V19 123.54(11) 2_565 . ?
O7 V7 O57 74.92(14) 2_565 2_565 ?
O9 V7 V2 36.41(11) . . ?
O9 V7 V9 40.78(11) . 2_565 ?
O9 V7 V19 89.42(12) . . ?
O9 V7 O7 76.98(15) . 2_565 ?
O9 V7 O57 78.51(14) . 2_565 ?
O21 V7 V2 121.75(13) . . ?
O21 V7 V9 124.63(13) . 2_565 ?
O21 V7 V19 84.44(13) . . ?
O21 V7 O7 84.83(17) . 2_565 ?
O21 V7 O9 153.28(17) . . ?
O21 V7 O57 77.94(15) . 2_565 ?
O39 V7 V2 80.41(13) . . ?
O39 V7 V9 135.58(13) . 2_565 ?
O39 V7 V19 34.49(13) . . ?
O39 V7 O7 157.55(17) . 2_565 ?
O39 V7 O9 94.80(17) . . ?
O39 V7 O21 94.71(19) . . ?
O39 V7 O57 83.02(16) . 2_565 ?
O57 V7 V2 43.81(10) 2_565 . ?
O57 V7 V9 85.86(10) 2_565 2_565 ?
O57 V7 V19 48.63(10) 2_565 . ?
V3 V8 V14 61.94(3) . . ?
V3 V8 V18 92.59(4) . . ?
V18 V8 V14 59.72(3) . . ?
O2 V8 V3 78.84(13) . . ?
O2 V8 V14 32.47(12) . . ?
O2 V8 V18 83.68(13) . . ?
O2 V8 O3 77.68(15) . . ?
O2 V8 O5 92.14(19) . . ?
O2 V8 O38 153.19(18) . . ?
O2 V8 O42 84.69(17) . . ?
O3 V8 V3 43.36(10) . . ?
O3 V8 V14 45.85(9) . . ?
O3 V8 V18 49.23(10) . . ?
O5 V8 V3 125.22(13) . . ?
O5 V8 V14 81.86(13) . . ?
O5 V8 V18 32.66(13) . . ?
O5 V8 O3 81.86(16) . . ?
O5 V8 O38 89.94(18) . . ?
O5 V8 O42 156.57(17) . . ?
O38 V8 V3 78.17(13) . . ?
O38 V8 V14 122.00(12) . . ?
O38 V8 V18 83.76(12) . . ?
O38 V8 O3 76.17(15) . . ?
O38 V8 O42 82.88(17) . . ?
O42 V8 V3 31.43(11) . . ?
O42 V8 V14 83.14(11) . . ?
O42 V8 V18 124.01(11) . . ?
O42 V8 O3 74.78(14) . . ?
O52 V8 V3 132.85(18) . . ?
O52 V8 V14 135.61(17) . . ?
O52 V8 V18 134.55(18) . . ?
O52 V8 O2 103.4(2) . . ?
O52 V8 O3 176.0(2) . . ?
O52 V8 O5 101.9(2) . . ?
O52 V8 O38 102.3(2) . . ?
O52 V8 O42 101.4(2) . . ?
V7 V9 V10 118.26(4) 2_565 . ?
V7 V9 V19 121.25(4) 2_565 . ?
V19 V9 V10 59.51(3) . . ?
O1 V9 V7 126.84(13) . 2_565 ?
O1 V9 V10 32.70(12) . . ?
O1 V9 V19 83.87(12) . . ?
O1 V9 O7 154.34(17) . . ?
O1 V9 O9 87.93(17) . 2_565 ?
O1 V9 O57 79.39(15) . 2_565 ?
O7 V9 V7 42.11(11) . 2_565 ?
O7 V9 V10 123.98(12) . . ?
O7 V9 V19 87.24(11) . . ?
O7 V9 O9 77.39(15) . 2_565 ?
O7 V9 O57 76.62(15) . 2_565 ?
O9 V9 V7 38.91(11) 2_565 2_565 ?
O9 V9 V10 86.09(11) 2_565 . ?
O9 V9 V19 124.43(11) 2_565 . ?
O9 V9 O57 75.40(14) 2_565 2_565 ?
O31 V9 V7 90.05(16) . 2_565 ?
O31 V9 V10 134.68(16) . . ?
