#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:24:01 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178507 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/90/4069060.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_4069060
loop_
_publ_author_name
'Ionkin, Alex S.'
'Marshall, William J.'
'Fish, Brian M.'
'Schiffhauer, Matthew F.'
'Davidson, Fredric'
'McEwen, Charles N.'
_publ_section_title
;
 Highly Unsaturated Phosphorus Compounds: Generation and Reactions on Both
 Multiple Bonds of Vinyl Phosphaalkyne†
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2410
_journal_paper_doi               10.1021/om801224d
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C22 H38 O P2'
_chemical_formula_weight         380.46
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.373(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.6418(19)
_cell_length_b                   11.629(3)
_cell_length_c                   12.587(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1200.5(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17801
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.44
_exptl_absorpt_coefficient_mu    0.188
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.053
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ireg.blok
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         2981
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.239
_refine_ls_R_factor_all          0.1129
_refine_ls_R_factor_gt           0.0866
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1081P)²+0.7386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2289
_refine_ls_wR_factor_ref         0.2540
_reflns_number_gt                2150
_reflns_number_total             2981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801224d_si_001.cif
_cod_data_source_block           06207
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4069060
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
P1 P 0.0793(3) 0.43720(18) 0.01281(15) 0.0802(7) Uani 0.50 1 d P .
C1 C 0.0179(7) 0.5304(4) -0.0912(3) 0.0957(14) Uani 1 1 d D .
P2 P -0.1466(10) 0.6270(6) -0.0467(6) 0.0551(19) Uani 0.206(8) 1 d PD .
O1 O -0.133(2) 0.5595(14) 0.0736(11) 0.060(3) Uani 0.206(8) 1 d PD .
P2' P -0.1710(6) 0.5914(4) 0.0342(5) 0.0673(17) Uani 0.291(8) 1 d PD 3
O1' O -0.1265(15) 0.6095(12) -0.0778(10) 0.053(2) Uani 0.291(8) 1 d PD 3
C3 C -0.0447(9) 0.5289(7) -0.2237(8) 0.039(3) Uani 0.326(12) 1 d P 1
C4 C 0.0600(13) 0.5931(9) -0.2529(12) 0.060(3) Uani 0.326(12) 1 d P 1
H4A H 0.0436 0.5958 -0.3295 0.072 Uiso 0.326(12) 1 calc PR 1
C3' C 0.0560(5) 0.5784(4) -0.1923(5) 0.0499(14) Uani 0.674(12) 1 d P 2
C4' C -0.0436(6) 0.5492(4) -0.2913(5) 0.0604(16) Uani 0.674(12) 1 d P 2
H4'A H -0.0197 0.5824 -0.3515 0.073 Uiso 0.674(12) 1 calc PR 2
C5 C -0.1908(3) 0.4707(2) -0.3233(2) 0.0543(7) Uani 1 1 d . .
C6 C -0.3441(4) 0.5427(4) -0.3397(3) 0.0814(11) Uani 1 1 d . .
H6A H -0.4376 0.5002 -0.3836 0.122 Uiso 1 1 calc R .
H6B H -0.3355 0.6128 -0.3777 0.122 Uiso 1 1 calc R .
H6C H -0.3555 0.5605 -0.2681 0.122 Uiso 1 1 calc R .
C7 C -0.1971(5) 0.3637(4) -0.2567(3) 0.0814(11) Uani 1 1 d . .
H7A H -0.2821 0.3139 -0.3004 0.122 Uiso 1 1 calc R .
H7B H -0.2189 0.3848 -0.1890 0.122 Uiso 1 1 calc R .
H7C H -0.0944 0.3244 -0.2383 0.122 Uiso 1 1 calc R .
C8 C -0.1907(6) 0.4305(4) -0.4401(3) 0.0941(13) Uani 1 1 d . .
H8A H -0.2864 0.3851 -0.4742 0.141 Uiso 1 1 calc R .
H8B H -0.0952 0.3850 -0.4327 0.141 Uiso 1 1 calc R .
H8C H -0.1906 0.4963 -0.4860 0.141 Uiso 1 1 calc R .
