# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2017

####################################################################### 
# 
# 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_ydkr
_database_code_depnum_ccdc_archive 'CCDC 1581419'
_audit_update_record             
;
2017-10-23 deposited with the CCDC.
2018-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H34 B20'
_chemical_formula_weight         562.73

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.1876(12)
_cell_length_b                   10.559(2)
_cell_length_c                   10.841(2)
_cell_angle_alpha                77.421(5)
_cell_angle_beta                 88.462(6)
_cell_angle_gamma                76.313(5)
_cell_volume                     780.0(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3008
_cell_measurement_theta_min      3.09
_cell_measurement_theta_max      27.49

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_F_000             290
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.058
_shelx_estimated_absorpt_T_min   0.966
_shelx_estimated_absorpt_T_max   0.994
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID-F'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7361
_diffrn_reflns_av_unetI/netI     0.2187
_diffrn_reflns_av_R_equivalents  0.1582
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.091
_diffrn_reflns_theta_max         27.476
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             3566
_reflns_number_gt                1677
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1219P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3566
_refine_ls_number_parameters     252
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2093
_refine_ls_R_factor_gt           0.1011
_refine_ls_wR_factor_ref         0.2833
_refine_ls_wR_factor_gt          0.2201
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C001 C 0.1105(5) 0.4205(4) 0.4228(4) 0.0219(9) Uani 1 1 d . . . . .
C002 C 0.1832(5) 0.4234(4) 0.5406(4) 0.0202(9) Uani 1 1 d . . . . .
C003 C 0.7020(5) 0.2427(4) 0.7142(4) 0.0220(9) Uani 1 1 d . . . . .
C004 C 0.3686(6) 0.3523(4) 0.5943(4) 0.0248(10) Uani 1 1 d . . . . .
C005 C 0.5186(6) 0.3013(4) 0.6486(4) 0.0234(10) Uani 1 1 d . . . . .
C006 C -0.0700(5) 0.4982(4) 0.3853(4) 0.0248(10) Uani 1 1 d . . . . .
H1 H -0.1182 0.4981 0.3066 0.030 Uiso 1 1 calc R U . . .
C007 C 0.7140(6) 0.2305(4) 0.8433(4) 0.0271(10) Uani 1 1 d . . . . .
H2 H 0.6043 0.2574 0.8876 0.033 Uiso 1 1 calc R U . . .
C008 C 0.8664(6) 0.2004(4) 0.6479(4) 0.0268(10) Uani 1 1 d . . . . .
H3 H 0.8592 0.2077 0.5610 0.032 Uiso 1 1 calc R U . . .
C009 C 1.0386(6) 0.1478(4) 0.7128(4) 0.0317(11) Uani 1 1 d . . . . .
H4 H 1.1487 0.1194 0.6696 0.038 Uiso 1 1 calc R U . . .
C00A C 0.8900(6) 0.1778(4) 0.9073(4) 0.0310(11) Uani 1 1 d . . . . .
H5 H 0.8982 0.1707 0.9941 0.037 Uiso 1 1 calc R U . . .
C00B C 0.2197(5) 0.3409(4) 0.3311(4) 0.0231(10) Uani 1 1 d . . . . .
C10 C 0.4004(6) 0.2136(4) 0.3823(4) 0.0271(10) Uani 1 1 d . . . . .
H11 H 0.420(6) 0.186(4) 0.481(4) 0.041(13) Uiso 1 1 d . . . . .
C00D C 1.0494(6) 0.1370(4) 0.8431(4) 0.0324(11) Uani 1 1 d . . . . .
H6 H 1.1667 0.1015 0.8861 0.039 Uiso 1 1 calc R U . . .
B00E B 0.4184(7) 0.0876(5) 0.3042(5) 0.0276(12) Uani 1 1 d . . . . .
H0 H 0.458(5) -0.017(4) 0.362(3) 0.010(9) Uiso 1 1 d . . . . .
B00F B 0.2583(7) 0.4168(5) 0.1801(4) 0.0245(11) Uani 1 1 d . . . . .
H7 H 0.198(6) 0.531(5) 0.153(4) 0.042(13) Uiso 1 1 d . . . . .
B00G B 0.4673(7) 0.1577(5) 0.1487(5) 0.0262(11) Uani 1 1 d . . . . .
H8 H 0.556(6) 0.098(5) 0.092(4) 0.047(13) Uiso 1 1 d . . . . .
B00H B 0.1910(7) 0.1780(5) 0.3439(5) 0.0260(11) Uani 1 1 d . . . . .
H14 H 0.110(5) 0.147(4) 0.412(4) 0.036(12) Uiso 1 1 d . . . . .
B00I B 0.4469(7) 0.3575(5) 0.2938(5) 0.0250(11) Uani 1 1 d . . . . .
H12 H 0.500(6) 0.406(5) 0.353(4) 0.050(14) Uiso 1 1 d . . . . .
B00J B 0.4861(7) 0.3247(6) 0.1414(5) 0.0297(12) Uani 1 1 d . . . . .
H16 H 0.572(6) 0.369(4) 0.086(4) 0.033(12) Uiso 1 1 d . . . . .
B00K B 0.5750(7) 0.1962(5) 0.2767(5) 0.0270(12) Uani 1 1 d . . . . .
H15 H 0.711(6) 0.148(4) 0.325(4) 0.031(11) Uiso 1 1 d . . . . .
B00L B 0.1022(7) 0.3060(5) 0.2093(5) 0.0274(12) Uani 1 1 d . . . . .
H10 H -0.055(7) 0.346(5) 0.198(5) 0.067(16) Uiso 1 1 d . . . . .
B00M B 0.2689(7) 0.2952(5) 0.0886(5) 0.0286(12) Uani 1 1 d . . . . .
H13 H 0.226(6) 0.343(5) -0.029(4) 0.047(13) Uiso 1 1 d . . . . .
B00N B 0.2302(7) 0.1474(5) 0.1900(4) 0.0267(12) Uani 1 1 d . . . . .
H9 H 0.162(5) 0.078(4) 0.159(4) 0.028(11) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C001 C006 1.378(5) . ?
C001 C002 1.403(5) . ?
