#------------------------------------------------------------------------------
#$Date: 2021-09-06 12:43:49 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268610 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/86/7128695.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7128695
loop_
_publ_author_name
'Huang, Ronghui'
'Zhao, Weijia'
'Xu, Shengwen'
'Xu, Jingkai'
'Li, Chunxiao'
'Lu, Changsheng'
'Yan, Hong'
_publ_section_title
;
 Photoredox B-H functionalization to selective B-N(sp³)
 coupling of nido-carborane with primary and secondary amines.
;
_journal_issue                   69
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8580
_journal_page_last               8583
_journal_paper_doi               10.1039/d1cc03326c
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C19 H30 B9 N, C3 H6 O'
_chemical_formula_sum            'C22 H36 B9 N O'
_chemical_formula_weight         427.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-06-17
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2020-12-01 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.554(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.119(8)
_cell_length_b                   6.9698(17)
_cell_length_c                   23.025(6)
_cell_measurement_reflns_used    3752
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.88
_cell_measurement_theta_min      2.53
_cell_volume                     5220(2)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.980
_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_reflns_av_R_equivalents  0.0776
_diffrn_reflns_av_unetI/netI     0.0756
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            21986
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.397
_diffrn_reflns_theta_min         1.252
_diffrn_source_current           0.6
_diffrn_source_power             0.03
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.3850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1817 before and 0.0870 after correction.
The Ratio of minimum to maximum transmission is 0.5164.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         5802
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1053
_refine_ls_R_factor_gt           0.0744
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1196P)²+2.8161P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2067
_refine_ls_wR_factor_ref         0.2360
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3858
_reflns_number_total             5802
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc03326c2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7128695--7128697.cif.'
_cod_database_code               7128695
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.994
_shelx_estimated_absorpt_t_min   0.992
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00M(H00P,H00Q)
2.b Idealised Me refined as rotating group:
 C00W(H00Z,H,HA), C00X(H00,HB,HC)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
N001 N 0.44040(5) 0.7961(2) 0.37164(8) 0.0351(4) Uani 1 1 d . . . . .
C002 C 0.34141(6) 0.7750(3) 0.33533(9) 0.0353(5) Uani 1 1 d . . . . .
C003 C 0.36799(6) 0.6917(3) 0.39415(8) 0.0325(4) Uani 1 1 d . . . . .
C004 C 0.30889(6) 0.7961(3) 0.44187(9) 0.0393(5) Uani 1 1 d . . . . .
C005 C 0.34967(6) 0.7005(3) 0.45017(9) 0.0360(5) Uani 1 1 d . . . . .
C006 C 0.31964(8) 0.6617(4) 0.28696(10) 0.0516(6) Uani 1 1 d . . . . .
C007 C 0.33745(8) 0.9723(4) 0.32919(11) 0.0503(6) Uani 1 1 d . . . . .
C008 C 0.27162(7) 0.7004(4) 0.42321(12) 0.0536(6) Uani 1 1 d . . . . .
C009 C 0.30842(8) 0.9886(4) 0.45616(14) 0.0556(7) Uani 1 1 d . . . . .
B00A B 0.41757(7) 0.7044(3) 0.41424(10) 0.0338(5) Uani 1 1 d . . . . .
C00B C 0.50039(9) 0.7804(5) 0.33108(13) 0.0632(8) Uani 1 1 d . . . . .
C00C C 0.44984(11) 1.0030(4) 0.38582(16) 0.0630(8) Uani 1 1 d . . . . .
C00D C 0.29439(9) 0.7444(5) 0.23393(12) 0.0682(8) Uani 1 1 d . . . . .
B00E B 0.39447(7) 0.4775(3) 0.39459(11) 0.0383(5) Uani 1 1 d . . . . .
C00F C 0.47924(9) 0.6916(5) 0.37373(14) 0.0589(7) Uani 1 1 d . . . . .
C00G C 0.27191(9) 1.0839(5) 0.45044(15) 0.0674(8) Uani 1 1 d . . . . .
B00H B 0.34949(8) 0.4809(4) 0.41664(11) 0.0395(5) Uani 1 1 d . . . . .
C00I C 0.23551(8) 0.9883(5) 0.43144(14) 0.0662(8) Uani 1 1 d . . . . .
B00J B 0.43564(7) 0.7325(4) 0.49479(11) 0.0431(6) Uani 1 1 d . . . . .
C00K C 0.23516(8) 0.7961(5) 0.41821(14) 0.0691(8) Uani 1 1 d . . . . .
C00L C 0.29081(10) 0.9388(6) 0.22918(14) 0.0767(9) Uani 1 1 d . . . . .
C00M C 0.50936(9) 0.9880(5) 0.34418(14) 0.0765(9) Uani 1 1 d . . . . .
H00P H 0.520705 1.042403 0.313935 0.092 Uiso 1 1 calc R U . . .
H00Q H 0.529574 1.002541 0.383871 0.092 Uiso 1 1 calc R U . . .
B00N B 0.43650(7) 0.5055(4) 0.45957(11) 0.0421(6) Uani 1 1 d . . . . .
B00O B 0.36370(8) 0.5050(4) 0.49559(12) 0.0450(6) Uani 1 1 d . . . . .
B00P B 0.39387(8) 0.3646(4) 0.46311(12) 0.0457(6) Uani 1 1 d . . . . .
B00Q B 0.41757(8) 0.5272(4) 0.52433(12) 0.0495(7) Uani 1 1 d . . . . .
C00R C 0.31203(10) 1.0511(5) 0.27605(14) 0.0745(9) Uani 1 1 d . . . . .
O00S O 0.40530(10) 0.7748(8) 0.24117(11) 0.1741(19) Uani 1 1 d . . . . .
B00T B 0.38670(8) 0.7373(4) 0.51349(11) 0.0442(6) Uani 1 1 d . . . . .
C00U C 0.47081(12) 1.0929(5) 0.3431(2) 0.0785(10) Uani 1 1 d . . . . .
C00V C 0.38719(11) 0.7107(9) 0.19155(16) 0.1071(16) Uani 1 1 d . . . . .
C00W C 0.37076(16) 0.8317(7) 0.14001(19) 0.1225(16) Uani 1 1 d . . . . .
H00Z H 0.341310 0.832481 0.129427 0.184 Uiso 1 1 calc R U . . .