C9 C 0.2034(4) 0.6637(3) -0.1827(3) 0.0735(10) Uani 1 1 d D .
C10 C 0.1784(12) 0.7533(10) -0.2815(7) 0.153(4) Uani 0.776(8) 1 d PD 1
H10A H 0.2602 0.8121 -0.2592 0.229 Uiso 0.776(8) 1 calc PR 1
H10B H 0.0723 0.7875 -0.2987 0.229 Uiso 0.776(8) 1 calc PR 1
H10C H 0.1876 0.7145 -0.3466 0.229 Uiso 0.776(8) 1 calc PR 1
C11 C 0.3521(7) 0.6031(6) -0.1731(12) 0.150(4) Uani 0.776(8) 1 d PD 1
H11A H 0.4402 0.6571 -0.1598 0.225 Uiso 0.776(8) 1 calc PR 1
H11B H 0.3409 0.5619 -0.2412 0.225 Uiso 0.776(8) 1 calc PR 1
H11C H 0.3746 0.5499 -0.1118 0.225 Uiso 0.776(8) 1 calc PR 1
C12 C 0.2119(8) 0.7364(7) -0.0847(6) 0.099(2) Uani 0.776(8) 1 d PD 1
H12A H 0.2937 0.7945 -0.0765 0.148 Uiso 0.776(8) 1 calc PR 1
H12B H 0.2395 0.6895 -0.0186 0.148 Uiso 0.776(8) 1 calc PR 1
H12C H 0.1080 0.7722 -0.0954 0.148 Uiso 0.776(8) 1 calc PR 1
C10' C 0.333(3) 0.598(3) -0.090(2) 0.153(4) Uani 0.224(8) 1 d PD 2
H10D H 0.4323 0.6410 -0.0676 0.229 Uiso 0.224(8) 1 calc PR 2
H10E H 0.3517 0.5242 -0.1184 0.229 Uiso 0.224(8) 1 calc PR 2
H10F H 0.2943 0.5871 -0.0272 0.229 Uiso 0.224(8) 1 calc PR 2
C11' C 0.174(3) 0.777(2) -0.143(4) 0.150(4) Uani 0.224(8) 1 d PD 2
H11D H 0.0766 0.8088 -0.1941 0.225 Uiso 0.224(8) 1 calc PR 2
H11E H 0.2649 0.8260 -0.1387 0.225 Uiso 0.224(8) 1 calc PR 2
H11F H 0.1616 0.7694 -0.0703 0.225 Uiso 0.224(8) 1 calc PR 2
C12' C 0.260(3) 0.663(2) -0.2793(17) 0.099(2) Uani 0.224(8) 1 d PD 2
H12D H 0.1812 0.7007 -0.3406 0.148 Uiso 0.224(8) 1 calc PR 2
H12E H 0.2729 0.5847 -0.2997 0.148 Uiso 0.224(8) 1 calc PR 2
H12F H 0.3623 0.7021 -0.2617 0.148 Uiso 0.224(8) 1 calc PR 2
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'
P P 0.1023 0.0942 '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
O1' P1 P2 31.3(6) 3_565 3_565
O1' P1 P2' 95.5(7) 3_565 3_565
P2 P1 P2' 66.0(4) 3_565 3_565
O1' P1 O1 123.9(8) 3_565 3_565
P2 P1 O1 93.9(7) 3_565 3_565
P2' P1 O1 28.4(6) 3_565 3_565
O1' P1 C1 76.2(9) 3_565 3_565
P2 P1 C1 106.5(5) 3_565 3_565
P2' P1 C1 170.8(4) 3_565 3_565
O1 P1 C1 159.6(9) 3_565 3_565
O1' P1 C1 172.2(9) 3_565 .
P2 P1 C1 149.4(5) 3_565 .
P2' P1 C1 83.4(4) 3_565 .
O1 P1 C1 55.4(9) 3_565 .
C1 P1 C1 104.17(19) 3_565 .