C001 C00B 1.523(6) . ?
C002 C006 1.389(5) 2_566 ?
C002 C004 1.434(5) . ?
C003 C007 1.381(5) . ?
C003 C008 1.399(5) . ?
C003 C005 1.448(5) . ?
C004 C005 1.192(5) . ?
C006 C002 1.389(5) 2_566 ?
C006 H1 0.9300 . ?
C007 C00A 1.392(5) . ?
C007 H2 0.9300 . ?
C008 C009 1.374(5) . ?
C008 H3 0.9300 . ?
C009 C00D 1.394(6) . ?
C009 H4 0.9300 . ?
C00A C00D 1.356(6) . ?
C00A H5 0.9300 . ?
C00B C10 1.640(6) . ?
C00B B00F 1.706(6) . ?
C00B B00I 1.712(6) . ?
C00B B00L 1.735(6) . ?
C00B B00H 1.755(6) . ?
C10 B00K 1.681(7) . ?
C10 B00E 1.705(6) . ?
C10 B00I 1.711(7) . ?
C10 B00H 1.717(6) . ?
C10 H11 1.05(4) . ?
C00D H6 0.9300 . ?
B00E B00G 1.750(7) . ?
B00E B00N 1.762(7) . ?
B00E B00K 1.765(7) . ?
B00E B00H 1.781(7) . ?
B00E H0 1.12(3) . ?
B00F B00I 1.762(7) . ?
B00F B00M 1.773(7) . ?
B00F B00L 1.780(7) . ?
B00F B00J 1.786(7) . ?
B00F H7 1.15(4) . ?
B00G B00N 1.773(7) . ?
B00G B00K 1.773(7) . ?
B00G B00J 1.785(7) . ?
B00G B00M 1.795(7) . ?
B00G H8 1.06(5) . ?
B00H B00N 1.770(7) . ?
B00H B00L 1.773(7) . ?
B00H H14 0.97(4) . ?
B00I B00J 1.763(7) . ?
B00I B00K 1.781(7) . ?
B00I H12 1.03(4) . ?
B00J B00K 1.782(7) . ?
B00J B00M 1.794(7) . ?
B00J H16 0.98(4) . ?
B00K H15 1.07(4) . ?
B00L B00M 1.754(8) . ?
B00L B00N 1.762(7) . ?
B00L H10 1.11(5) . ?
B00M B00N 1.779(7) . ?
B00M H13 1.28(4) . ?
B00N H9 1.09(4) . ?

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
C006 C001 C002 117.9(4) . . ?
C006 C001 C00B 117.5(3) . . ?
C002 C001 C00B 124.5(4) . . ?
C006 C002 C001 118.9(4) 2_566 . ?
C006 C002 C004 115.1(3) 2_566 . ?
C001 C002 C004 126.0(4) . . ?
C007 C003 C008 120.0(4) . . ?
C007 C003 C005 119.3(4) . . ?
C008 C003 C005 120.7(4) . . ?
C005 C004 C002 172.9(4) . . ?
C004 C005 C003 178.5(4) . . ?
C001 C006 C002 123.2(3) . 2_566 ?
C001 C006 H1 118.4 . . ?
C002 C006 H1 118.4 2_566 . ?
C003 C007 C00A 120.0(4) . . ?
C003 C007 H2 120.0 . . ?
C00A C007 H2 120.0 . . ?
C009 C008 C003 119.1(4) . . ?
C009 C008 H3 120.4 . . ?
C003 C008 H3 120.4 . . ?
C008 C009 C00D 120.4(4) . . ?
C008 C009 H4 119.8 . . ?
C00D C009 H4 119.8 . . ?
C00D C00A C007 120.0(4) . . ?
C00D C00A H5 120.0 . . ?
C007 C00A H5 120.0 . . ?
C001 C00B C10 120.2(3) . . ?
C001 C00B B00F 121.3(3) . . ?
C10 C00B B00F 109.7(3) . . ?
C001 C00B B00I 118.1(3) . . ?
C10 C00B B00I 61.4(3) . . ?
B00F C00B B00I 62.1(3) . . ?
C001 C00B B00L 121.4(3) . . ?
C10 C00B B00L 108.3(3) . . ?
B00F C00B B00L 62.3(3) . . ?
B00I C00B B00L 112.9(3) . . ?
C001 C00B B00H 117.2(3) . . ?
C10 C00B B00H 60.7(3) . . ?
B00F C00B B00H 113.0(3) . . ?
B00I C00B B00H 113.6(3) . . ?
B00L C00B B00H 61.1(3) . . ?
C00B C10 B00K 113.0(4) . . ?
C00B C10 B00E 113.1(3) . . ?
B00K C10 B00E 62.8(3) . . ?
C00B C10 B00I 61.4(3) . . ?
B00K C10 B00I 63.3(3) . . ?
B00E C10 B00I 115.1(4) . . ?
C00B C10 B00H 63.0(3) . . ?
B00K C10 B00H 115.6(3) . . ?
B00E C10 B00H 62.7(3) . . ?
B00I C10 B00H 115.6(3) . . ?
C00B C10 H11 115(2) . . ?
B00K C10 H11 126(2) . . ?
B00E C10 H11 117(2) . . ?
B00I C10 H11 123(2) . . ?
B00H C10 H11 108(2) . . ?
C00A C00D C009 120.4(4) . . ?
C00A C00D H6 119.8 . . ?
C009 C00D H6 119.8 . . ?
C10 B00E B00G 104.3(4) . . ?
C10 B00E B00N 104.4(3) . . ?
B00G B00E B00N 60.6(3) . . ?
C10 B00E B00K 57.9(3) . . ?
B00G B00E B00K 60.6(3) . . ?
B00N B00E B00K 108.9(4) . . ?
C10 B00E B00H 59.0(3) . . ?
B00G B00E B00H 108.8(4) . . ?
B00N B00E B00H 59.9(3) . . ?
B00K B00E B00H 108.4(4) . . ?
C10 B00E H0 117.4(17) . . ?
B00G B00E H0 132.1(18) . . ?
B00N B00E H0 124.0(16) . . ?
B00K B00E H0 124.2(16) . . ?