O31 V9 V19 136.00(17) . . ?
O31 V9 O1 102.2(2) . . ?
O31 V9 O7 100.95(19) . . ?
O31 V9 O9 99.5(2) . 2_565 ?
O31 V9 O34 103.9(2) . . ?
O31 V9 O57 174.65(19) . 2_565 ?
O34 V9 V7 133.27(14) . 2_565 ?
O34 V9 V10 82.57(13) . . ?
O34 V9 V19 32.26(13) . . ?
O34 V9 O1 93.95(18) . . ?
O34 V9 O7 91.19(17) . . ?
O34 V9 O9 155.61(17) . 2_565 ?
O34 V9 O57 81.04(16) . 2_565 ?
O57 V9 V7 84.98(10) 2_565 2_565 ?
O57 V9 V10 47.38(9) 2_565 . ?
O57 V9 V19 49.06(9) 2_565 . ?
V2 V10 V9 62.17(3) 2_565 . ?
V2 V10 V19 92.49(3) 2_565 . ?
V19 V10 V9 60.12(3) . . ?
O1 V10 V2 79.39(12) . 2_565 ?
O1 V10 V9 33.05(12) . . ?
O1 V10 V19 84.71(13) . . ?
O1 V10 O21 153.84(17) . . ?
O1 V10 O44 84.23(16) . 2_565 ?
O1 V10 O57 79.20(15) . 2_565 ?
O21 V10 V2 76.82(12) . 2_565 ?
O21 V10 V9 122.89(12) . . ?
O21 V10 V19 85.60(12) . . ?
O21 V10 O44 81.14(17) . 2_565 ?
O21 V10 O57 76.05(15) . 2_565 ?
O28 V10 V2 125.76(13) . 2_565 ?
O28 V10 V9 83.33(13) . . ?
O28 V10 V19 33.40(13) . . ?
O28 V10 O1 93.97(19) . . ?
O28 V10 O21 91.17(18) . . ?
O28 V10 O44 157.00(17) . 2_565 ?
O28 V10 O57 82.60(16) . 2_565 ?
O37 V10 V2 132.37(17) . 2_565 ?
O37 V10 V9 135.64(16) . . ?
O37 V10 V19 135.11(17) . . ?
O37 V10 O1 102.8(2) . . ?
O37 V10 O21 101.2(2) . . ?
O37 V10 O28 101.7(2) . . ?
O37 V10 O44 101.0(2) . 2_565 ?
O37 V10 O57 175.0(2) . 2_565 ?
O44 V10 V2 31.36(10) 2_565 2_565 ?
O44 V10 V9 82.80(11) 2_565 . ?
O44 V10 V19 123.85(11) 2_565 . ?
O44 V10 O57 74.53(14) 2_565 2_565 ?
O57 V10 V2 43.18(9) 2_565 2_565 ?
O57 V10 V9 46.84(9) 2_565 . ?
O57 V10 V19 49.33(9) 2_565 . ?
V4 V11 V1 62.50(3) 2_646 . ?
V4 V11 V20 121.60(4) 2_646 . ?
V20 V11 V1 59.26(3) . . ?
O20 V11 V1 42.32(10) . . ?
O20 V11 V4 84.89(10) . 2_646 ?
O20 V11 V20 48.44(10) . . ?
O22 V11 V1 121.63(12) . . ?
O22 V11 V4 125.12(13) . 2_646 ?
O22 V11 V20 83.92(13) . . ?
O22 V11 O20 79.31(15) . . ?
O22 V11 O30 153.33(16) . . ?
O22 V11 O58 85.83(17) . 2_646 ?
O24 V11 V1 79.18(13) . . ?
O24 V11 V4 134.43(14) . 2_646 ?
O24 V11 V20 34.21(13) . . ?
O24 V11 O20 82.33(16) . . ?
O24 V11 O22 95.05(19) . . ?
O24 V11 O30 93.47(18) . . ?
O24 V11 O58 156.85(17) . 2_646 ?
O30 V11 V1 36.21(11) . . ?
O30 V11 V4 40.97(11) . 2_646 ?
O30 V11 V20 89.12(11) . . ?
O30 V11 O20 76.85(14) . . ?
O30 V11 O58 76.66(15) . 2_646 ?
O45 V11 V1 136.54(16) . . ?