O1' P1 P1 130.5(9) 3_565 3_565
P2 P1 P1 161.4(5) 3_565 3_565
P2' P1 P1 132.5(4) 3_565 3_565
O1 P1 P1 104.7(9) 3_565 3_565
C1 P1 P1 54.91(16) 3_565 3_565
C1 P1 P1 49.27(19) . 3_565
O1 C1 C3' 94.3(6) 3_565 .
O1 C1 P1 125.7(5) 3_565 3_565
C3' C1 P1 139.3(3) . 3_565
O1 C1 C3 98.5(6) 3_565 .
C3' C1 C3 38.1(3) . .
P1 C1 C3 127.4(4) 3_565 .
O1 C1 O1' 160.5(6) 3_565 .
C3' C1 O1' 105.1(4) . .
P1 C1 O1' 35.6(4) 3_565 .
C3 C1 O1' 95.7(5) . .
O1 C1 P1 49.9(5) 3_565 .
C3' C1 P1 143.6(4) . .
P1 C1 P1 75.83(19) 3_565 .
C3 C1 P1 138.2(4) . .
O1' C1 P1 111.1(4) . .
O1 C1 P2' 12.8(4) 3_565 3_565
C3' C1 P2' 106.2(3) . 3_565
P1 C1 P2' 113.2(3) 3_565 3_565
C3 C1 P2' 110.7(4) . 3_565
O1' C1 P2' 148.6(4) . 3_565
P1 C1 P2' 37.58(18) . 3_565
O1 C1 P2 152.7(5) 3_565 .
C3' C1 P2 112.6(3) . .
P1 C1 P2 27.0(2) 3_565 .
C3 C1 P2 105.1(4) . .
O1' C1 P2 9.5(5) . .
P1 C1 P2 102.9(3) . .
P2' C1 P2 140.2(3) 3_565 .
O1' P2 P1 74.3(17) . 3_565
O1' P2 P2' 135(2) . .
P1 P2 P2' 65.9(5) 3_565 .
O1' P2 O1 123.6(19) . .
P1 P2 O1 51.2(6) 3_565 .
P2' P2 O1 15.4(6) . .
O1' P2 C1 30.7(18) . .
P1 P2 C1 46.5(3) 3_565 .
P2' P2 C1 112.1(5) . .
O1 P2 C1 97.7(7) . .
P2' O1 P1 63.8(10) . 3_565
P2' O1 C1 137.3(16) . 3_565
P1 O1 C1 74.7(8) 3_565 3_565
P2' O1 P2 30.0(10) . .
P1 O1 P2 34.8(3) 3_565 .
C1 O1 P2 109.5(8) 3_565 .
O1 P2' P1 87.8(13) . 3_565
O1 P2' P2 134.6(15) . .
P1 P2' P2 48.1(3) 3_565 .
O1 P2' O1' 124.7(14) . .
P1 P2' O1' 36.9(4) 3_565 .
P2 P2' O1' 13.3(6) . .
O1 P2' C1 30.0(13) . 3_565
P1 P2' C1 59.0(3) 3_565 3_565
P2 P2' C1 107.0(4) . 3_565
O1' P2' C1 95.7(5) . 3_565
P2 O1' P1 74.4(17) . 3_565
P2 O1' P2' 31.5(16) . .
P1 O1' P2' 47.5(5) 3_565 .
P2 O1' C1 140(2) . .
P1 O1' C1 68.2(8) 3_565 .
P2' O1' C1 115.6(7) . .
C4 C3 C1 104.6(9) . .
C4 C3 C5 117.3(11) . .
C1 C3 C5 138.1(6) . .
C3 C4 C9 130.9(13) . .
C4' C3' C1 116.7(5) . .
C4' C3' C9 120.1(6) . .
C1 C3' C9 123.2(4) . .
C3' C4' C5 130.6(6) . .
C7 C5 C4' 121.6(3) . .
C7 C5 C6 110.2(3) . .
C4' C5 C6 109.0(3) . .
C7 C5 C8 106.9(3) . .
C4' C5 C8 100.6(3) . .
C6 C5 C8 107.4(3) . .