B00H B00E H0 112.3(18) . . ?
C00B B00F B00I 59.1(3) . . ?
C00B B00F B00M 105.7(3) . . ?
B00I B00F B00M 108.3(4) . . ?
C00B B00F B00L 59.6(3) . . ?
B00I B00F B00L 108.4(4) . . ?
B00M B00F B00L 59.2(3) . . ?
C00B B00F B00J 105.4(3) . . ?
B00I B00F B00J 59.6(3) . . ?
B00M B00F B00J 60.5(3) . . ?
B00L B00F B00J 107.6(4) . . ?
C00B B00F H7 116(2) . . ?
B00I B00F H7 116.8(19) . . ?
B00M B00F H7 130(2) . . ?
B00L B00F H7 121(2) . . ?
B00J B00F H7 127(2) . . ?
B00E B00G B00N 60.0(3) . . ?
B00E B00G B00K 60.1(3) . . ?
B00N B00G B00K 108.0(4) . . ?
B00E B00G B00J 108.5(4) . . ?
B00N B00G B00J 108.3(4) . . ?
B00K B00G B00J 60.1(3) . . ?
B00E B00G B00M 107.8(4) . . ?
B00N B00G B00M 59.8(3) . . ?
B00K B00G B00M 107.8(4) . . ?
B00J B00G B00M 60.1(3) . . ?
B00E B00G H8 120(3) . . ?
B00N B00G H8 124(2) . . ?
B00K B00G H8 119(2) . . ?
B00J B00G H8 121(3) . . ?
B00M B00G H8 125(2) . . ?
C10 B00H C00B 56.3(2) . . ?
C10 B00H B00N 103.6(4) . . ?
C00B B00H B00N 104.8(4) . . ?
C10 B00H B00L 103.3(4) . . ?
C00B B00H B00L 58.9(3) . . ?
B00N B00H B00L 59.7(3) . . ?
C10 B00H B00E 58.3(3) . . ?
C00B B00H B00E 104.2(3) . . ?
B00N B00H B00E 59.5(3) . . ?
B00L B00H B00E 106.9(4) . . ?
C10 B00H H14 119(2) . . ?
C00B B00H H14 116(3) . . ?
B00N B00H H14 132(2) . . ?
B00L B00H H14 123(2) . . ?
B00E B00H H14 127(2) . . ?
C10 B00I C00B 57.2(2) . . ?
C10 B00I B00F 104.0(3) . . ?
C00B B00I B00F 58.8(2) . . ?
C10 B00I B00J 104.0(3) . . ?
C00B B00I B00J 106.1(3) . . ?
B00F B00I B00J 60.9(3) . . ?
C10 B00I B00K 57.5(3) . . ?
C00B B00I B00K 104.9(3) . . ?
B00F B00I B00K 108.5(3) . . ?
B00J B00I B00K 60.4(3) . . ?
C10 B00I H12 109(3) . . ?
C00B B00I H12 112(3) . . ?
B00F B00I H12 130(3) . . ?
B00J B00I H12 139(3) . . ?
B00K B00I H12 120(2) . . ?
B00I B00J B00K 60.3(3) . . ?
B00I B00J B00G 107.9(4) . . ?
B00K B00J B00G 59.6(3) . . ?
B00I B00J B00F 59.5(3) . . ?
B00K B00J B00F 107.3(4) . . ?
B00G B00J B00F 107.5(4) . . ?
B00I B00J B00M 107.3(4) . . ?
B00K B00J B00M 107.5(4) . . ?
B00G B00J B00M 60.2(3) . . ?
B00F B00J B00M 59.4(3) . . ?
B00I B00J H16 118(2) . . ?
B00K B00J H16 121(2) . . ?
B00G B00J H16 125(3) . . ?
B00F B00J H16 121(3) . . ?
B00M B00J H16 124(2) . . ?
C10 B00K B00E 59.3(3) . . ?
C10 B00K B00G 104.4(3) . . ?
B00E B00K B00G 59.3(3) . . ?
C10 B00K B00I 59.2(3) . . ?
B00E B00K B00I 108.8(4) . . ?
B00G B00K B00I 107.7(3) . . ?
C10 B00K B00J 104.5(3) . . ?
B00E B00K B00J 107.9(3) . . ?
B00G B00K B00J 60.3(3) . . ?
B00I B00K B00J 59.3(3) . . ?
C10 B00K H15 110(2) . . ?
B00E B00K H15 110(2) . . ?
B00G B00K H15 129(2) . . ?
B00I B00K H15 122(2) . . ?
B00J B00K H15 138(2) . . ?
C00B B00L B00M 105.3(3) . . ?
C00B B00L B00N 106.0(3) . . ?
B00M B00L B00N 60.8(3) . . ?
C00B B00L B00H 60.0(3) . . ?
B00M B00L B00H 109.1(4) . . ?
B00N B00L B00H 60.1(3) . . ?
C00B B00L B00F 58.0(2) . . ?
B00M B00L B00F 60.2(3) . . ?
B00N B00L B00F 108.7(4) . . ?
B00H B00L B00F 108.6(3) . . ?
C00B B00L H10 118(3) . . ?
B00M B00L H10 127(3) . . ?
B00N B00L H10 126(3) . . ?
B00H B00L H10 118(3) . . ?
B00F B00L H10 120(3) . . ?
B00L B00M B00F 60.6(3) . . ?
B00L B00M B00N 59.9(3) . . ?
B00F B00M B00N 108.3(4) . . ?
B00L B00M B00J 108.4(3) . . ?
B00F B00M B00J 60.1(3) . . ?
B00N B00M B00J 107.7(4) . . ?
B00L B00M B00G 107.4(4) . . ?
B00F B00M B00G 107.6(3) . . ?
B00N B00M B00G 59.5(3) . . ?
B00J B00M B00G 59.7(3) . . ?
B00L B00M H13 123.7(19) . . ?
B00F B00M H13 114(2) . . ?
B00N B00M H13 130(2) . . ?
B00J B00M H13 115.0(19) . . ?
B00G B00M H13 125(2) . . ?
B00L B00N B00E 108.2(3) . . ?
B00L B00N B00H 60.3(3) . . ?