O45 V11 V4 89.03(15) . 2_646 ?
O45 V11 V20 138.54(16) . . ?
O45 V11 O20 172.94(18) . . ?
O45 V11 O22 101.41(19) . . ?
O45 V11 O24 104.5(2) . . ?
O45 V11 O30 100.81(19) . . ?
O45 V11 O58 97.92(19) . 2_646 ?
O58 V11 V1 80.71(11) 2_646 . ?
O58 V11 V4 39.29(11) 2_646 2_646 ?
O58 V11 V20 123.54(11) 2_646 . ?
O58 V11 O20 75.09(14) 2_646 . ?
V3 V12 V16 59.67(3) . . ?
V14 V12 V3 62.35(3) . . ?
V14 V12 V16 121.83(4) . . ?
O8 V12 V3 121.83(13) . . ?
O8 V12 V14 124.84(14) . . ?
O8 V12 V16 83.90(13) . . ?
O8 V12 O10 153.40(18) . . ?
O8 V12 O16 85.12(17) . . ?
O8 V12 O33 78.15(16) . . ?
O10 V12 V3 36.08(11) . . ?
O10 V12 V14 41.13(12) . . ?
O10 V12 V16 89.34(12) . . ?
O10 V12 O16 77.43(16) . . ?
O10 V12 O33 78.16(15) . . ?
O16 V12 V3 81.32(11) . . ?
O16 V12 V14 39.72(11) . . ?
O16 V12 V16 124.01(11) . . ?
O16 V12 O33 75.64(15) . . ?
O25 V12 V3 137.19(16) . . ?
O25 V12 V14 89.61(16) . . ?
O25 V12 V16 138.40(17) . . ?
O25 V12 O8 100.5(2) . . ?
O25 V12 O10 101.55(19) . . ?
O25 V12 O16 97.6(2) . . ?
O25 V12 O26 104.4(2) . . ?
O25 V12 O33 173.1(2) . . ?
O26 V12 V3 79.96(13) . . ?
O26 V12 V14 135.28(14) . . ?
O26 V12 V16 34.27(14) . . ?
O26 V12 O8 94.6(2) . . ?
O26 V12 O10 94.16(18) . . ?
O26 V12 O16 157.71(18) . . ?
O26 V12 O33 82.47(17) . . ?
O33 V12 V3 43.69(10) . . ?
O33 V12 V14 85.74(10) . . ?
O33 V12 V16 48.37(10) . . ?
V6 V13 V16 122.23(4) . . ?
V6 V13 V17 117.90(4) . . ?
V16 V13 V17 59.69(3) . . ?
O13 V13 V6 125.96(14) . . ?
O13 V13 V16 83.80(14) . . ?
O13 V13 V17 32.53(13) . . ?
O13 V13 O27 154.23(17) . . ?
O13 V13 O33 79.12(16) . . ?
O13 V13 O55 86.38(17) . . ?
O19 V13 V6 89.51(17) . . ?
O19 V13 V16 137.26(18) . . ?
O19 V13 V17 133.16(16) . . ?
O19 V13 O13 100.7(2) . . ?
O19 V13 O27 101.59(19) . . ?
O19 V13 O33 174.0(2) . . ?
O19 V13 O36 104.3(2) . . ?
O19 V13 O55 98.8(2) . . ?
O27 V13 V6 41.94(12) . . ?
O27 V13 V16 88.50(12) . . ?
O27 V13 V17 124.46(12) . . ?
O27 V13 O33 77.35(15) . . ?
O27 V13 O55 77.61(16) . . ?
O33 V13 V6 85.81(10) . . ?
O33 V13 V16 48.74(10) . . ?
O33 V13 V17 47.20(10) . . ?
O36 V13 V6 134.89(14) . . ?
O36 V13 V16 33.15(13) . . ?
O36 V13 V17 83.21(13) . . ?
O36 V13 O13 93.87(19) . . ?
O36 V13 O27 92.97(18) . . ?
O36 V13 O33 81.67(16) . . ?
O36 V13 O55 156.35(17) . . ?
O55 V13 V6 39.59(11) . . ?
O55 V13 V16 123.89(11) . . ?
O55 V13 V17 84.46(11) . . ?
O55 V13 O33 75.15(15) . . ?
V12 V14 V8 117.56(4) . . ?