H H 0.378922 0.784278 0.106248 0.184 Uiso 1 1 calc R U . . .
HA H 0.381000 0.959790 0.149655 0.184 Uiso 1 1 calc R U . . .
C00X C 0.38171(17) 0.5014(9) 0.1832(2) 0.140(2) Uani 1 1 d . . . . .
H00 H 0.392184 0.460402 0.150882 0.210 Uiso 1 1 calc R U . . .
HB H 0.353014 0.470458 0.172922 0.210 Uiso 1 1 calc R U . . .
HC H 0.396385 0.437102 0.220218 0.210 Uiso 1 1 calc R U . . .
H00S H 0.3426(8) 0.451(4) 0.5213(12) 0.063(7) Uiso 1 1 d . . . . .
H00L H 0.4641(9) 0.799(4) 0.5212(12) 0.061(7) Uiso 1 1 d . . . . .
H00F H 0.3942(7) 0.413(3) 0.3497(10) 0.042(6) Uiso 1 1 d . . . . .
H00J H 0.3215(8) 0.419(3) 0.3894(11) 0.050(6) Uiso 1 1 d . . . . .
H001 H 0.4256(8) 0.788(3) 0.3324(12) 0.046(6) Uiso 1 1 d . . . . .
H00W H 0.3838(8) 0.813(4) 0.5529(12) 0.059(7) Uiso 1 1 d . . . . .
H00E H 0.2801(11) 0.666(5) 0.2030(16) 0.087(10) Uiso 1 1 d . . . . .
H00T H 0.3964(9) 0.209(5) 0.4685(13) 0.077(9) Uiso 1 1 d . . . . .
H00C H 0.4255(11) 1.064(5) 0.3845(15) 0.083(10) Uiso 1 1 d . . . . .
H00U H 0.4352(8) 0.470(4) 0.5698(12) 0.056(7) Uiso 1 1 d . . . . .
H006 H 0.3214(10) 0.522(5) 0.2925(14) 0.079(10) Uiso 1 1 d . . . . .
H00R H 0.4661(7) 0.439(3) 0.4632(10) 0.046(6) Uiso 1 1 d . . . . .
H009 H 0.3334(9) 1.059(4) 0.4679(12) 0.068(8) Uiso 1 1 d . . . . .
H007 H 0.3519(8) 1.062(4) 0.3650(13) 0.062(7) Uiso 1 1 d . . . . .
H008 H 0.2713(9) 0.576(5) 0.4124(14) 0.071(9) Uiso 1 1 d . . . . .
H00K H 0.2086(10) 1.063(4) 0.4269(14) 0.079(9) Uiso 1 1 d . . . . .
H00O H 0.2727(10) 0.992(4) 0.1964(15) 0.078(9) Uiso 1 1 d . . . . .
H00I H 0.2734(11) 1.219(6) 0.4607(18) 0.098(12) Uiso 1 1 d . . . . .
H00V H 0.3090(12) 1.215(6) 0.2748(18) 0.114(13) Uiso 1 1 d . . . . .
H00N H 0.2102(11) 0.723(5) 0.4057(15) 0.086(10) Uiso 1 1 d . . . . .
H00G H 0.4960(10) 0.703(4) 0.4181(15) 0.076(9) Uiso 1 1 d . . . . .
H00A H 0.4839(9) 0.771(4) 0.2856(15) 0.067(8) Uiso 1 1 d . . . . .
H00B H 0.5270(11) 0.693(5) 0.3339(16) 0.093(10) Uiso 1 1 d . . . . .
H00X H 0.4779(13) 1.234(7) 0.361(2) 0.125(14) Uiso 1 1 d . . . . .
H00D H 0.4687(12) 1.008(5) 0.4277(18) 0.100(12) Uiso 1 1 d . . . . .
H00H H 0.4714(12) 0.560(6) 0.3671(18) 0.111(14) Uiso 1 1 d . . . . .
H00Y H 0.4506(8) 1.100(3) 0.3037(12) 0.043(7) Uiso 1 1 d . . . . .
H00M H 0.4096(8) 0.853(4) 0.4879(11) 0.053(7) Uiso 1 1 d . . . . .
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'
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'
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
B00A N001 H001 111.8(16) . . ?
C00C N001 B00A 111.93(17) . . ?
C00C N001 C00F 109.4(2) . . ?
C00C N001 H001 107.6(15) . . ?
C00F N001 B00A 112.61(17) . . ?
C00F N001 H001 103.0(15) . . ?
C006 C002 C003 122.5(2) . . ?
C006 C002 C007 118.2(2) . . ?
C007 C002 C003 119.33(19) . . ?
C002 C003 C005 115.94(15) . . ?
C002 C003 B00A 122.18(16) . . ?
C002 C003 B00E 120.49(16) . . ?
C002 C003 B00H 114.89(16) . . ?
C005 C003 B00A 113.45(15) . . ?
C005 C003 B00E 110.91(16) . . ?
C005 C003 B00H 61.68(13) . . ?
B00A C003 B00E 63.21(13) . . ?
B00A C003 B00H 113.81(16) . . ?
B00H C003 B00E 60.57(13) . . ?
C008 C004 C005 123.7(2) . . ?
C009 C004 C005 118.5(2) . . ?
C009 C004 C008 117.7(2) . . ?
C003 C005 B00H 63.28(13) . . ?
C003 C005 B00O 111.17(16) . . ?
C003 C005 B00T 109.94(16) . . ?
C004 C005 C003 119.21(16) . . ?
C004 C005 B00H 117.49(17) . . ?
C004 C005 B00O 120.87(17) . . ?
C004 C005 B00T 118.72(17) . . ?
B00O C005 B00H 61.46(14) . . ?
B00T C005 B00H 116.01(17) . . ?
B00T C005 B00O 65.04(16) . . ?
C002 C006 C00D 120.7(3) . . ?
C002 C006 H006 117.7(18) . . ?
C00D C006 H006 121.6(19) . . ?
C002 C007 H007 120.7(15) . . ?
C00R C007 C002 120.0(3) . . ?
C00R C007 H007 119.2(15) . . ?
C004 C008 H008 118.9(19) . . ?
C00K C008 C004 120.8(3) . . ?
C00K C008 H008 120.2(19) . . ?
C004 C009 H009 119.8(18) . . ?
C00G C009 C004 121.2(3) . . ?