B00E B00N B00H 60.5(3) . . ?
B00L B00N B00G 108.0(4) . . ?
B00E B00N B00G 59.3(3) . . ?
B00H B00N B00G 108.2(3) . . ?
B00L B00N B00M 59.4(3) . . ?
B00E B00N B00M 108.0(3) . . ?
B00H B00N B00M 108.1(4) . . ?
B00G B00N B00M 60.7(3) . . ?
B00L B00N H9 123(2) . . ?
B00E B00N H9 120(2) . . ?
B00H B00N H9 120(2) . . ?
B00G B00N H9 122(2) . . ?
B00M B00N H9 124(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C006 C001 C002 C006 1.1(6) . . . 2_566 ?
C00B C001 C002 C006 179.0(4) . . . 2_566 ?
C006 C001 C002 C004 -178.4(4) . . . . ?
C00B C001 C002 C004 -0.5(6) . . . . ?
C002 C001 C006 C002 -1.2(7) . . . 2_566 ?
C00B C001 C006 C002 -179.2(4) . . . 2_566 ?
C008 C003 C007 C00A 0.9(6) . . . . ?
C005 C003 C007 C00A -178.2(4) . . . . ?
C007 C003 C008 C009 -0.5(6) . . . . ?
C005 C003 C008 C009 178.6(4) . . . . ?
C003 C008 C009 C00D 0.0(6) . . . . ?
C003 C007 C00A C00D -0.8(6) . . . . ?
C006 C001 C00B C10 -161.0(4) . . . . ?
C002 C001 C00B C10 21.1(6) . . . . ?
C006 C001 C00B B00F 54.9(5) . . . . ?
C002 C001 C00B B00F -123.0(4) . . . . ?
C006 C001 C00B B00I 127.6(4) . . . . ?
C002 C001 C00B B00I -50.4(5) . . . . ?
C006 C001 C00B B00L -19.7(6) . . . . ?
C002 C001 C00B B00L 162.4(4) . . . . ?
C006 C001 C00B B00H -90.8(4) . . . . ?
C002 C001 C00B B00H 91.3(5) . . . . ?
C001 C00B C10 B00K -145.7(4) . . . . ?
B00F C00B C10 B00K 2.2(4) . . . . ?
B00I C00B C10 B00K -38.1(3) . . . . ?
B00L C00B C10 B00K 68.5(4) . . . . ?
B00H C00B C10 B00K 108.1(4) . . . . ?
C001 C00B C10 B00E 145.3(4) . . . . ?
B00F C00B C10 B00E -66.8(4) . . . . ?
B00I C00B C10 B00E -107.1(4) . . . . ?
B00L C00B C10 B00E -0.5(5) . . . . ?
B00H C00B C10 B00E 39.1(4) . . . . ?
C001 C00B C10 B00I -107.6(4) . . . . ?
B00F C00B C10 B00I 40.2(3) . . . . ?
B00L C00B C10 B00I 106.6(4) . . . . ?
B00H C00B C10 B00I 146.1(4) . . . . ?
C001 C00B C10 B00H 106.3(4) . . . . ?
B00F C00B C10 B00H -105.9(3) . . . . ?
B00I C00B C10 B00H -146.1(4) . . . . ?
B00L C00B C10 B00H -39.5(3) . . . . ?
C007 C00A C00D C009 0.3(7) . . . . ?
C008 C009 C00D C00A 0.1(7) . . . . ?
C00B C10 B00E B00G 64.4(4) . . . . ?
B00K C10 B00E B00G -40.7(3) . . . . ?
B00I C10 B00E B00G -3.6(4) . . . . ?
B00H C10 B00E B00G 103.5(4) . . . . ?
C00B C10 B00E B00N 1.6(5) . . . . ?
B00K C10 B00E B00N -103.5(4) . . . . ?
B00I C10 B00E B00N -66.4(4) . . . . ?
B00H C10 B00E B00N 40.7(3) . . . . ?
C00B C10 B00E B00K 105.0(4) . . . . ?
B00I C10 B00E B00K 37.1(3) . . . . ?
B00H C10 B00E B00K 144.2(4) . . . . ?
C00B C10 B00E B00H -39.2(4) . . . . ?
B00K C10 B00E B00H -144.2(4) . . . . ?
B00I C10 B00E B00H -107.2(4) . . . . ?
C001 C00B B00F B00I 107.5(4) . . . . ?
C10 C00B B00F B00I -39.9(3) . . . . ?
B00L C00B B00F B00I -140.8(4) . . . . ?
B00H C00B B00F B00I -105.5(3) . . . . ?
C001 C00B B00F B00M -150.2(3) . . . . ?
C10 C00B B00F B00M 62.3(4) . . . . ?
B00I C00B B00F B00M 102.2(4) . . . . ?
B00L C00B B00F B00M -38.6(3) . . . . ?
B00H C00B B00F B00M -3.3(4) . . . . ?
C001 C00B B00F B00L -111.7(4) . . . . ?
C10 C00B B00F B00L 100.9(4) . . . . ?
B00I C00B B00F B00L 140.8(4) . . . . ?
B00H C00B B00F B00L 35.3(3) . . . . ?
C001 C00B B00F B00J 146.7(3) . . . . ?
C10 C00B B00F B00J -0.8(4) . . . . ?
B00I C00B B00F B00J 39.2(3) . . . . ?
B00L C00B B00F B00J -101.7(4) . . . . ?
B00H C00B B00F B00J -66.3(4) . . . . ?
C10 B00E B00G B00N -98.7(3) . . . . ?
B00K B00E B00G B00N -138.0(4) . . . . ?
B00H B00E B00G B00N -37.0(3) . . . . ?
C10 B00E B00G B00K 39.4(3) . . . . ?
B00N B00E B00G B00K 138.0(4) . . . . ?
B00H B00E B00G B00K 101.0(4) . . . . ?
C10 B00E B00G B00J 2.3(4) . . . . ?
B00N B00E B00G B00J 100.9(4) . . . . ?
B00K B00E B00G B00J -37.1(3) . . . . ?
B00H B00E B00G B00J 63.9(4) . . . . ?
C10 B00E B00G B00M -61.4(4) . . . . ?