V12 V14 V18 121.78(4) . . ?
V18 V14 V8 59.39(3) . . ?
O2 V14 V8 32.14(12) . . ?
O2 V14 V12 126.09(13) . . ?
O2 V14 V18 83.12(13) . . ?
O2 V14 O3 79.46(16) . . ?
O2 V14 O10 87.26(17) . . ?
O2 V14 O16 154.05(17) . . ?
O3 V14 V8 47.97(9) . . ?
O3 V14 V12 84.29(10) . . ?
O3 V14 V18 49.28(10) . . ?
O10 V14 V8 85.34(11) . . ?
O10 V14 V12 38.83(11) . . ?
O10 V14 V18 124.34(11) . . ?
O10 V14 O3 75.06(15) . . ?
O16 V14 V8 124.51(12) . . ?
O16 V14 V12 41.65(12) . . ?
O16 V14 V18 88.75(12) . . ?
O16 V14 O3 76.59(15) . . ?
O16 V14 O10 77.09(16) . . ?
O17 V14 V8 133.78(16) . . ?
O17 V14 V12 90.26(16) . . ?
O17 V14 V18 136.64(17) . . ?
O17 V14 O2 101.8(2) . . ?
O17 V14 O3 173.9(2) . . ?
O17 V14 O10 99.0(2) . . ?
O17 V14 O16 101.05(19) . . ?
O17 V14 O18 104.0(2) . . ?
O18 V14 V8 83.54(14) . . ?
O18 V14 V12 133.60(14) . . ?
O18 V14 V18 32.97(13) . . ?
O18 V14 O2 94.36(19) . . ?
O18 V14 O3 81.81(17) . . ?
O18 V14 O10 156.12(18) . . ?
O18 V14 O16 92.00(18) . . ?
V1 V15 V20 92.45(3) 2_646 . ?
O15 V15 V1 79.30(12) . 2_646 ?
O15 V15 V20 84.18(13) . . ?
O15 V15 O20 78.27(15) . . ?
O15 V15 O22 154.14(17) . . ?
O15 V15 O40 84.70(17) . 2_646 ?
O20 V15 V1 43.81(9) . 2_646 ?
O20 V15 V20 48.65(9) . . ?
O22 V15 V1 78.28(12) . 2_646 ?
O22 V15 V20 84.06(13) . . ?
O22 V15 O20 76.66(15) . . ?
O22 V15 O40 82.83(17) . 2_646 ?
O23 V15 V1 125.34(13) . 2_646 ?
O23 V15 V20 32.94(12) . . ?
O23 V15 O15 92.74(18) . . ?
O23 V15 O20 81.54(15) . . ?
O23 V15 O22 89.80(18) . . ?
O23 V15 O40 156.50(17) . 2_646 ?
O40 V15 V1 31.26(10) 2_646 2_646 ?
O40 V15 V20 123.71(11) 2_646 . ?
O40 V15 O20 75.06(14) 2_646 . ?
O41 V15 V1 132.46(18) . 2_646 ?
O41 V15 V20 135.08(18) . . ?
O41 V15 O15 102.8(2) . . ?
O41 V15 O20 176.1(2) . . ?
O41 V15 O22 101.8(2) . . ?
O41 V15 O23 102.1(2) . . ?
O41 V15 O40 101.2(2) . 2_646 ?
V3 V16 V12 59.84(3) . . ?
V3 V16 V13 61.15(3) . . ?
V13 V16 V12 92.24(4) . . ?
V17 V16 V3 91.10(4) . . ?
V17 V16 V12 62.49(3) . . ?
V17 V16 V13 60.37(3) . . ?
O4 V16 V3 30.60(11) . . ?
O4 V16 V12 79.17(12) . . ?
O4 V16 V13 80.59(12) . . ?
O4 V16 V17 121.70(12) . . ?
O4 V16 O33 74.32(15) . . ?
O26 V16 V3 78.23(13) . . ?
O26 V16 V12 31.36(13) . . ?
O26 V16 V13 123.44(13) . . ?
O26 V16 V17 84.70(14) . . ?
O26 V16 O4 83.08(17) . . ?
O26 V16 O33 76.59(16) . . ?
O33 V16 V3 43.72(9) . . ?
O33 V16 V12 45.39(10) . . ?