C00G C009 H009 118.9(18) . . ?
N001 B00A C003 121.33(17) . . ?
N001 B00A B00E 118.33(16) . . ?
N001 B00A B00J 121.87(17) . . ?
N001 B00A B00N 122.56(16) . . ?
C003 B00A B00E 61.92(13) . . ?
C003 B00A B00J 107.94(16) . . ?
C003 B00A B00N 107.18(17) . . ?
B00E B00A B00J 110.69(17) . . ?
B00N B00A B00E 59.68(14) . . ?
B00N B00A B00J 60.85(15) . . ?
C00F C00B H00A 114.2(16) . . ?
C00F C00B H00B 106.8(18) . . ?
C00M C00B C00F 112.0(2) . . ?
C00M C00B H00A 106.5(16) . . ?
C00M C00B H00B 114.6(18) . . ?
H00A C00B H00B 103(2) . . ?
N001 C00C C00U 111.8(2) . . ?
N001 C00C H00C 108(2) . . ?
N001 C00C H00D 107(2) . . ?
C00U C00C H00C 113(2) . . ?
C00U C00C H00D 109(2) . . ?
H00C C00C H00D 109(3) . . ?
C006 C00D H00E 119(2) . . ?
C00L C00D C006 120.0(3) . . ?
C00L C00D H00E 121(2) . . ?
C003 B00E B00A 54.86(12) . . ?
C003 B00E B00H 59.57(12) . . ?
C003 B00E B00P 103.94(16) . . ?
C003 B00E H00F 118.5(11) . . ?
B00A B00E B00P 107.13(18) . . ?
B00A B00E H00F 118.4(11) . . ?
B00H B00E B00A 105.99(16) . . ?
B00H B00E B00P 60.13(14) . . ?
B00H B00E H00F 120.3(11) . . ?
B00N B00E C003 101.54(16) . . ?
B00N B00E B00A 59.43(14) . . ?
B00N B00E B00H 108.35(17) . . ?
B00N B00E B00P 60.79(15) . . ?
B00N B00E H00F 127.6(11) . . ?
B00P B00E H00F 129.9(11) . . ?
N001 C00F C00B 111.7(2) . . ?
N001 C00F H00G 102.6(17) . . ?
N001 C00F H00H 105(2) . . ?
C00B C00F H00G 112.8(18) . . ?
C00B C00F H00H 117(2) . . ?
H00G C00F H00H 106(3) . . ?
C009 C00G H00I 118(2) . . ?
C00I C00G C009 120.3(3) . . ?
C00I C00G H00I 122(2) . . ?
C003 B00H B00E 59.86(13) . . ?
C003 B00H B00O 102.57(17) . . ?
C003 B00H B00P 104.27(17) . . ?
C003 B00H H00J 120.6(13) . . ?
C005 B00H C003 55.04(12) . . ?
C005 B00H B00E 104.93(17) . . ?
C005 B00H B00O 58.80(14) . . ?
C005 B00H B00P 104.56(18) . . ?
C005 B00H H00J 120.6(13) . . ?
B00E B00H B00P 60.28(14) . . ?
B00E B00H H00J 122.2(13) . . ?
B00O B00H B00E 108.08(18) . . ?
B00O B00H B00P 59.61(14) . . ?
B00O B00H H00J 124.9(13) . . ?
B00P B00H H00J 128.7(13) . . ?
C00G C00I C00K 119.7(2) . . ?
C00G C00I H00K 119.0(18) . . ?
C00K C00I H00K 121.3(18) . . ?
B00A B00J B00N 58.43(13) . . ?
B00A B00J B00T 101.04(15) . . ?
B00A B00J H00L 127.1(14) . . ?
B00A B00J H00M 86.0(12) . . ?
B00N B00J B00T 105.21(18) . . ?
B00N B00J H00L 119.9(14) . . ?
B00N B00J H00M 132.5(12) . . ?
B00Q B00J B00A 105.06(18) . . ?
B00Q B00J B00N 60.87(16) . . ?
B00Q B00J B00T 58.78(15) . . ?
B00Q B00J H00L 119.0(14) . . ?
B00Q B00J H00M 106.6(12) . . ?
B00T B00J H00L 125.7(14) . . ?
B00T B00J H00M 47.9(12) . . ?
H00L B00J H00M 106.4(18) . . ?
C008 C00K H00N 118(2) . . ?
C00I C00K C008 120.2(3) . . ?
C00I C00K H00N 122(2) . . ?
C00D C00L H00O 120(2) . . ?
C00R C00L C00D 119.9(3) . . ?
C00R C00L H00O 120(2) . . ?
C00B C00M H00P 109.6 . . ?
C00B C00M H00Q 109.6 . . ?
C00B C00M C00U 110.2(2) . . ?
H00P C00M H00Q 108.1 . . ?
C00U C00M H00P 109.6 . . ?
C00U C00M H00Q 109.6 . . ?
B00A B00N B00E 60.89(14) . . ?
B00A B00N B00J 60.71(14) . . ?
B00A B00N B00P 107.90(16) . . ?
B00A B00N B00Q 105.60(17) . . ?
B00A B00N H00R 123.4(12) . . ?
B00E B00N B00J 111.57(17) . . ?
B00E B00N B00P 60.31(14) . . ?
B00E B00N B00Q 108.21(17) . . ?
B00E B00N H00R 121.4(12) . . ?
B00J B00N B00Q 59.31(15) . . ?
B00J B00N H00R 118.9(12) . . ?
B00P B00N B00J 110.11(17) . . ?
B00P B00N B00Q 60.38(16) . . ?
B00P B00N H00R 121.0(12) . . ?
B00Q B00N H00R 121.8(12) . . ?
C005 B00O B00H 59.74(13) . . ?
C005 B00O B00P 106.23(17) . . ?
C005 B00O B00Q 103.26(18) . . ?
C005 B00O B00T 55.84(13) . . ?
C005 B00O H00S 119.2(14) . . ?
B00H B00O B00P 60.86(15) . . ?
B00H B00O B00Q 109.31(18) . . ?
B00H B00O B00T 106.95(18) . . ?
B00H B00O H00S 119.7(14) . . ?
B00P B00O B00Q 61.74(16) . . ?
B00P B00O B00T 109.36(19) . . ?
B00P B00O H00S 126.2(14) . . ?
B00Q B00O B00T 59.99(16) . . ?