B00N B00E B00G B00M 37.3(3) . . . . ?
B00K B00E B00G B00M -100.7(4) . . . . ?
B00H B00E B00G B00M 0.3(4) . . . . ?
B00K C10 B00H C00B -104.1(4) . . . . ?
B00E C10 B00H C00B -139.3(4) . . . . ?
B00I C10 B00H C00B -32.9(3) . . . . ?
C00B C10 B00H B00N 98.9(4) . . . . ?
B00K C10 B00H B00N -5.1(5) . . . . ?
B00E C10 B00H B00N -40.4(3) . . . . ?
B00I C10 B00H B00N 66.1(4) . . . . ?
C00B C10 B00H B00L 37.4(3) . . . . ?
B00K C10 B00H B00L -66.7(4) . . . . ?
B00E C10 B00H B00L -101.9(4) . . . . ?
B00I C10 B00H B00L 4.5(5) . . . . ?
C00B C10 B00H B00E 139.3(4) . . . . ?
B00K C10 B00H B00E 35.2(4) . . . . ?
B00I C10 B00H B00E 106.4(4) . . . . ?
C001 C00B B00H C10 -111.1(4) . . . . ?
B00F C00B B00H C10 100.5(4) . . . . ?
B00I C00B B00H C10 32.3(3) . . . . ?
B00L C00B B00H C10 136.3(4) . . . . ?
C001 C00B B00H B00N 152.3(3) . . . . ?
C10 C00B B00H B00N -96.6(4) . . . . ?
B00F C00B B00H B00N 3.9(4) . . . . ?
B00I C00B B00H B00N -64.4(4) . . . . ?
B00L C00B B00H B00N 39.7(3) . . . . ?
C001 C00B B00H B00L 112.6(4) . . . . ?
C10 C00B B00H B00L -136.3(4) . . . . ?
B00F C00B B00H B00L -35.8(3) . . . . ?
B00I C00B B00H B00L -104.1(4) . . . . ?
C001 C00B B00H B00E -146.0(3) . . . . ?
C10 C00B B00H B00E -34.9(3) . . . . ?
B00F C00B B00H B00E 65.6(4) . . . . ?
B00I C00B B00H B00E -2.7(4) . . . . ?
B00L C00B B00H B00E 101.4(4) . . . . ?
B00G B00E B00H C10 -95.8(4) . . . . ?
B00N B00E B00H C10 -133.1(4) . . . . ?
B00K B00E B00H C10 -31.5(3) . . . . ?
C10 B00E B00H C00B 34.1(3) . . . . ?
B00G B00E B00H C00B -61.7(4) . . . . ?
B00N B00E B00H C00B -99.0(4) . . . . ?
B00K B00E B00H C00B 2.6(4) . . . . ?
C10 B00E B00H B00N 133.1(4) . . . . ?
B00G B00E B00H B00N 37.3(3) . . . . ?
B00K B00E B00H B00N 101.6(4) . . . . ?
C10 B00E B00H B00L 95.4(4) . . . . ?
B00G B00E B00H B00L -0.4(4) . . . . ?
B00N B00E B00H B00L -37.7(3) . . . . ?
B00K B00E B00H B00L 63.9(4) . . . . ?
B00K C10 B00I C00B 140.6(3) . . . . ?
B00E C10 B00I C00B 103.7(3) . . . . ?
B00H C10 B00I C00B 33.4(3) . . . . ?
C00B C10 B00I B00F -37.4(3) . . . . ?
B00K C10 B00I B00F 103.2(4) . . . . ?
B00E C10 B00I B00F 66.4(4) . . . . ?
B00H C10 B00I B00F -3.9(5) . . . . ?
C00B C10 B00I B00J -100.3(3) . . . . ?
B00K C10 B00I B00J 40.3(3) . . . . ?
B00E C10 B00I B00J 3.4(4) . . . . ?
B00H C10 B00I B00J -66.9(4) . . . . ?
C00B C10 B00I B00K -140.6(3) . . . . ?
B00E C10 B00I B00K -36.9(3) . . . . ?
B00H C10 B00I B00K -107.2(4) . . . . ?
C001 C00B B00I C10 111.0(4) . . . . ?
B00F C00B B00I C10 -136.5(3) . . . . ?
B00L C00B B00I C10 -99.1(4) . . . . ?
B00H C00B B00I C10 -32.0(3) . . . . ?
C001 C00B B00I B00F -112.5(4) . . . . ?
C10 C00B B00I B00F 136.5(3) . . . . ?
B00L C00B B00I B00F 37.4(3) . . . . ?
B00H C00B B00I B00F 104.5(4) . . . . ?
C001 C00B B00I B00J -152.5(4) . . . . ?
C10 C00B B00I B00J 96.6(4) . . . . ?
B00F C00B B00I B00J -39.9(3) . . . . ?
B00L C00B B00I B00J -2.6(5) . . . . ?
B00H C00B B00I B00J 64.5(4) . . . . ?
C001 C00B B00I B00K 144.6(3) . . . . ?
C10 C00B B00I B00K 33.6(3) . . . . ?
B00F C00B B00I B00K -102.9(4) . . . . ?
B00L C00B B00I B00K -65.5(4) . . . . ?
B00H C00B B00I B00K 1.6(4) . . . . ?
C00B B00F B00I C10 36.6(3) . . . . ?
B00M B00F B00I C10 -61.1(4) . . . . ?
B00L B00F B00I C10 1.6(5) . . . . ?
B00J B00F B00I C10 -98.5(4) . . . . ?
B00M B00F B00I C00B -97.7(4) . . . . ?
B00L B00F B00I C00B -35.0(3) . . . . ?
B00J B00F B00I C00B -135.1(4) . . . . ?
C00B B00F B00I B00J 135.1(4) . . . . ?
B00M B00F B00I B00J 37.4(4) . . . . ?
B00L B00F B00I B00J 100.0(4) . . . . ?
C00B B00F B00I B00K 96.6(4) . . . . ?
B00M B00F B00I B00K -1.1(5) . . . . ?
B00L B00F B00I B00K 61.5(4) . . . . ?
B00J B00F B00I B00K -38.5(3) . . . . ?
