#------------------------------------------------------------------------------
#$Date: 2019-11-25 16:21:34 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241304 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/09/4130984.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_4130984
loop_
_publ_author_name
'Yu, Chung-Jui'
'Graham, Michael J.'
'Zadrozny, Joseph M.'
'Niklas, Jens'
'Krzyaniak, Matthew D.'
'Wasielewski, Michael R.'
'Poluektov, Oleg G.'
'Freedman, Danna E.'
_publ_section_title
;
 Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.
;
_journal_issue                   44
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14678
_journal_page_last               14685
_journal_paper_doi               10.1021/jacs.6b08467
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C6 O S10 V, 2(C24 H20 P)'
_chemical_formula_sum            'C54 H40 O P2 S10 V'
_chemical_formula_weight         1138.34
_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   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-08-03
_audit_creation_method
;
Olex2 1.2
(compiled Jan 19 2015 12:28:14 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 94.8660(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.1320(5)
_cell_length_b                   12.5660(4)
_cell_length_c                   20.6518(6)
_cell_measurement_reflns_used    9856
_cell_measurement_temperature    100.06
_cell_measurement_theta_max      30.49
_cell_measurement_theta_min      2.69
_cell_volume                     5205.6(3)
_computing_cell_refinement       'SAINT V8.34A (Bruker, 2013)'
_computing_data_collection       'APEX2 V2014.11-0 (Bruker, 2014)'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.06
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'QuazarTM optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0191
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            75549
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.520
_diffrn_reflns_theta_min         2.690
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6972
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014) was used for absorption correction. wR2(int) was 0.0976 before and 0.0421 after correction. The Ratio of minimum to maximum transmission is 0.9345. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_description       block
_exptl_crystal_F_000             2340
_exptl_crystal_size_max          0.258
_exptl_crystal_size_mid          0.101
_exptl_crystal_size_min          0.092
_refine_diff_density_max         0.402
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         7939
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0305
_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)+(0.0353P)²+6.0233P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0773
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7004
_reflns_number_total             7939
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja6b08467_si_004.cif
_cod_data_source_block           compdata
_cod_database_code               4130984
_shelxl_version_number           2014/6
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00C(H00C), C00D(H00D), C00E(H00E), C00H(H00H), C00J(H00J),
 C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00V(H00V), C00X(H00X),
 C00Y(H00Y), C00Z(H00Z)
;
_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
V001 V 0.5000 0.08170(2) 0.7500 0.01551(6) Uani 1 2 d S T P
S002 S 0.30435(2) -0.00785(3) 0.60059(2) 0.02062(7) Uani 1 1 d . . .
P003 P 0.59242(2) 0.62705(3) 0.60004(2) 0.01697(7) Uani 1 1 d . . .
S004 S 0.41826(2) -0.01932(3) 0.52619(2) 0.02102(7) Uani 1 1 d . . .
S005 S 0.51703(2) 0.02034(3) 0.64297(2) 0.01939(7) Uani 1 1 d . . .
S006 S 0.38553(2) 0.03367(3) 0.72727(2) 0.02230(7) Uani 1 1 d . . .
S007 S 0.28224(2) -0.05270(3) 0.45860(2) 0.02504(8) Uani 1 1 d . . .
O008 O 0.5000 0.20933(11) 0.7500 0.0265(3) Uani 1 2 d S T P
C009 C 0.60955(6) 0.48765(10) 0.60921(6) 0.0183(2) Uani 1 1 d . . .
C00A C 0.63720(6) 0.42996(10) 0.56043(6) 0.0204(2) Uani 1 1 d . . .
H00A H 0.6480 0.4646 0.5218 0.025 Uiso 1 1 calc R . .
C00B C 0.65226(6) 0.70407(10) 0.64935(6) 0.0189(2) Uani 1 1 d . . .
C00C C 0.69740(6) 0.65638(11) 0.69542(6) 0.0221(3) Uani 1 1 d . . .
H00C H 0.6967 0.5816 0.7019 0.027 Uiso 1 1 calc R . .
C00D C 0.59436(7) 0.43655(11) 0.66638(7) 0.0227(3) Uani 1 1 d . . .
H00D H 0.5758 0.4757 0.6998 0.027 Uiso 1 1 calc R . .
C00E C 0.54303(6) 0.69718(10) 0.47699(6) 0.0213(2) Uani 1 1 d . . .
H00E H 0.5000 0.6962 0.4926 0.026 Uiso 1 1 calc R . .
C00F C 0.50937(6) 0.64856(11) 0.62259(6) 0.0203(2) Uani 1 1 d . . .
C00G C 0.59903(6) 0.66840(10) 0.51771(6) 0.0182(2) Uani 1 1 d . . .
C00H C 0.65384(7) 0.81434(11) 0.63902(7) 0.0223(3) Uani 1 1 d . . .