O33 V16 V13 46.87(10) . . ?
O33 V16 V17 47.40(10) . . ?
O35 V16 V3 124.30(14) . . ?
O35 V16 V12 82.25(13) . . ?
O35 V16 V13 83.38(14) . . ?
O35 V16 V17 33.30(14) . . ?
O35 V16 O4 154.86(18) . . ?
O35 V16 O26 89.81(19) . . ?
O35 V16 O33 80.59(17) . . ?
O35 V16 O36 91.98(19) . . ?
O36 V16 V3 79.84(13) . . ?
O36 V16 V12 124.02(13) . . ?
O36 V16 V13 32.01(13) . . ?
O36 V16 V17 82.97(13) . . ?
O36 V16 O4 84.60(17) . . ?
O36 V16 O26 154.55(18) . . ?
O36 V16 O33 78.67(16) . . ?
O46 V16 V3 131.18(19) . . ?
O46 V16 V12 132.03(18) . . ?
O46 V16 V13 135.45(18) . . ?
O46 V16 V17 137.69(19) . . ?
O46 V16 O4 100.6(2) . . ?
O46 V16 O26 100.7(2) . . ?
O46 V16 O33 174.4(2) . . ?
O46 V16 O35 104.4(2) . . ?
O46 V16 O36 103.4(2) . . ?
V5 V17 V13 62.88(3) . . ?
V5 V17 V16 92.72(4) . . ?
V16 V17 V13 59.94(3) . . ?
O8 V17 V5 77.46(12) . . ?
O8 V17 V13 122.92(12) . . ?
O8 V17 V16 84.42(14) . . ?
O8 V17 O33 76.16(15) . . ?
O8 V17 O47 81.68(17) . . ?
O13 V17 V5 80.47(14) . . ?
O13 V17 V13 33.53(12) . . ?
O13 V17 V16 84.80(14) . . ?
O13 V17 O8 154.89(18) . . ?
O13 V17 O33 79.67(16) . . ?
O13 V17 O35 93.6(2) . . ?
O13 V17 O47 85.75(18) . . ?
O33 V17 V5 43.89(10) . . ?
O33 V17 V13 46.76(10) . . ?
O33 V17 V16 48.83(10) . . ?
O35 V17 V5 125.58(14) . . ?
O35 V17 V13 82.78(13) . . ?
O35 V17 V16 33.01(13) . . ?
O35 V17 O8 89.62(19) . . ?
O35 V17 O33 81.73(16) . . ?
O35 V17 O47 156.79(18) . . ?
O43 V17 V5 132.63(19) . . ?
O43 V17 V13 136.70(18) . . ?
O43 V17 V16 134.53(19) . . ?
O43 V17 O8 100.3(2) . . ?
O43 V17 O13 103.4(2) . . ?
O43 V17 O33 175.3(2) . . ?
O43 V17 O35 101.5(2) . . ?
O43 V17 O47 101.2(2) . . ?
O47 V17 V5 31.45(11) . . ?
O47 V17 V13 84.00(12) . . ?
O47 V17 V16 124.15(12) . . ?
O47 V17 O33 75.32(15) . . ?
V5 V18 V6 60.63(3) . . ?
V8 V18 V5 91.33(4) . . ?
V8 V18 V6 61.85(3) . . ?
V8 V18 V14 60.89(3) . . ?
V14 V18 V5 60.90(3) . . ?
V14 V18 V6 92.37(4) . . ?
O3 V18 V5 42.84(9) . . ?
O3 V18 V6 46.09(9) . . ?
O3 V18 V8 48.49(9) . . ?
O3 V18 V14 46.37(9) . . ?
O5 V18 V5 124.46(14) . . ?
O5 V18 V6 82.01(14) . . ?
O5 V18 V8 33.17(13) . . ?
O5 V18 V14 83.27(14) . . ?
O5 V18 O3 81.63(16) . . ?
O5 V18 O14 90.52(19) . . ?
O5 V18 O18 92.63(19) . . ?
O5 V18 O50 155.36(18) . . ?
O14 V18 V5 78.25(13) . . ?
O14 V18 V6 31.34(13) . . ?
O14 V18 V8 84.59(13) . . ?
O14 V18 V14 123.42(13) . . ?
O14 V18 O3 77.06(16) . . ?