C10 B00I B00J B00K -38.8(3) . . . . ?
C00B B00I B00J B00K -98.3(4) . . . . ?
B00F B00I B00J B00K -137.2(4) . . . . ?
C10 B00I B00J B00G -1.7(4) . . . . ?
C00B B00I B00J B00G -61.2(4) . . . . ?
B00F B00I B00J B00G -100.1(4) . . . . ?
B00K B00I B00J B00G 37.1(3) . . . . ?
C10 B00I B00J B00F 98.4(3) . . . . ?
C00B B00I B00J B00F 39.0(3) . . . . ?
B00K B00I B00J B00F 137.2(4) . . . . ?
C10 B00I B00J B00M 61.8(4) . . . . ?
C00B B00I B00J B00M 2.3(5) . . . . ?
B00F B00I B00J B00M -36.6(3) . . . . ?
B00K B00I B00J B00M 100.6(4) . . . . ?
B00E B00G B00J B00I -0.3(4) . . . . ?
B00N B00G B00J B00I 63.3(4) . . . . ?
B00K B00G B00J B00I -37.4(3) . . . . ?
B00M B00G B00J B00I 100.1(4) . . . . ?
B00E B00G B00J B00K 37.1(3) . . . . ?
B00N B00G B00J B00K 100.7(4) . . . . ?
B00M B00G B00J B00K 137.5(4) . . . . ?
B00E B00G B00J B00F -63.1(4) . . . . ?
B00N B00G B00J B00F 0.5(4) . . . . ?
B00K B00G B00J B00F -100.2(4) . . . . ?
B00M B00G B00J B00F 37.3(3) . . . . ?
B00E B00G B00J B00M -100.4(4) . . . . ?
B00N B00G B00J B00M -36.8(3) . . . . ?
B00K B00G B00J B00M -137.5(4) . . . . ?
C00B B00F B00J B00I -39.0(3) . . . . ?
B00M B00F B00J B00I -138.6(4) . . . . ?
B00L B00F B00J B00I -101.4(4) . . . . ?
C00B B00F B00J B00K -0.8(4) . . . . ?
B00I B00F B00J B00K 38.2(3) . . . . ?
B00M B00F B00J B00K -100.4(4) . . . . ?
B00L B00F B00J B00K -63.2(4) . . . . ?
C00B B00F B00J B00G 62.0(4) . . . . ?
B00I B00F B00J B00G 100.9(4) . . . . ?
B00M B00F B00J B00G -37.7(3) . . . . ?
B00L B00F B00J B00G -0.5(4) . . . . ?
C00B B00F B00J B00M 99.6(4) . . . . ?
B00I B00F B00J B00M 138.6(4) . . . . ?
B00L B00F B00J B00M 37.2(3) . . . . ?
C00B C10 B00K B00E -105.1(3) . . . . ?
B00I C10 B00K B00E -142.4(3) . . . . ?
B00H C10 B00K B00E -35.2(4) . . . . ?
C00B C10 B00K B00G -65.0(4) . . . . ?
B00E C10 B00K B00G 40.1(3) . . . . ?
B00I C10 B00K B00G -102.3(4) . . . . ?
B00H C10 B00K B00G 4.9(5) . . . . ?
C00B C10 B00K B00I 37.3(3) . . . . ?
B00E C10 B00K B00I 142.4(3) . . . . ?
B00H C10 B00K B00I 107.2(4) . . . . ?
C00B C10 B00K B00J -2.6(4) . . . . ?
B00E C10 B00K B00J 102.5(3) . . . . ?
B00I C10 B00K B00J -39.9(3) . . . . ?
B00H C10 B00K B00J 67.3(4) . . . . ?
B00G B00E B00K C10 133.5(4) . . . . ?
B00N B00E B00K C10 95.5(4) . . . . ?
B00H B00E B00K C10 31.9(3) . . . . ?
C10 B00E B00K B00G -133.5(4) . . . . ?
B00N B00E B00K B00G -38.0(3) . . . . ?
B00H B00E B00K B00G -101.6(4) . . . . ?
C10 B00E B00K B00I -33.6(3) . . . . ?
B00G B00E B00K B00I 99.9(4) . . . . ?
B00N B00E B00K B00I 61.9(4) . . . . ?
B00H B00E B00K B00I -1.7(5) . . . . ?
C10 B00E B00K B00J -96.5(4) . . . . ?
B00G B00E B00K B00J 37.0(3) . . . . ?
B00N B00E B00K B00J -1.0(5) . . . . ?
B00H B00E B00K B00J -64.6(4) . . . . ?
B00E B00G B00K C10 -40.0(3) . . . . ?
B00N B00G B00K C10 -2.5(5) . . . . ?
B00J B00G B00K C10 98.7(4) . . . . ?
B00M B00G B00K C10 60.7(4) . . . . ?
B00N B00G B00K B00E 37.6(3) . . . . ?
B00J B00G B00K B00E 138.7(4) . . . . ?
B00M B00G B00K B00E 100.7(4) . . . . ?
B00E B00G B00K B00I -101.8(4) . . . . ?
B00N B00G B00K B00I -64.2(4) . . . . ?
B00J B00G B00K B00I 37.0(3) . . . . ?
B00M B00G B00K B00I -1.0(5) . . . . ?
B00E B00G B00K B00J -138.7(4) . . . . ?
B00N B00G B00K B00J -101.2(4) . . . . ?
B00M B00G B00K B00J -38.0(3) . . . . ?
C00B B00I B00K C10 -33.5(3) . . . . ?
B00F B00I B00K C10 -95.1(3) . . . . ?
B00J B00I B00K C10 -133.8(3) . . . . ?
C10 B00I B00K B00E 33.7(3) . . . . ?
C00B B00I B00K B00E 0.1(4) . . . . ?
B00F B00I B00K B00E -61.4(4) . . . . ?
B00J B00I B00K B00E -100.2(4) . . . . ?
C10 B00I B00K B00G 96.4(4) . . . . ?
C00B B00I B00K B00G 62.9(4) . . . . ?
B00F B00I B00K B00G 1.3(5) . . . . ?
B00J B00I B00K B00G -37.4(3) . . . . ?