C7 C5 C3 94.0(4) . .
C4' C5 C3 32.6(3) . .
C6 C5 C3 107.8(3) . .
C8 C5 C3 129.0(4) . .
C11 C9 C12' 62.5(11) . .
C11 C9 C11' 131.4(11) . .
C12' C9 C11' 116(2) . .
C11 C9 C12 113.7(5) . .
C12' C9 C12 140.0(9) . .
C11' C9 C12 33(2) . .
C11 C9 C4 109.2(5) . .
C12' C9 C4 86.3(10) . .
C11' C9 C4 119.4(13) . .
C12 C9 C4 127.8(6) . .
C11 C9 C10' 43.6(12) . .
C12' C9 C10' 106.0(17) . .
C11' C9 C10' 111(2) . .
C12 C9 C10' 79.6(15) . .
C4 C9 C10' 115.8(13) . .
C11 C9 C10 106.6(6) . .
C12' C9 C10 49.0(11) . .
C11' C9 C10 71(2) . .
C12 C9 C10 103.8(5) . .
C4 C9 C10 90.9(7) . .
C10' C9 C10 143.9(11) . .
C11 C9 C3' 112.0(4) . .
C12' C9 C3' 113.9(8) . .
C11' C9 C3' 111.6(10) . .
C12 C9 C3' 104.4(4) . .
C4 C9 C3' 29.5(4) . .
C10' C9 C3' 96.8(11) . .
C10 C9 C3' 116.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O1' 0.959(10) 3_565
P1 P2 0.960(7) 3_565
P1 P2' 1.177(4) 3_565
P1 O1 1.310(11) 3_565
P1 C1 1.531(5) 3_565
P1 C1 1.653(4) .
P1 P1 1.959(3) 3_565
C1 O1 1.411(19) 3_565
C1 C3' 1.518(8) .
C1 P1 1.531(5) 3_565
C1 C3 1.582(10) .
C1 O1' 1.601(14) .
C1 P2' 1.917(6) 3_565
C1 P2 2.024(8) .
P2 O1' 0.517(10) .
P2 P1 0.960(7) 3_565
P2 P2' 1.178(8) .
P2 O1 1.677(13) .
O1 P2' 0.624(13) .
O1 P1 1.310(11) 3_565
O1 C1 1.411(19) 3_565
P2' P1 1.177(4) 3_565
P2' O1' 1.588(10) .
P2' C1 1.917(6) 3_565
O1' P1 0.959(10) 3_565
C3 C4 1.312(17) .
C3 C5 1.621(8) .
C4 C9 1.516(11) .
C3' C4' 1.316(9) .
C3' C9 1.589(6) .
C4' C5 1.514(5) .
C5 C7 1.511(5) .
C5 C6 1.525(4) .
C5 C8 1.543(5) .
C9 C11 1.437(6) .
C9 C12' 1.444(14) .
C9 C11' 1.454(16) .
C9 C12 1.478(6) .
C9 C10' 1.539(18) .
C9 C10 1.584(8) .
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_4
O1' P1 C1 O1 88(6) 3_565 3_565
P2 P1 C1 O1 -0.3(14) 3_565 3_565
P2' P1 C1 O1 5.0(9) 3_565 3_565
C1 P1 C1 O1 179.7(8) 3_565 3_565
P1 P1 C1 O1 179.7(8) 3_565 3_565
O1' P1 C1 C3' 75(6) 3_565 .
P2 P1 C1 C3' -12.9(14) 3_565 .
P2' P1 C1 C3' -7.5(7) 3_565 .
O1 P1 C1 C3' -12.6(9) 3_565 .
C1 P1 C1 C3' 167.2(7) 3_565 .
P1 P1 C1 C3' 167.2(7) 3_565 .
O1' P1 C1 P1 -92(6) 3_565 3_565
P2 P1 C1 P1 180.0(11) 3_565 3_565
P2' P1 C1 P1 -174.7(4) 3_565 3_565
O1 P1 C1 P1 -179.7(8) 3_565 3_565
C1 P1 C1 P1 0.0 3_565 3_565
O1' P1 C1 C3 137(6) 3_565 .