O14 V18 O50 82.92(18) . . ?
O18 V18 V5 78.48(13) . . ?
O18 V18 V6 123.66(13) . . ?
O18 V18 V8 83.89(14) . . ?
O18 V18 V14 31.63(13) . . ?
O18 V18 O3 77.59(16) . . ?
O18 V18 O14 153.70(19) . . ?
O18 V18 O50 83.41(18) . . ?
O50 V18 V5 30.93(12) . . ?
O50 V18 V6 80.11(12) . . ?
O50 V18 V8 122.26(12) . . ?
O50 V18 V14 80.69(12) . . ?
O50 V18 O3 73.77(15) . . ?
O53 V18 V5 131.17(18) . . ?
O53 V18 V6 132.78(19) . . ?
O53 V18 V8 137.49(18) . . ?
O53 V18 V14 134.62(18) . . ?
O53 V18 O3 173.9(2) . . ?
O53 V18 O5 104.3(2) . . ?
O53 V18 O14 101.5(2) . . ?
O53 V18 O18 103.0(2) . . ?
O53 V18 O50 100.2(2) . . ?
V2 V19 V7 60.02(3) . . ?
V2 V19 V9 61.60(3) . . ?
V9 V19 V7 92.05(3) . . ?
V10 V19 V2 91.65(3) . . ?
V10 V19 V7 62.24(3) . . ?
V10 V19 V9 60.37(3) . . ?
O28 V19 V2 124.31(13) . . ?
O28 V19 V7 81.61(13) . . ?
O28 V19 V9 83.11(13) . . ?
O28 V19 V10 32.78(13) . . ?
O28 V19 O39 88.39(18) . . ?
O28 V19 O51 154.99(17) . . ?
O28 V19 O57 80.29(16) . 2_565 ?
O34 V19 V2 79.89(13) . . ?
O34 V19 V7 123.88(13) . . ?
O34 V19 V9 32.10(13) . . ?
O34 V19 V10 83.24(13) . . ?
O34 V19 O28 92.29(19) . . ?
O34 V19 O39 154.47(18) . . ?
O34 V19 O51 85.58(17) . . ?
O34 V19 O57 78.67(15) . 2_565 ?
O39 V19 V2 78.70(12) . . ?
O39 V19 V7 31.15(12) . . ?
O39 V19 V9 123.12(12) . . ?
O39 V19 V10 83.62(12) . . ?
O39 V19 O51 83.16(17) . . ?
O39 V19 O57 76.29(15) . 2_565 ?
O49 V19 V2 131.34(17) . . ?
O49 V19 V7 131.86(18) . . ?
O49 V19 V9 135.92(18) . . ?
O49 V19 V10 136.96(17) . . ?
O49 V19 O28 104.2(2) . . ?
O49 V19 O34 103.8(2) . . ?
O49 V19 O39 100.7(2) . . ?
O49 V19 O51 100.5(2) . . ?
O49 V19 O57 174.6(2) . 2_565 ?
O51 V19 V2 30.84(11) . . ?
O51 V19 V7 79.00(11) . . ?
O51 V19 V9 81.95(11) . . ?
O51 V19 V10 122.48(11) . . ?
O51 V19 O57 74.85(14) . 2_565 ?
O57 V19 V2 44.03(9) 2_565 . ?
O57 V19 V7 45.24(9) 2_565 . ?
O57 V19 V9 46.83(9) 2_565 . ?
O57 V19 V10 47.63(9) 2_565 . ?
V1 V20 V4 60.89(3) . . ?
V1 V20 V11 60.65(3) . . ?
V1 V20 V15 91.34(3) . . ?
V4 V20 V11 92.48(3) . . ?
V15 V20 V4 60.91(3) . . ?
V15 V20 V11 61.96(3) . . ?
O11 V20 V1 79.23(12) . . ?
O11 V20 V4 31.90(12) . . ?
O11 V20 V11 124.14(13) . . ?
O11 V20 V15 83.60(12) . . ?
O11 V20 O20 78.19(15) . . ?
O11 V20 O24 154.75(17) . . ?
O11 V20 O32 84.04(17) . . ?
O20 V20 V1 43.05(9) . . ?
O20 V20 V4 46.58(9) . . ?
O20 V20 V11 45.97(9) . . ?