B00Q B00O H00S 126.2(14) . . ?
B00T B00O H00S 119.1(14) . . ?
B00E B00P B00N 58.90(14) . . ?
B00E B00P B00Q 107.17(19) . . ?
B00E B00P H00T 121.5(16) . . ?
B00H B00P B00E 59.59(14) . . ?
B00H B00P B00N 106.43(18) . . ?
B00H B00P B00Q 106.63(18) . . ?
B00H B00P H00T 123.2(16) . . ?
B00N B00P B00Q 60.48(15) . . ?
B00N B00P H00T 121.2(16) . . ?
B00O B00P B00E 107.46(17) . . ?
B00O B00P B00H 59.53(14) . . ?
B00O B00P B00N 107.9(2) . . ?
B00O B00P B00Q 59.64(15) . . ?
B00O B00P H00T 122.9(16) . . ?
B00Q B00P H00T 122.4(16) . . ?
B00J B00Q B00N 59.82(15) . . ?
B00J B00Q B00P 109.50(18) . . ?
B00J B00Q B00T 62.67(16) . . ?
B00J B00Q H00U 120.0(13) . . ?
B00N B00Q H00U 121.5(13) . . ?
B00O B00Q B00J 111.76(18) . . ?
B00O B00Q B00N 105.99(18) . . ?
B00O B00Q B00P 58.62(15) . . ?
B00O B00Q B00T 60.84(15) . . ?
B00O B00Q H00U 121.9(13) . . ?
B00P B00Q B00N 59.14(15) . . ?
B00P B00Q H00U 119.9(13) . . ?
B00T B00Q B00N 107.36(18) . . ?
B00T B00Q B00P 107.56(17) . . ?
B00T B00Q H00U 123.9(13) . . ?
C007 C00R H00V 116(2) . . ?
C00L C00R C007 121.2(3) . . ?
C00L C00R H00V 122(2) . . ?
C005 B00T B00J 107.39(16) . . ?
C005 B00T B00O 59.11(14) . . ?
C005 B00T B00Q 105.17(19) . . ?
C005 B00T H00W 125.7(14) . . ?
C005 B00T H00M 95.5(10) . . ?
B00J B00T H00W 121.5(14) . . ?
B00J B00T H00M 40.5(11) . . ?
B00O B00T B00J 107.09(18) . . ?
B00O B00T H00W 119.4(14) . . ?
B00O B00T H00M 134.3(10) . . ?
B00Q B00T B00J 58.55(15) . . ?
B00Q B00T B00O 59.17(16) . . ?
B00Q B00T H00W 119.1(14) . . ?
B00Q B00T H00M 98.9(11) . . ?
H00W B00T H00M 106.3(17) . . ?
C00C C00U H00X 103(2) . . ?
C00C C00U H00Y 106.9(15) . . ?
C00M C00U C00C 111.8(3) . . ?
C00M C00U H00X 110(2) . . ?
C00M C00U H00Y 114.7(15) . . ?
H00X C00U H00Y 109(3) . . ?
O00S C00V C00W 121.9(6) . . ?
O00S C00V C00X 119.8(5) . . ?
C00W C00V C00X 118.2(4) . . ?
C00V C00W H00Z 109.5 . . ?
C00V C00W H 109.5 . . ?
C00V C00W HA 109.5 . . ?
H00Z C00W H 109.5 . . ?
H00Z C00W HA 109.5 . . ?
H C00W HA 109.5 . . ?
C00V C00X H00 109.5 . . ?
C00V C00X HB 109.5 . . ?
C00V C00X HC 109.5 . . ?
H00 C00X HB 109.5 . . ?
H00 C00X HC 109.5 . . ?
HB C00X HC 109.5 . . ?
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
N001 B00A 1.561(3) . ?
N001 C00C 1.492(3) . ?
N001 C00F 1.500(3) . ?
N001 H001 0.89(3) . ?
C002 C003 1.501(3) . ?
C002 C006 1.385(3) . ?
C002 C007 1.385(3) . ?
C003 C005 1.595(3) . ?
C003 B00A 1.616(3) . ?
C003 B00E 1.744(3) . ?
C003 B00H 1.739(3) . ?
C004 C005 1.502(3) . ?
C004 C008 1.385(3) . ?
C004 C009 1.383(3) . ?
C005 B00H 1.713(3) . ?
C005 B00O 1.697(3) . ?
C005 B00T 1.636(3) . ?
C006 C00D 1.390(4) . ?
C006 H006 0.98(3) . ?
C007 C00R 1.382(4) . ?
C007 H007 1.03(3) . ?
C008 C00K 1.385(4) . ?
C008 H008 0.90(3) . ?
C009 C00G 1.382(3) . ?
C009 H009 0.95(3) . ?
B00A B00E 1.764(3) . ?
B00A B00J 1.780(3) . ?
B00A B00N 1.739(3) . ?
C00B C00F 1.515(4) . ?
C00B C00M 1.491(5) . ?
C00B H00A 1.03(3) . ?
C00B H00B 1.08(4) . ?
C00C C00U 1.516(4) . ?
C00C H00C 0.92(4) . ?
C00C H00D 0.99(4) . ?
C00D C00L 1.362(5) . ?
C00D H00E 0.91(4) . ?
B00E B00H 1.756(3) . ?
B00E B00N 1.743(4) . ?
B00E B00P 1.768(4) . ?
B00E H00F 1.13(2) . ?
C00F H00G 1.01(3) . ?
C00F H00H 0.95(4) . ?
C00G C00I 1.360(4) . ?
C00G H00I 0.97(4) . ?
B00H B00O 1.742(4) . ?
B00H B00P 1.766(3) . ?
B00H H00J 1.06(2) . ?
C00I C00K 1.373(5) . ?
C00I H00K 1.03(3) . ?
B00J B00N 1.782(4) . ?
B00J B00Q 1.773(4) . ?
B00J B00T 1.846(4) . ?
B00J H00L 1.08(3) . ?
B00J H00M 1.20(3) . ?
C00K H00N 0.96(4) . ?
C00L C00R 1.353(5) . ?
C00L H00O 0.90(3) . ?
C00M H00P 0.9700 . ?
C00M H00Q 0.9700 . ?
C00M C00U 1.498(5) . ?
B00N B00P 1.777(4) . ?
B00N B00Q 1.801(4) . ?