H00H H 0.6240 0.8464 0.6066 0.027 Uiso 1 1 calc R . .
C00I C 0.38127(6) 0.01383(10) 0.64387(6) 0.0187(2) Uani 1 1 d . . .
C00J C 0.60655(7) 0.32839(12) 0.67391(7) 0.0257(3) Uani 1 1 d . . .
H00J H 0.5964 0.2934 0.7126 0.031 Uiso 1 1 calc R . .
C00K C 0.74366(7) 0.82876(12) 0.72288(7) 0.0275(3) Uani 1 1 d . . .
H00K H 0.7745 0.8716 0.7487 0.033 Uiso 1 1 calc R . .
C00L C 0.63349(7) 0.27121(11) 0.62506(7) 0.0260(3) Uani 1 1 d . . .
H00L H 0.6414 0.1971 0.6304 0.031 Uiso 1 1 calc R . .
C00M C 0.66260(6) 0.67145(11) 0.49493(6) 0.0214(2) Uani 1 1 d . . .
H00M H 0.7008 0.6530 0.5229 0.026 Uiso 1 1 calc R . .
C00N C 0.55086(7) 0.72729(11) 0.41344(7) 0.0257(3) Uani 1 1 d . . .
H00N H 0.5130 0.7466 0.3854 0.031 Uiso 1 1 calc R . .
C00O C 0.64898(7) 0.32126(11) 0.56865(7) 0.0242(3) Uani 1 1 d . . .
H00O H 0.6676 0.2816 0.5355 0.029 Uiso 1 1 calc R . .
C00P C 0.74341(7) 0.71960(12) 0.73181(7) 0.0267(3) Uani 1 1 d . . .
H00P H 0.7748 0.6877 0.7629 0.032 Uiso 1 1 calc R . .
C00Q C 0.66944(7) 0.70148(11) 0.43136(7) 0.0241(3) Uani 1 1 d . . .
H00Q H 0.7124 0.7031 0.4155 0.029 Uiso 1 1 calc R . .
C00R C 0.49310(7) 0.73769(11) 0.65826(7) 0.0239(3) Uani 1 1 d . . .
H00R H 0.5266 0.7873 0.6731 0.029 Uiso 1 1 calc R . .
C00S C 0.69932(7) 0.87605(11) 0.67654(7) 0.0255(3) Uani 1 1 d . . .
H00S H 0.7001 0.9510 0.6705 0.031 Uiso 1 1 calc R . .
C00T C 0.46026(7) 0.57420(12) 0.60179(7) 0.0264(3) Uani 1 1 d . . .
H00T H 0.4717 0.5128 0.5783 0.032 Uiso 1 1 calc R . .
C00U C 0.43538(6) 0.00771(10) 0.60895(6) 0.0183(2) Uani 1 1 d . . .
C00V C 0.61375(8) 0.72930(11) 0.39067(7) 0.0253(3) Uani 1 1 d . . .
H00V H 0.6187 0.7498 0.3471 0.030 Uiso 1 1 calc R . .
C00W C 0.33250(6) -0.02832(10) 0.52486(6) 0.0197(2) Uani 1 1 d . . .
C00X C 0.37843(7) 0.68085(14) 0.65006(7) 0.0309(3) Uani 1 1 d . . .
H00X H 0.3334 0.6929 0.6586 0.037 Uiso 1 1 calc R . .
C00Y C 0.39470(7) 0.59061(14) 0.61564(7) 0.0310(3) Uani 1 1 d . . .
H00Y H 0.3611 0.5405 0.6017 0.037 Uiso 1 1 calc R . .
C00Z C 0.42707(7) 0.75320(12) 0.67192(7) 0.0287(3) Uani 1 1 d . . .
H00Z H 0.4155 0.8136 0.6963 0.034 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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
S005 V001 S005 142.41(2) . 2_656
S006 V001 S005 87.048(11) . .
S006 V001 S005 87.049(11) 2_656 2_656
S006 V001 S005 83.611(11) 2_656 .
S006 V001 S005 83.613(11) . 2_656
S006 V001 S006 150.74(2) . 2_656
O008 V001 S005 108.797(10) . 2_656
O008 V001 S005 108.797(10) . .
O008 V001 S006 104.629(11) . .
O008 V001 S006 104.629(11) . 2_656
C00W S002 C00I 98.18(6) . .
C009 P003 C00B 110.71(6) . .
C009 P003 C00F 107.16(6) . .
C009 P003 C00G 110.74(6) . .
C00B P003 C00F 111.55(6) . .
C00B P003 C00G 106.36(6) . .
C00G P003 C00F 110.38(6) . .
C00W S004 C00U 98.17(6) . .
C00U S005 V001 101.41(4) . .
C00I S006 V001 101.36(4) . .
C00A C009 P003 121.11(10) . .