O20 V20 V15 48.29(9) . . ?
O23 V20 V1 124.52(13) . . ?
O23 V20 V4 83.42(13) . . ?
O23 V20 V11 82.02(13) . . ?
O23 V20 V15 33.23(13) . . ?
O23 V20 O11 92.13(18) . . ?
O23 V20 O20 81.47(16) . . ?
O23 V20 O24 90.22(18) . . ?
O23 V20 O32 155.44(17) . . ?
O24 V20 V1 78.76(12) . . ?
O24 V20 V4 123.89(12) . . ?
O24 V20 V11 31.65(12) . . ?
O24 V20 V15 84.69(13) . . ?
O24 V20 O20 77.32(15) . . ?
O24 V20 O32 83.45(17) . . ?
O32 V20 V1 30.94(11) . . ?
O32 V20 V4 80.58(11) . . ?
O32 V20 V11 80.19(12) . . ?
O32 V20 V15 122.28(11) . . ?
O32 V20 O20 73.99(14) . . ?
O48 V20 V1 131.55(17) . . ?
O48 V20 V4 134.80(17) . . ?
O48 V20 V11 132.53(17) . . ?
O48 V20 V15 137.10(17) . . ?
O48 V20 O11 102.9(2) . . ?
O48 V20 O20 174.4(2) . . ?
O48 V20 O23 103.9(2) . . ?
O48 V20 O24 100.9(2) . . ?
O48 V20 O32 100.6(2) . . ?
V10 O1 V9 114.2(2) . . ?
V8 O2 V14 115.4(2) . . ?
V3 O3 V5 102.78(16) . . ?
V3 O3 V6 95.57(14) . . ?
V3 O3 V8 87.20(14) . . ?
V3 O3 V14 94.00(15) . . ?
V3 O3 V18 169.43(19) . . ?
V5 O3 V6 91.92(14) . . ?
V5 O3 V8 170.0(2) . . ?
V5 O3 V14 92.04(14) . . ?
V5 O3 V18 87.72(14) . . ?
V6 O3 V8 88.07(13) . . ?
V6 O3 V18 85.11(13) . . ?
V8 O3 V18 82.28(12) . . ?
V14 O3 V6 168.57(19) . . ?
V14 O3 V8 86.18(13) . . ?
V14 O3 V18 84.34(13) . . ?
V3 O4 V16 112.1(2) . . ?
V18 O5 V8 114.2(2) . . ?
V2 O7 V7 107.03(18) . 2_565 ?
V2 O7 V9 108.92(18) . . ?
V9 O7 V7 98.08(16) . 2_565 ?
V12 O8 V17 113.0(2) . . ?
V2 O9 V7 107.04(18) . . ?
V2 O9 V9 107.65(17) . 2_565 ?
V7 O9 V9 100.31(17) . 2_565 ?
V3 O10 V12 107.08(18) . . ?
V3 O10 V14 107.48(18) . . ?
V12 O10 V14 100.04(18) . . ?
V4 O11 V20 114.7(2) . . ?
V17 O13 V13 113.9(2) . . ?
V6 O14 V18 115.0(2) . . ?
V15 O15 V4 114.7(2) . . ?
V5 O16 V12 107.13(18) . . ?
V5 O16 V14 107.06(18) . . ?
V14 O16 V12 98.64(18) . . ?
V14 O18 V18 115.4(2) . . ?
V1 O20 V1 101.89(15) . 2_646 ?
V1 O20 V4 91.60(14) . . ?
V1 O20 V4 93.87(14) 2_646 . ?
V1 O20 V11 91.89(14) . . ?
V1 O20 V11 94.94(14) 2_646 . ?
V1 O20 V15 170.77(19) . . ?
V1 O20 V15 87.23(13) 2_646 . ?
V1 O20 V20 87.80(13) . . ?
V1 O20 V20 170.26(19) 2_646 . ?
V4 O20 V15 86.35(13) . . ?
V4 O20 V20 84.81(13) . . ?
V11 O20 V4 169.65(19) . . ?
V11 O20 V15 88.65(13) . . ?
V11 O20 V20 85.59(13) . . ?
V15 O20 V20 83.05(12) . . ?
V7 O21 V10 113.2(2) . . ?
V11 O22 V15 113.87(19) . . ?