B00N H00R 1.09(2) . ?
B00O B00P 1.744(4) . ?
B00O B00Q 1.763(4) . ?
B00O B00T 1.792(4) . ?
B00O H00S 1.13(3) . ?
B00P B00Q 1.799(4) . ?
B00P H00T 1.09(3) . ?
B00Q B00T 1.777(4) . ?
B00Q H00U 1.11(3) . ?
C00R H00V 1.14(4) . ?
O00S C00V 1.209(4) . ?
B00T H00W 1.08(3) . ?
B00T H00M 1.37(2) . ?
C00U H00X 1.06(5) . ?
C00U H00Y 0.96(2) . ?
C00V C00W 1.426(6) . ?
C00V C00X 1.476(7) . ?
C00W H00Z 0.9600 . ?
C00W H 0.9600 . ?
C00W HA 0.9600 . ?
C00X H00 0.9600 . ?
C00X HB 0.9600 . ?
C00X HC 0.9600 . ?
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
N001 B00A B00E C003 -112.45(19) . . . . ?
N001 B00A B00E B00H -144.68(18) . . . . ?
N001 B00A B00E B00N 113.14(19) . . . . ?
N001 B00A B00E B00P 152.31(17) . . . . ?
N001 B00A B00J B00N -112.3(2) . . . . ?
N001 B00A B00J B00Q -153.06(18) . . . . ?
N001 B00A B00J B00T 146.57(19) . . . . ?
N001 B00A B00N B00E -106.2(2) . . . . ?
N001 B00A B00N B00J 111.2(2) . . . . ?
N001 B00A B00N B00P -145.34(19) . . . . ?
N001 B00A B00N B00Q 151.34(19) . . . . ?
N001 C00C C00U C00M -56.6(4) . . . . ?
C002 C003 C005 C004 -2.5(3) . . . . ?
C002 C003 C005 B00H 105.63(19) . . . . ?
C002 C003 C005 B00O 145.41(18) . . . . ?
C002 C003 C005 B00T -144.52(19) . . . . ?
C002 C003 B00A N001 -3.0(3) . . . . ?
C002 C003 B00A B00E -110.7(2) . . . . ?
C002 C003 B00A B00J 144.90(19) . . . . ?
C002 C003 B00A B00N -150.93(18) . . . . ?
C002 C003 B00E B00A 113.3(2) . . . . ?
C002 C003 B00E B00H -103.2(2) . . . . ?
C002 C003 B00E B00N 152.16(17) . . . . ?
C002 C003 B00E B00P -145.40(19) . . . . ?
C002 C003 B00H C005 -107.32(17) . . . . ?
C002 C003 B00H B00E 112.36(18) . . . . ?
C002 C003 B00H B00O -143.85(17) . . . . ?
C002 C003 B00H B00P 154.71(17) . . . . ?
C002 C006 C00D C00L -0.1(4) . . . . ?
C002 C007 C00R C00L -0.3(5) . . . . ?
C003 C002 C006 C00D 178.0(2) . . . . ?
C003 C002 C007 C00R -177.9(2) . . . . ?
C003 C005 B00H B00E 34.86(15) . . . . ?
C003 C005 B00H B00O 137.22(17) . . . . ?
C003 C005 B00H B00P 97.42(17) . . . . ?
C003 C005 B00O B00H -40.58(16) . . . . ?
C003 C005 B00O B00P 0.2(2) . . . . ?
C003 C005 B00O B00Q 64.2(2) . . . . ?
C003 C005 B00O B00T 102.90(18) . . . . ?
C003 C005 B00T B00J -4.9(2) . . . . ?
C003 C005 B00T B00O -104.77(18) . . . . ?
C003 C005 B00T B00Q -66.1(2) . . . . ?
C003 B00A B00E B00H -32.23(15) . . . . ?
C003 B00A B00E B00N -134.41(16) . . . . ?
C003 B00A B00E B00P -95.24(16) . . . . ?
C003 B00A B00J B00N 100.07(18) . . . . ?
C003 B00A B00J B00Q 59.3(2) . . . . ?
C003 B00A B00J B00T -1.1(2) . . . . ?
C003 B00A B00N B00E 41.28(15) . . . . ?
C003 B00A B00N B00J -101.35(17) . . . . ?
C003 B00A B00N B00P 2.1(2) . . . . ?
C003 B00A B00N B00Q -61.2(2) . . . . ?
C003 B00E B00H C005 -32.80(14) . . . . ?
C003 B00E B00H B00O -94.31(18) . . . . ?
C003 B00E B00H B00P -131.27(18) . . . . ?
C003 B00E B00N B00A -36.60(14) . . . . ?
C003 B00E B00N B00J -1.9(2) . . . . ?
C003 B00E B00N B00P 99.64(17) . . . . ?
C003 B00E B00N B00Q 61.5(2) . . . . ?
C003 B00E B00P B00H 41.90(15) . . . . ?
C003 B00E B00P B00N -95.58(17) . . . . ?
C003 B00E B00P B00O 5.1(2) . . . . ?
C003 B00E B00P B00Q -57.7(2) . . . . ?
C003 B00H B00O C005 34.77(13) . . . . ?
C003 B00H B00O B00P -99.32(18) . . . . ?
C003 B00H B00O B00Q -59.7(2) . . . . ?
C003 B00H B00O B00T 3.8(2) . . . . ?
C003 B00H B00P B00E -42.13(15) . . . . ?
C003 B00H B00P B00N -5.0(2) . . . . ?
C003 B00H B00P B00O 96.38(18) . . . . ?
C003 B00H B00P B00Q 58.4(2) . . . . ?
C004 C005 B00H C003 110.73(19) . . . . ?
C004 C005 B00H B00E 145.59(18) . . . . ?
C004 C005 B00H B00O -112.1(2) . . . . ?
C004 C005 B00H B00P -151.85(17) . . . . ?
C004 C005 B00O B00H 106.7(2) . . . . ?
C004 C005 B00O B00P 147.5(2) . . . . ?
C004 C005 B00O B00Q -148.49(19) . . . . ?
C004 C005 B00O B00T -109.8(2) . . . . ?
C004 C005 B00T B00J -147.15(19) . . . . ?
C004 C005 B00T B00O 113.0(2) . . . . ?
C004 C005 B00T B00Q 151.64(19) . . . . ?