C10 B00I B00K B00J 133.8(3) . . . . ?
C00B B00I B00K B00J 100.3(3) . . . . ?
B00F B00I B00K B00J 38.7(3) . . . . ?
B00I B00J B00K C10 39.8(3) . . . . ?
B00G B00J B00K C10 -98.5(4) . . . . ?
B00F B00J B00K C10 2.0(4) . . . . ?
B00M B00J B00K C10 -60.5(4) . . . . ?
B00I B00J B00K B00E 101.7(4) . . . . ?
B00G B00J B00K B00E -36.6(3) . . . . ?
B00F B00J B00K B00E 63.9(4) . . . . ?
B00M B00J B00K B00E 1.3(5) . . . . ?
B00I B00J B00K B00G 138.3(4) . . . . ?
B00F B00J B00K B00G 100.5(4) . . . . ?
B00M B00J B00K B00G 37.9(3) . . . . ?
B00G B00J B00K B00I -138.3(4) . . . . ?
B00F B00J B00K B00I -37.8(3) . . . . ?
B00M B00J B00K B00I -100.3(4) . . . . ?
C001 C00B B00L B00M 150.5(4) . . . . ?
C10 C00B B00L B00M -64.2(4) . . . . ?
B00F C00B B00L B00M 39.0(3) . . . . ?
B00I C00B B00L B00M 1.7(5) . . . . ?
B00H C00B B00L B00M -103.5(4) . . . . ?
C001 C00B B00L B00N -146.2(4) . . . . ?
C10 C00B B00L B00N -0.8(4) . . . . ?
B00F C00B B00L B00N 102.3(4) . . . . ?
B00I C00B B00L B00N 65.1(4) . . . . ?
B00H C00B B00L B00N -40.2(3) . . . . ?
C001 C00B B00L B00H -106.0(4) . . . . ?
C10 C00B B00L B00H 39.3(3) . . . . ?
B00F C00B B00L B00H 142.5(4) . . . . ?
B00I C00B B00L B00H 105.3(4) . . . . ?
C001 C00B B00L B00F 111.5(4) . . . . ?
C10 C00B B00L B00F -103.2(4) . . . . ?
B00I C00B B00L B00F -37.3(4) . . . . ?
B00H C00B B00L B00F -142.5(4) . . . . ?
C10 B00H B00L C00B -36.2(3) . . . . ?
B00N B00H B00L C00B -134.3(4) . . . . ?
B00E B00H B00L C00B -96.7(3) . . . . ?
C10 B00H B00L B00M 60.8(4) . . . . ?
C00B B00H B00L B00M 97.0(4) . . . . ?
B00N B00H B00L B00M -37.3(3) . . . . ?
B00E B00H B00L B00M 0.3(4) . . . . ?
C10 B00H B00L B00N 98.1(4) . . . . ?
C00B B00H B00L B00N 134.3(4) . . . . ?
B00E B00H B00L B00N 37.6(3) . . . . ?
C10 B00H B00L B00F -3.2(5) . . . . ?
C00B B00H B00L B00F 33.0(3) . . . . ?
B00N B00H B00L B00F -101.3(4) . . . . ?
B00E B00H B00L B00F -63.7(4) . . . . ?
B00I B00F B00L C00B 34.8(3) . . . . ?
B00M B00F B00L C00B 135.6(3) . . . . ?
B00J B00F B00L C00B 97.8(3) . . . . ?
C00B B00F B00L B00M -135.6(4) . . . . ?
B00I B00F B00L B00M -100.8(4) . . . . ?
B00J B00F B00L B00M -37.8(3) . . . . ?
C00B B00F B00L B00N -97.6(4) . . . . ?
B00I B00F B00L B00N -62.7(4) . . . . ?
B00M B00F B00L B00N 38.1(3) . . . . ?
B00J B00F B00L B00N 0.3(4) . . . . ?
C00B B00F B00L B00H -33.8(3) . . . . ?
B00I B00F B00L B00H 1.0(5) . . . . ?
B00M B00F B00L B00H 101.8(4) . . . . ?
B00J B00F B00L B00H 64.0(4) . . . . ?
C00B B00L B00M B00F -38.0(3) . . . . ?
B00N B00L B00M B00F -138.0(3) . . . . ?
B00H B00L B00M B00F -101.0(3) . . . . ?
C00B B00L B00M B00N 100.0(4) . . . . ?
B00H B00L B00M B00N 37.0(3) . . . . ?
B00F B00L B00M B00N 138.0(3) . . . . ?
C00B B00L B00M B00J -0.1(5) . . . . ?
B00N B00L B00M B00J -100.2(4) . . . . ?
B00H B00L B00M B00J -63.2(4) . . . . ?
B00F B00L B00M B00J 37.8(3) . . . . ?
C00B B00L B00M B00G 62.9(4) . . . . ?
B00N B00L B00M B00G -37.1(3) . . . . ?
B00H B00L B00M B00G -0.2(4) . . . . ?
B00F B00L B00M B00G 100.8(4) . . . . ?
C00B B00F B00M B00L 38.8(3) . . . . ?
B00I B00F B00M B00L 100.9(4) . . . . ?
B00J B00F B00M B00L 137.9(4) . . . . ?
C00B B00F B00M B00N 1.3(4) . . . . ?
B00I B00F B00M B00N 63.3(4) . . . . ?
B00L B00F B00M B00N -37.6(3) . . . . ?
B00J B00F B00M B00N 100.3(4) . . . . ?
C00B B00F B00M B00J -99.0(4) . . . . ?
B00I B00F B00M B00J -36.9(3) . . . . ?
B00L B00F B00M B00J -137.9(4) . . . . ?
C00B B00F B00M B00G -61.6(4) . . . . ?
B00I B00F B00M B00G 0.5(5) . . . . ?
B00L B00F B00M B00G -100.4(4) . . . . ?
B00J B00F B00M B00G 37.4(3) . . . . ?
B00I B00J B00M B00L -1.4(5) . . . . ?
B00K B00J B00M B00L 62.1(4) . . . . ?
B00G B00J B00M B00L 99.8(4) . . . . ?
B00F B00J B00M B00L -38.1(3) . . . . ?