V20 O23 V15 113.8(2) . . ?
V11 O24 V20 114.1(2) . . ?
V12 O26 V16 114.4(2) . . ?
V3 O27 V6 107.68(18) . . ?
V13 O27 V3 108.08(18) . . ?
V13 O27 V6 98.84(17) . . ?
V10 O28 V19 113.8(2) . . ?
V1 O30 V4 108.09(17) . 2_646 ?
V1 O30 V11 106.82(17) . . ?
V11 O30 V4 99.71(17) . 2_646 ?
V1 O32 V20 111.0(2) . . ?
V3 O33 V12 90.42(15) . . ?
V3 O33 V13 91.04(14) . . ?
V3 O33 V16 87.30(14) . . ?
V3 O33 V17 170.8(2) . . ?
V5 O33 V3 101.14(16) . . ?
V5 O33 V12 94.86(15) . . ?
V5 O33 V13 94.13(15) . . ?
V5 O33 V16 171.5(2) . . ?
V5 O33 V17 87.76(14) . . ?
V12 O33 V13 170.4(2) . . ?
V12 O33 V16 86.24(14) . . ?
V12 O33 V17 91.05(14) . . ?
V13 O33 V16 84.39(13) . . ?
V13 O33 V17 86.05(13) . . ?
V17 O33 V16 83.77(13) . . ?
V9 O34 V19 115.6(2) . . ?
V16 O35 V17 113.7(2) . . ?
V13 O36 V16 114.8(2) . . ?
V6 O38 V8 115.4(2) . . ?
V7 O39 V19 114.4(2) . . ?
V1 O40 V15 110.10(19) . 2_646 ?
V3 O42 V8 109.1(2) . . ?
V2 O44 V10 108.54(19) . 2_565 ?
V5 O47 V17 109.4(2) . . ?
V5 O50 V18 110.8(2) . . ?
V2 O51 V19 111.7(2) . . ?
C12 N1 C3 113.6(7) . . ?
V5 O55 V6 107.13(18) . . ?
V5 O55 V13 108.73(19) . . ?
V6 O55 V13 99.45(17) . . ?
C1 N2 C7 112.6(6) . . ?
C11 N3 C2 113.4(6) . . ?
C9 N4 C4 114.0(6) . . ?
C8 N5 C10 115.1(7) . . ?
C16 N6 C13 115.9(9) . . ?
C6 N7 C5 114.0(6) . . ?
C14 N8 C15 111.4(9) . . ?
N8 C15 O64 165.3(10) . . ?
V2 O57 V2 101.80(15) . 2_565 ?
V2 O57 V7 95.73(15) . 2_565 ?
V2 O57 V7 90.53(14) 2_565 2_565 ?
V2 O57 V9 91.47(14) 2_565 2_565 ?
V2 O57 V9 93.56(14) . 2_565 ?
V2 O57 V10 88.50(14) . 2_565 ?
V2 O57 V10 169.50(19) 2_565 2_565 ?
V2 O57 V19 86.60(13) 2_565 2_565 ?
V2 O57 V19 171.36(19) . 2_565 ?
V7 O57 V9 169.89(19) 2_565 2_565 ?
V7 O57 V10 90.47(13) 2_565 2_565 ?
V7 O57 V19 86.12(13) 2_565 2_565 ?
V9 O57 V10 85.78(13) 2_565 2_565 ?
V9 O57 V19 84.11(12) 2_565 2_565 ?
V10 O57 V19 83.04(12) 2_565 2_565 ?
V1 O58 V4 107.13(17) . . ?
V1 O58 V11 107.85(17) . 2_646 ?
V4 O58 V11 99.16(17) . 2_646 ?
C17 N9 C20 116.3(11) . . ?
N11 C18 C21 72.6(19) . . ?
C22 C18 N11 29(2) . . ?
C22 C18 C21 44(3) . . ?
C18 N11 C21 69(2) . . ?
C22 N11 C18 70(3) . . ?
C22 N11 C21 9(3) . . ?
C18 C21 N11 38.5(10) . . ?
C22 C21 C18 39.2(18) . . ?
C22 C21 N11 4.0(12) . . ?
C18 C22 C21 97(4) . . ?
N11 C22 C18 81(4) . . ?
N11 C22 C21 167(4) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