C004 C008 C00K C00I 0.4(4) . . . . ?
C004 C009 C00G C00I 1.1(5) . . . . ?
C005 C003 B00A N001 -149.73(17) . . . . ?
C005 C003 B00A B00E 102.52(18) . . . . ?
C005 C003 B00A B00J -1.9(2) . . . . ?
C005 C003 B00A B00N 62.3(2) . . . . ?
C005 C003 B00E B00A -106.52(17) . . . . ?
C005 C003 B00E B00H 37.00(16) . . . . ?
C005 C003 B00E B00N -67.63(19) . . . . ?
C005 C003 B00E B00P -5.2(2) . . . . ?
C005 C003 B00H B00E -140.31(17) . . . . ?
C005 C003 B00H B00O -36.52(14) . . . . ?
C005 C003 B00H B00P -97.97(17) . . . . ?
C005 C004 C008 C00K 178.0(2) . . . . ?
C005 C004 C009 C00G -178.9(2) . . . . ?
C005 B00H B00O B00P -134.09(18) . . . . ?
C005 B00H B00O B00Q -94.4(2) . . . . ?
C005 B00H B00O B00T -30.98(15) . . . . ?
C005 B00H B00P B00E -99.11(18) . . . . ?
C005 B00H B00P B00N -62.0(2) . . . . ?
C005 B00H B00P B00O 39.40(16) . . . . ?
C005 B00H B00P B00Q 1.4(2) . . . . ?
C005 B00O B00P B00E -3.5(2) . . . . ?
C005 B00O B00P B00H -40.25(17) . . . . ?
C005 B00O B00P B00N 58.7(2) . . . . ?
C005 B00O B00P B00Q 96.6(2) . . . . ?
C005 B00O B00Q B00J -1.3(2) . . . . ?
C005 B00O B00Q B00N -64.6(2) . . . . ?
C005 B00O B00Q B00P -101.50(18) . . . . ?
C005 B00O B00Q B00T 36.65(15) . . . . ?
C005 B00O B00T B00J -100.40(17) . . . . ?
C005 B00O B00T B00Q -135.40(18) . . . . ?
C006 C002 C003 C005 -104.6(2) . . . . ?
C006 C002 C003 B00A 109.4(2) . . . . ?
C006 C002 C003 B00E 33.7(3) . . . . ?
C006 C002 C003 B00H -35.5(3) . . . . ?
C006 C002 C007 C00R 0.5(4) . . . . ?
C006 C00D C00L C00R 0.3(5) . . . . ?
C007 C002 C003 C005 73.7(2) . . . . ?
C007 C002 C003 B00A -72.3(3) . . . . ?
C007 C002 C003 B00E -148.0(2) . . . . ?
C007 C002 C003 B00H 142.9(2) . . . . ?
C007 C002 C006 C00D -0.3(4) . . . . ?
C008 C004 C005 C003 90.6(3) . . . . ?
C008 C004 C005 B00H 17.4(3) . . . . ?
C008 C004 C005 B00O -54.1(3) . . . . ?
C008 C004 C005 B00T -130.7(2) . . . . ?
C008 C004 C009 C00G -1.8(4) . . . . ?
C009 C004 C005 C003 -92.4(3) . . . . ?
C009 C004 C005 B00H -165.6(2) . . . . ?
C009 C004 C005 B00O 122.9(2) . . . . ?
C009 C004 C005 B00T 46.3(3) . . . . ?
C009 C004 C008 C00K 1.0(4) . . . . ?
C009 C00G C00I C00K 0.3(5) . . . . ?
B00A N001 C00C C00U -178.2(3) . . . . ?
B00A N001 C00F C00B 178.8(2) . . . . ?
B00A C003 C005 C004 146.46(19) . . . . ?
B00A C003 C005 B00H -105.43(18) . . . . ?
B00A C003 C005 B00O -65.7(2) . . . . ?
B00A C003 C005 B00T 4.4(2) . . . . ?
B00A C003 B00E B00H 143.52(17) . . . . ?
B00A C003 B00E B00N 38.89(15) . . . . ?
B00A C003 B00E B00P 101.33(18) . . . . ?
B00A C003 B00H C005 104.85(17) . . . . ?
B00A C003 B00H B00E -35.46(16) . . . . ?
B00A C003 B00H B00O 68.33(19) . . . . ?
B00A C003 B00H B00P 6.9(2) . . . . ?
B00A B00E B00H C003 30.38(14) . . . . ?
B00A B00E B00H C005 -2.4(2) . . . . ?
B00A B00E B00H B00O -63.9(2) . . . . ?
B00A B00E B00H B00P -100.88(19) . . . . ?
B00A B00E B00N B00J 34.70(17) . . . . ?
B00A B00E B00N B00P 136.25(17) . . . . ?
B00A B00E B00N B00Q 98.10(19) . . . . ?
B00A B00E B00P B00H 98.94(17) . . . . ?
B00A B00E B00P B00N -38.54(15) . . . . ?
B00A B00E B00P B00O 62.2(2) . . . . ?
B00A B00E B00P B00Q -0.6(2) . . . . ?
B00A B00J B00N B00E -34.76(17) . . . . ?
B00A B00J B00N B00P -99.78(18) . . . . ?
B00A B00J B00N B00Q -133.75(17) . . . . ?
B00A B00J B00Q B00N 39.60(15) . . . . ?
B00A B00J B00Q B00O -56.8(2) . . . . ?
B00A B00J B00Q B00P 6.3(2) . . . . ?
B00A B00J B00Q B00T -93.95(17) . . . . ?
B00A B00J B00T C005 3.6(2) . . . . ?
B00A B00J B00T B00O 65.8(2) . . . . ?
B00A B00J B00T B00Q 101.02(19) . . . . ?
B00A B00N B00P B00E 39.41(16) . . . . ?
B00A B00N B00P B00H 2.0(2) . . . . ?
B00A B00N B00P B00O -60.6(2) . . . . ?
B00A B00N B00P B00Q -98.14(18) . . . . ?
B00A B00N B00Q B00J -40.86(16) . . . . ?
B00A B00N B00Q B00O 65.4(2) . . . . ?
B00A B00N B00Q B00P 102.02(18) . . . . ?
B00A B00N B00Q B00T 1.6(2) . . . . ?
C00B C00M C00U C00C 54.5(4) . . . . ?