P2 P1 C1 C3 48.9(14) 3_565 .
P2' P1 C1 C3 54.2(7) 3_565 .
O1 P1 C1 C3 49.2(10) 3_565 .
C1 P1 C1 C3 -131.1(8) 3_565 .
P1 P1 C1 C3 -131.1(8) 3_565 .
O1' P1 C1 O1' -97(6) 3_565 .
P2 P1 C1 O1' 175.0(15) 3_565 .
P2' P1 C1 O1' -179.7(6) 3_565 .
O1 P1 C1 O1' 175.3(10) 3_565 .
C1 P1 C1 O1' -5.0(6) 3_565 .
P1 P1 C1 O1' -5.0(6) 3_565 .
O1' P1 C1 P2' 83(6) 3_565 3_565
P2 P1 C1 P2' -5.3(11) 3_565 3_565
O1 P1 C1 P2' -5.0(9) 3_565 3_565
C1 P1 C1 P2' 174.7(4) 3_565 3_565
P1 P1 C1 P2' 174.7(4) 3_565 3_565
O1' P1 C1 P2 -92(6) 3_565 .
P2 P1 C1 P2 180.0(9) 3_565 .
P2' P1 C1 P2 -174.7(4) 3_565 .
O1 P1 C1 P2 -179.7(9) 3_565 .
C1 P1 C1 P2 0.0(3) 3_565 .
P1 P1 C1 P2 0.0(3) 3_565 .
O1 C1 P2 O1' -151(4) 3_565 .
C3' C1 P2 O1' 38(4) . .
P1 C1 P2 O1' -150(5) 3_565 .
C3 C1 P2 O1' -2(4) . .
P1 C1 P2 O1' -150(4) . .
P2' C1 P2 O1' -155(4) 3_565 .
O1 C1 P2 P1 -0.5(17) 3_565 3_565
C3' C1 P2 P1 -171.8(6) . 3_565
C3 C1 P2 P1 148.6(7) . 3_565
O1' C1 P2 P1 150(5) . 3_565
P1 C1 P2 P1 0.0(6) . 3_565
P2' C1 P2 P1 -5.1(9) 3_565 3_565
O1 C1 P2 P2' -6.1(17) 3_565 .
C3' C1 P2 P2' -177.5(6) . .
P1 C1 P2 P2' -5.7(4) 3_565 .
C3 C1 P2 P2' 142.9(7) . .
O1' C1 P2 P2' 145(5) . .
P1 C1 P2 P2' -5.7(7) . .
P2' C1 P2 P2' -10.8(11) 3_565 .
O1 C1 P2 O1 -1(2) 3_565 .
C3' C1 P2 O1 -172.0(6) . .
P1 C1 P2 O1 -0.2(6) 3_565 .
C3 C1 P2 O1 148.4(7) . .
O1' C1 P2 O1 150(4) . .
P1 C1 P2 O1 -0.2(7) . .
P2' C1 P2 O1 -5.2(9) 3_565 .
O1' P2 O1 P2' -143(4) . .
P1 P2 O1 P2' -161(3) 3_565 .
C1 P2 O1 P2' -160(2) . .
O1' P2 O1 P1 18(3) . 3_565
P2' P2 O1 P1 161(3) . 3_565
C1 P2 O1 P1 0.2(5) . 3_565
O1' P2 O1 C1 18(3) . 3_565
P1 P2 O1 C1 0.2(7) 3_565 3_565
P2' P2 O1 C1 161(3) . 3_565
C1 P2 O1 C1 0.3(10) . 3_565
C1 O1 P2' P1 -15(3) 3_565 3_565
P2 O1 P2' P1 12.3(17) . 3_565
P1 O1 P2' P2 -12.3(17) 3_565 .
C1 O1 P2' P2 -27(4) 3_565 .
P1 O1 P2' O1' -0.7(13) 3_565 .
C1 O1 P2' O1' -16(4) 3_565 .
P2 O1 P2' O1' 11.6(12) . .