C00A C009 C00D 119.97(12) . .
C00D C009 P003 118.91(10) . .
C009 C00A H00A 120.1 . .
C00O C00A C009 119.70(13) . .
C00O C00A H00A 120.1 . .
C00C C00B P003 121.54(10) . .
C00C C00B C00H 120.43(12) . .
C00H C00B P003 118.01(10) . .
C00B C00C H00C 120.4 . .
C00P C00C C00B 119.26(13) . .
C00P C00C H00C 120.4 . .
C009 C00D H00D 120.2 . .
C00J C00D C009 119.64(13) . .
C00J C00D H00D 120.2 . .
C00G C00E H00E 120.3 . .
C00N C00E H00E 120.3 . .
C00N C00E C00G 119.32(12) . .
C00R C00F P003 121.60(10) . .
C00R C00F C00T 120.42(12) . .
C00T C00F P003 117.96(10) . .
C00E C00G P003 121.68(10) . .
C00E C00G C00M 120.32(12) . .
C00M C00G P003 118.01(9) . .
C00B C00H H00H 120.3 . .
C00S C00H C00B 119.36(13) . .
C00S C00H H00H 120.3 . .
S006 C00I S002 119.91(7) . .
C00U C00I S002 115.88(10) . .
C00U C00I S006 124.11(10) . .
C00D C00J H00J 119.9 . .
C00L C00J C00D 120.18(13) . .
C00L C00J H00J 119.9 . .
C00P C00K H00K 119.7 . .
C00P C00K C00S 120.50(13) . .
C00S C00K H00K 119.7 . .
C00J C00L H00L 119.7 . .
C00O C00L C00J 120.51(13) . .
C00O C00L H00L 119.7 . .
C00G C00M H00M 120.2 . .
C00Q C00M C00G 119.55(12) . .
C00Q C00M H00M 120.2 . .
C00E C00N H00N 119.8 . .
C00E C00N C00V 120.37(13) . .
C00V C00N H00N 119.8 . .
C00A C00O H00O 120.0 . .
C00L C00O C00A 120.00(13) . .
C00L C00O H00O 120.0 . .
C00C C00P H00P 119.9 . .
C00K C00P C00C 120.24(13) . .
C00K C00P H00P 119.9 . .
C00M C00Q H00Q 119.9 . .
C00M C00Q C00V 120.19(13) . .
C00V C00Q H00Q 119.9 . .
C00F C00R H00R 120.4 . .
C00F C00R C00Z 119.29(13) . .
C00Z C00R H00R 120.4 . .
C00H C00S C00K 120.17(13) . .
C00H C00S H00S 119.9 . .
C00K C00S H00S 119.9 . .
C00F C00T H00T 120.1 . .
C00Y C00T C00F 119.72(13) . .
C00Y C00T H00T 120.1 . .
S005 C00U S004 120.92(7) . .
C00I C00U S004 115.45(10) . .
C00I C00U S005 123.59(10) . .
C00N C00V H00V 119.9 . .
C00Q C00V C00N 120.25(13) . .
C00Q C00V H00V 119.9 . .
S002 C00W S004 112.33(7) . .
S007 C00W S002 123.37(8) . .
S007 C00W S004 124.31(8) . .
C00Y C00X H00X 119.6 . .
C00Z C00X H00X 119.6 . .
C00Z C00X C00Y 120.75(13) . .
C00T C00Y C00X 119.65(14) . .
C00T C00Y H00Y 120.2 . .
C00X C00Y H00Y 120.2 . .
C00R C00Z H00Z 119.9 . .
C00X C00Z C00R 120.13(14) . .
C00X C00Z H00Z 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V001 S005 2.3931(3) .
V001 S005 2.3931(3) 2_656
V001 S006 2.3899(3) .
V001 S006 2.3899(3) 2_656
V001 O008 1.6038(14) .
S002 C00I 1.7425(13) .
S002 C00W 1.7274(13) .
P003 C009 1.7922(13) .
P003 C00B 1.7934(13) .
P003 C00F 1.7938(13) .
P003 C00G 1.7937(13) .
S004 C00U 1.7479(13) .
S004 C00W 1.7281(13) .
S005 C00U 1.7393(13) .
S006 C00I 1.7350(13) .
S007 C00W 1.6599(13) .
C009 C00A 1.3948(18) .
C009 C00D 1.4003(18) .
C00A H00A 0.9500 .
C00A C00O 1.3943(18) .
C00B C00C 1.3942(18) .
C00B C00H 1.4027(19) .
C00C H00C 0.9500 .
C00C C00P 1.3913(19) .
C00D H00D 0.9500 .
C00D C00J 1.387(2) .
C00E H00E 0.9500 .
C00E C00G 1.3958(17) .
C00E C00N 1.3877(19) .
C00F C00R 1.3947(19) .