C00C N001 B00A C003 94.3(3) . . . . ?
C00C N001 B00A B00E 167.0(2) . . . . ?
C00C N001 B00A B00J -49.1(3) . . . . ?
C00C N001 B00A B00N -122.7(2) . . . . ?
C00C N001 C00F C00B -56.1(3) . . . . ?
C00D C00L C00R C007 -0.1(5) . . . . ?
B00E C003 C005 C004 -144.65(18) . . . . ?
B00E C003 C005 B00H -36.54(16) . . . . ?
B00E C003 C005 B00O 3.2(2) . . . . ?
B00E C003 C005 B00T 73.3(2) . . . . ?
B00E C003 B00A N001 107.8(2) . . . . ?
B00E C003 B00A B00J -104.37(18) . . . . ?
B00E C003 B00A B00N -40.20(15) . . . . ?
B00E C003 B00H C005 140.31(17) . . . . ?
B00E C003 B00H B00O 103.79(18) . . . . ?
B00E C003 B00H B00P 42.35(16) . . . . ?
B00E B00A B00J B00N 34.06(16) . . . . ?
B00E B00A B00J B00Q -6.7(2) . . . . ?
B00E B00A B00J B00T -67.1(2) . . . . ?
B00E B00A B00N B00J -142.63(17) . . . . ?
B00E B00A B00N B00P -39.15(17) . . . . ?
B00E B00A B00N B00Q -102.46(19) . . . . ?
B00E B00H B00O C005 96.84(17) . . . . ?
B00E B00H B00O B00P -37.25(17) . . . . ?
B00E B00H B00O B00Q 2.4(2) . . . . ?
B00E B00H B00O B00T 65.9(2) . . . . ?
B00E B00H B00P B00N 37.11(16) . . . . ?
B00E B00H B00P B00O 138.5(2) . . . . ?
B00E B00H B00P B00Q 100.5(2) . . . . ?
B00E B00N B00P B00H -37.42(16) . . . . ?
B00E B00N B00P B00O -100.01(18) . . . . ?
B00E B00N B00P B00Q -137.55(18) . . . . ?
B00E B00N B00Q B00J -104.76(19) . . . . ?
B00E B00N B00Q B00O 1.5(3) . . . . ?
B00E B00N B00Q B00P 38.12(17) . . . . ?
B00E B00N B00Q B00T -62.3(2) . . . . ?
B00E B00P B00Q B00J -3.6(2) . . . . ?
B00E B00P B00Q B00N -37.22(16) . . . . ?
B00E B00P B00Q B00O 100.54(18) . . . . ?
B00E B00P B00Q B00T 62.9(2) . . . . ?
C00F N001 B00A C003 -142.0(2) . . . . ?
C00F N001 B00A B00E -69.3(3) . . . . ?
C00F N001 B00A B00J 74.6(3) . . . . ?
C00F N001 B00A B00N 1.1(3) . . . . ?
C00F N001 C00C C00U 56.2(4) . . . . ?
C00F C00B C00M C00U -54.5(4) . . . . ?
C00G C00I C00K C008 -1.0(5) . . . . ?
B00H C003 C005 C004 -108.1(2) . . . . ?
B00H C003 C005 B00O 39.78(17) . . . . ?
B00H C003 C005 B00T 109.85(19) . . . . ?
B00H C003 B00A N001 142.22(18) . . . . ?
B00H C003 B00A B00E 34.47(16) . . . . ?
B00H C003 B00A B00J -69.9(2) . . . . ?
B00H C003 B00A B00N -5.7(2) . . . . ?
B00H C003 B00E B00A -143.52(17) . . . . ?
B00H C003 B00E B00N -104.63(18) . . . . ?
B00H C003 B00E B00P -42.19(16) . . . . ?
B00H C005 B00O B00P 40.80(17) . . . . ?
B00H C005 B00O B00Q 104.82(19) . . . . ?
B00H C005 B00O B00T 143.48(17) . . . . ?
B00H C005 B00T B00J 64.3(2) . . . . ?
B00H C005 B00T B00O -35.57(17) . . . . ?
B00H C005 B00T B00Q 3.1(2) . . . . ?
B00H B00E B00N B00A -98.12(17) . . . . ?
B00H B00E B00N B00J -63.4(2) . . . . ?
B00H B00E B00N B00P 38.13(17) . . . . ?
B00H B00E B00N B00Q 0.0(2) . . . . ?
B00H B00E B00P B00N -137.48(19) . . . . ?
B00H B00E B00P B00O -36.77(17) . . . . ?
B00H B00E B00P B00Q -99.55(18) . . . . ?
B00H B00O B00P B00E 36.80(17) . . . . ?
B00H B00O B00P B00N 98.92(19) . . . . ?
B00H B00O B00P B00Q 136.8(2) . . . . ?
B00H B00O B00Q B00J 61.0(2) . . . . ?
B00H B00O B00Q B00N -2.4(3) . . . . ?
B00H B00O B00Q B00P -39.27(18) . . . . ?
B00H B00O B00Q B00T 98.88(19) . . . . ?
B00H B00O B00T C005 32.50(15) . . . . ?
B00H B00O B00T B00J -67.9(2) . . . . ?
B00H B00O B00T B00Q -102.89(19) . . . . ?
B00H B00P B00Q B00J -66.2(2) . . . . ?
B00H B00P B00Q B00N -99.79(19) . . . . ?
B00H B00P B00Q B00O 37.97(17) . . . . ?
B00H B00P B00Q B00T 0.3(2) . . . . ?
B00J B00A B00E C003 99.89(17) . . . . ?
B00J B00A B00E B00H 67.7(2) . . . . ?
B00J B00A B00E B00N -34.52(16) . . . . ?
B00J B00A B00E B00P 4.7(2) . . . . ?
B00J B00A B00N B00E 142.63(17) . . . . ?
B00J B00A B00N B00P 103.48(19) . . . . ?
B00J B00A B00N B00Q 40.17(17) . . . . ?
B00J B00N B00P B00E 104.00(19) . . . . ?
B00J B00N B00P B00H 66.6(2) . . . . ?
B00J B00N B00P B00O 4.0(2) . . . . ?
B00J B00N B00P B00Q -33.55(16) . . . . ?
B00J B00N B00Q B00O 106.2(2) . . . . ?
B00J B00N B00Q B00P 142.88(18) . . . . ?