B00I B00J B00M B00F 36.7(3) . . . . ?
B00K B00J B00M B00F 100.2(4) . . . . ?
B00G B00J B00M B00F 137.8(4) . . . . ?
B00I B00J B00M B00N -64.7(4) . . . . ?
B00K B00J B00M B00N -1.2(5) . . . . ?
B00G B00J B00M B00N 36.5(3) . . . . ?
B00F B00J B00M B00N -101.3(4) . . . . ?
B00I B00J B00M B00G -101.2(4) . . . . ?
B00K B00J B00M B00G -37.6(3) . . . . ?
B00F B00J B00M B00G -137.8(4) . . . . ?
B00E B00G B00M B00L -0.1(4) . . . . ?
B00N B00G B00M B00L 37.3(3) . . . . ?
B00K B00G B00M B00L -63.6(4) . . . . ?
B00J B00G B00M B00L -101.6(4) . . . . ?
B00E B00G B00M B00F 63.8(4) . . . . ?
B00N B00G B00M B00F 101.2(4) . . . . ?
B00K B00G B00M B00F 0.3(5) . . . . ?
B00J B00G B00M B00F -37.6(3) . . . . ?
B00E B00G B00M B00N -37.4(3) . . . . ?
B00K B00G B00M B00N -100.9(4) . . . . ?
B00J B00G B00M B00N -138.9(4) . . . . ?
B00E B00G B00M B00J 101.5(4) . . . . ?
B00N B00G B00M B00J 138.9(4) . . . . ?
B00K B00G B00M B00J 38.0(4) . . . . ?
C00B B00L B00N B00E 1.8(5) . . . . ?
B00M B00L B00N B00E 100.6(4) . . . . ?
B00H B00L B00N B00E -38.4(3) . . . . ?
B00F B00L B00N B00E 62.8(4) . . . . ?
C00B B00L B00N B00H 40.2(3) . . . . ?
B00M B00L B00N B00H 139.0(3) . . . . ?
B00F B00L B00N B00H 101.2(3) . . . . ?
C00B B00L B00N B00G -61.0(4) . . . . ?
B00M B00L B00N B00G 37.9(3) . . . . ?
B00H B00L B00N B00G -101.2(4) . . . . ?
B00F B00L B00N B00G 0.0(4) . . . . ?
C00B B00L B00N B00M -98.8(4) . . . . ?
B00H B00L B00N B00M -139.0(3) . . . . ?
B00F B00L B00N B00M -37.8(3) . . . . ?
C10 B00E B00N B00L -2.0(5) . . . . ?
B00G B00E B00N B00L -100.6(4) . . . . ?
B00K B00E B00N B00L -62.5(5) . . . . ?
B00H B00E B00N B00L 38.3(4) . . . . ?
C10 B00E B00N B00H -40.3(3) . . . . ?
B00G B00E B00N B00H -138.8(4) . . . . ?
B00K B00E B00N B00H -100.8(4) . . . . ?
C10 B00E B00N B00G 98.6(4) . . . . ?
B00K B00E B00N B00G 38.0(3) . . . . ?
B00H B00E B00N B00G 138.8(4) . . . . ?
C10 B00E B00N B00M 60.8(4) . . . . ?
B00G B00E B00N B00M -37.7(3) . . . . ?
B00K B00E B00N B00M 0.3(5) . . . . ?
B00H B00E B00N B00M 101.1(4) . . . . ?
C10 B00H B00N B00L -97.6(4) . . . . ?
C00B B00H B00N B00L -39.3(3) . . . . ?
B00E B00H B00N B00L -137.3(4) . . . . ?
C10 B00H B00N B00E 39.7(3) . . . . ?
C00B B00H B00N B00E 98.0(3) . . . . ?
B00L B00H B00N B00E 137.3(4) . . . . ?
C10 B00H B00N B00G 3.1(4) . . . . ?
C00B B00H B00N B00G 61.4(4) . . . . ?
B00L B00H B00N B00G 100.7(4) . . . . ?
B00E B00H B00N B00G -36.6(3) . . . . ?
C10 B00H B00N B00M -61.2(4) . . . . ?
C00B B00H B00N B00M -2.9(4) . . . . ?
B00L B00H B00N B00M 36.4(3) . . . . ?
B00E B00H B00N B00M -100.9(4) . . . . ?
B00E B00G B00N B00L 100.9(4) . . . . ?
B00K B00G B00N B00L 63.3(4) . . . . ?
B00J B00G B00N B00L -0.3(5) . . . . ?
B00M B00G B00N B00L -37.3(3) . . . . ?
B00K B00G B00N B00E -37.6(3) . . . . ?
B00J B00G B00N B00E -101.2(4) . . . . ?
B00M B00G B00N B00E -138.1(4) . . . . ?
B00E B00G B00N B00H 37.1(3) . . . . ?
B00K B00G B00N B00H -0.5(5) . . . . ?
B00J B00G B00N B00H -64.1(4) . . . . ?
B00M B00G B00N B00H -101.0(4) . . . . ?
B00E B00G B00N B00M 138.1(4) . . . . ?
B00K B00G B00N B00M 100.5(4) . . . . ?
B00J B00G B00N B00M 36.9(3) . . . . ?
B00F B00M B00N B00L 37.9(3) . . . . ?
B00J B00M B00N B00L 101.4(4) . . . . ?
B00G B00M B00N B00L 138.0(3) . . . . ?
B00L B00M B00N B00E -100.9(4) . . . . ?
B00F B00M B00N B00E -63.0(4) . . . . ?
B00J B00M B00N B00E 0.6(5) . . . . ?
B00G B00M B00N B00E 37.1(3) . . . . ?
B00L B00M B00N B00H -36.8(3) . . . . ?
B00F B00M B00N B00H 1.1(4) . . . . ?
B00J B00M B00N B00H 64.6(4) . . . . ?
B00G B00M B00N B00H 101.2(3) . . . . ?
B00L B00M B00N B00G -138.0(3) . . . . ?
B00F B00M B00N B00G -100.1(3) . . . . ?
B00J B00M B00N B00G -36.6(3) . . . . ?

_refine_diff_density_max         0.296
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.076