C00F C00T 1.4010(19) .
C00G C00M 1.4010(18) .
C00H H00H 0.9500 .
C00H C00S 1.386(2) .
C00I C00U 1.3586(17) .
C00J H00J 0.9500 .
C00J C00L 1.386(2) .
C00K H00K 0.9500 .
C00K C00P 1.384(2) .
C00K C00S 1.386(2) .
C00L H00L 0.9500 .
C00L C00O 1.383(2) .
C00M H00M 0.9500 .
C00M C00Q 1.3840(19) .
C00N H00N 0.9500 .
C00N C00V 1.388(2) .
C00O H00O 0.9500 .
C00P H00P 0.9500 .
C00Q H00Q 0.9500 .
C00Q C00V 1.388(2) .
C00R H00R 0.9500 .
C00R C00Z 1.3958(19) .
C00S H00S 0.9500 .
C00T H00T 0.9500 .
C00T C00Y 1.3895(19) .
C00V H00V 0.9500 .
C00X H00X 0.9500 .
C00X C00Y 1.392(2) .
C00X C00Z 1.384(2) .
C00Y H00Y 0.9500 .
C00Z H00Z 0.9500 .
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
V001 S005 C00U S004 171.79(7)
V001 S005 C00U C00I -10.74(12)
V001 S006 C00I S002 -172.31(7)
V001 S006 C00I C00U 11.69(13)
S002 C00I C00U S004 0.76(14)
S002 C00I C00U S005 -176.84(7)
P003 C009 C00A C00O -179.03(10)
P003 C009 C00D C00J 179.22(10)
P003 C00B C00C C00P 179.14(10)
P003 C00B C00H C00S 179.72(10)
P003 C00F C00R C00Z 177.02(11)
P003 C00F C00T C00Y -176.99(12)
P003 C00G C00M C00Q 179.06(10)
S006 C00I C00U S004 176.91(7)
S006 C00I C00U S005 -0.69(18)
C009 P003 C00B C00C -9.82(13)
C009 P003 C00B C00H 168.35(10)
C009 P003 C00F C00R 140.31(11)
C009 P003 C00F C00T -41.36(13)
C009 P003 C00G C00E 109.77(11)
C009 P003 C00G C00M -70.39(12)
C009 C00A C00O C00L -0.2(2)
C009 C00D C00J C00L -0.1(2)
C00A C009 C00D C00J -0.44(19)
C00B P003 C009 C00A -105.78(11)
C00B P003 C009 C00D 74.56(11)
C00B P003 C00F C00R 19.00(13)
C00B P003 C00F C00T -162.68(11)
C00B P003 C00G C00E -129.89(11)
C00B P003 C00G C00M 49.95(12)
C00B C00C C00P C00K 0.9(2)
C00B C00H C00S C00K 1.3(2)
C00C C00B C00H C00S -2.09(19)
C00D C009 C00A C00O 0.63(19)
C00D C00J C00L C00O 0.5(2)
C00E C00G C00M C00Q -1.1(2)
C00E C00N C00V C00Q -0.2(2)
C00F P003 C009 C00A 132.37(11)
C00F P003 C009 C00D -47.28(12)
C00F P003 C00B C00C 109.41(11)
C00F P003 C00B C00H -72.42(11)
C00F P003 C00G C00E -8.74(13)
C00F P003 C00G C00M 171.11(10)
C00F C00R C00Z C00X -0.2(2)
C00F C00T C00Y C00X 0.0(2)
C00G P003 C009 C00A 11.93(13)
C00G P003 C009 C00D -167.72(10)
C00G P003 C00B C00C -130.19(11)
C00G P003 C00B C00H 47.98(11)
C00G P003 C00F C00R -99.02(12)
C00G P003 C00F C00T 79.31(12)
C00G C00E C00N C00V -0.3(2)
C00G C00M C00Q C00V 0.6(2)
C00H C00B C00C C00P 1.01(19)
C00I S002 C00W S004 0.28(9)
C00I S002 C00W S007 -179.20(9)
C00J C00L C00O C00A -0.3(2)
C00M C00Q C00V C00N 0.1(2)
C00N C00E C00G P003 -179.20(10)
C00N C00E C00G C00M 1.0(2)
C00P C00K C00S C00H 0.5(2)
C00R C00F C00T C00Y 1.4(2)
C00S C00K C00P C00C -1.6(2)
C00T C00F C00R C00Z -1.3(2)
C00U S004 C00W S002 0.05(9)
C00U S004 C00W S007 179.52(9)
C00W S002 C00I S006 -176.96(8)
C00W S002 C00I C00U -0.63(12)
C00W S004 C00U S005 177.18(8)
C00W S004 C00U C00I -0.49(12)
C00Y C00X C00Z C00R 1.6(2)
C00Z C00X C00Y C00T -1.5(2)