B00J B00N B00Q B00T 42.42(18) . . . . ?
B00J B00Q B00T C005 101.38(18) . . . . ?
B00J B00Q B00T B00O 140.01(18) . . . . ?
C00M C00B C00F N001 56.4(4) . . . . ?
B00N B00A B00E C003 134.41(16) . . . . ?
B00N B00A B00E B00H 102.18(18) . . . . ?
B00N B00A B00E B00P 39.17(15) . . . . ?
B00N B00A B00J B00Q -40.80(16) . . . . ?
B00N B00A B00J B00T -101.17(19) . . . . ?
B00N B00E B00H C003 92.84(18) . . . . ?
B00N B00E B00H C005 60.0(2) . . . . ?
B00N B00E B00H B00O -1.5(2) . . . . ?
B00N B00E B00H B00P -38.42(18) . . . . ?
B00N B00E B00P B00H 137.48(19) . . . . ?
B00N B00E B00P B00O 100.7(2) . . . . ?
B00N B00E B00P B00Q 37.93(16) . . . . ?
B00N B00J B00Q B00O -96.4(2) . . . . ?
B00N B00J B00Q B00P -33.34(16) . . . . ?
B00N B00J B00Q B00T -133.55(17) . . . . ?
B00N B00J B00T C005 -56.5(2) . . . . ?
B00N B00J B00T B00O 5.7(2) . . . . ?
B00N B00J B00T B00Q 41.00(17) . . . . ?
B00N B00P B00Q B00J 33.60(16) . . . . ?
B00N B00P B00Q B00O 137.76(19) . . . . ?
B00N B00P B00Q B00T 100.1(2) . . . . ?
B00N B00Q B00T C005 60.4(2) . . . . ?
B00N B00Q B00T B00J -41.03(17) . . . . ?
B00N B00Q B00T B00O 99.0(2) . . . . ?
B00O C005 B00H C003 -137.22(17) . . . . ?
B00O C005 B00H B00E -102.36(18) . . . . ?
B00O C005 B00H B00P -39.80(16) . . . . ?
B00O C005 B00T B00J 99.87(19) . . . . ?
B00O C005 B00T B00Q 38.66(17) . . . . ?
B00O B00H B00P B00E -138.5(2) . . . . ?
B00O B00H B00P B00N -101.4(2) . . . . ?
B00O B00H B00P B00Q -38.02(18) . . . . ?
B00O B00P B00Q B00J -104.16(19) . . . . ?
B00O B00P B00Q B00N -137.76(19) . . . . ?
B00O B00P B00Q B00T -37.66(18) . . . . ?
B00O B00Q B00T C005 -38.63(17) . . . . ?
B00O B00Q B00T B00J -140.01(18) . . . . ?
B00P B00E B00H C003 131.27(18) . . . . ?
B00P B00E B00H C005 98.47(18) . . . . ?
B00P B00E B00H B00O 36.96(18) . . . . ?
B00P B00E B00N B00A -136.25(17) . . . . ?
B00P B00E B00N B00J -101.6(2) . . . . ?
B00P B00E B00N B00Q -38.15(18) . . . . ?
B00P B00H B00O C005 134.09(18) . . . . ?
B00P B00H B00O B00Q 39.67(19) . . . . ?
B00P B00H B00O B00T 103.11(19) . . . . ?
B00P B00N B00Q B00J -142.88(18) . . . . ?
B00P B00N B00Q B00O -36.65(18) . . . . ?
B00P B00N B00Q B00T -100.5(2) . . . . ?
B00P B00O B00Q B00J 100.2(2) . . . . ?
B00P B00O B00Q B00N 36.89(18) . . . . ?
B00P B00O B00Q B00T 138.16(19) . . . . ?
B00P B00O B00T C005 96.88(18) . . . . ?
B00P B00O B00T B00J -3.5(2) . . . . ?
B00P B00O B00T B00Q -38.52(17) . . . . ?
B00P B00Q B00T C005 -2.0(2) . . . . ?
B00P B00Q B00T B00J -103.33(19) . . . . ?
B00P B00Q B00T B00O 36.68(17) . . . . ?
B00Q B00J B00N B00A 133.75(17) . . . . ?
B00Q B00J B00N B00E 98.98(19) . . . . ?
B00Q B00J B00N B00P 33.97(16) . . . . ?
B00Q B00J B00T C005 -97.5(2) . . . . ?
B00Q B00J B00T B00O -35.26(17) . . . . ?
B00Q B00N B00P B00E 137.55(18) . . . . ?
B00Q B00N B00P B00H 100.13(19) . . . . ?
B00Q B00N B00P B00O 37.54(17) . . . . ?
B00Q B00O B00P B00E -100.0(2) . . . . ?
B00Q B00O B00P B00H -136.8(2) . . . . ?
B00Q B00O B00P B00N -37.92(18) . . . . ?
B00Q B00O B00T C005 135.40(18) . . . . ?
B00Q B00O B00T B00J 35.00(16) . . . . ?
B00T C005 B00H C003 -100.33(18) . . . . ?
B00T C005 B00H B00E -65.5(2) . . . . ?
B00T C005 B00H B00O 36.89(18) . . . . ?
B00T C005 B00H B00P -2.9(2) . . . . ?
B00T C005 B00O B00H -143.48(17) . . . . ?
B00T C005 B00O B00P -102.7(2) . . . . ?
B00T C005 B00O B00Q -38.66(17) . . . . ?
B00T B00J B00N B00A 93.78(16) . . . . ?
B00T B00J B00N B00E 59.0(2) . . . . ?
B00T B00J B00N B00P -6.0(2) . . . . ?
B00T B00J B00N B00Q -39.96(16) . . . . ?
B00T B00J B00Q B00N 133.55(17) . . . . ?
B00T B00J B00Q B00O 37.17(17) . . . . ?
B00T B00J B00Q B00P 100.21(18) . . . . ?
B00T B00O B00P B00E -62.3(2) . . . . ?
B00T B00O B00P B00H -99.09(19) . . . . ?
B00T B00O B00P B00N -0.2(2) . . . . ?
B00T B00O B00P B00Q 37.75(17) . . . . ?
B00T B00O B00Q B00J -37.93(18) . . . . ?
B00T B00O B00Q B00N -101.3(2) . . . . ?
B00T B00O B00Q B00P -138.16(19) . . . . ?