P1 O1 P2' C1 15(3) 3_565 3_565
P2 O1 P2' C1 27(4) . 3_565
O1' P2 P2' O1 46(5) . .
P1 P2 P2' O1 17(2) 3_565 .
C1 P2 P2' O1 21(2) . .
O1' P2 P2' P1 29(3) . 3_565
O1 P2 P2' P1 -17(2) . 3_565
C1 P2 P2' P1 4.5(3) . 3_565
P1 P2 P2' O1' -29(3) 3_565 .
O1 P2 P2' O1' -46(5) . .
C1 P2 P2' O1' -25(3) . .
O1' P2 P2' C1 32(4) . 3_565
P1 P2 P2' C1 2.7(6) 3_565 3_565
O1 P2 P2' C1 -14(2) . 3_565
C1 P2 P2' C1 7.2(7) . 3_565
P2' P2 O1' P1 -28(3) . 3_565
O1 P2 O1' P1 -14(2) . 3_565
C1 P2 O1' P1 22(3) . 3_565
P1 P2 O1' P2' 28(3) 3_565 .
O1 P2 O1' P2' 13.2(13) . .
C1 P2 O1' P2' 49(6) . .
P1 P2 O1' C1 -22(3) 3_565 .
P2' P2 O1' C1 -49(6) . .
O1 P2 O1' C1 -36(5) . .
O1 P2' O1' P2 -142(4) . .
P1 P2' O1' P2 -143(4) 3_565 .
C1 P2' O1' P2 -149(4) 3_565 .
O1 P2' O1' P1 1(2) . 3_565
P2 P2' O1' P1 143(4) . 3_565
C1 P2' O1' P1 -6.7(8) 3_565 3_565
O1 P2' O1' C1 5(2) . .
P1 P2' O1' C1 4.3(4) 3_565 .
P2 P2' O1' C1 147(4) . .
C1 P2' O1' C1 -2.4(10) 3_565 .
O1 C1 O1' P2 42(6) 3_565 .
C3' C1 O1' P2 -144(4) . .
P1 C1 O1' P2 23(3) 3_565 .
C3 C1 O1' P2 178(4) . .
P1 C1 O1' P2 31(4) . .
P2' C1 O1' P2 31(5) 3_565 .
O1 C1 O1' P1 19(3) 3_565 3_565
C3' C1 O1' P1 -166.8(7) . 3_565
C3 C1 O1' P1 155.6(8) . 3_565
P1 C1 O1' P1 8.4(10) . 3_565
P2' C1 O1' P1 8.0(17) 3_565 3_565
P2 C1 O1' P1 -23(3) . 3_565
O1 C1 O1' P2' 16(3) 3_565 .
C3' C1 O1' P2' -170.2(7) . .
P1 C1 O1' P2' -3.4(3) 3_565 .
C3 C1 O1' P2' 152.1(8) . .
P1 C1 O1' P2' 4.9(11) . .
P2' C1 O1' P2' 4.6(18) 3_565 .
P2 C1 O1' P2' -26(3) . .
O1 C1 C3 C4 -84.9(9) 3_565 .
C3' C1 C3 C4 1.3(6) . .
P1 C1 C3 C4 126.2(7) 3_565 .
O1' C1 C3 C4 108.6(8) . .
P1 C1 C3 C4 -120.7(8) . .
P2' C1 C3 C4 -88.8(7) 3_565 .
P2 C1 C3 C4 108.9(7) . .
O1 C1 C3 C5 93.5(9) 3_565 .
C3' C1 C3 C5 179.7(10) . .
P1 C1 C3 C5 -55.4(9) 3_565 .
O1' C1 C3 C5 -73.0(9) . .
P1 C1 C3 C5 57.7(10) . .
P2' C1 C3 C5 89.6(7) 3_565 .
P2 C1 C3 C5 -72.7(8) . .
C1 C3 C4 C9 -4.6(13) . .
C5 C3 C4 C9 176.6(8) . .
O1 C1 C3' C4' 99.2(7) 3_565 .
P1 C1 C3' C4' -90.5(7) 3_565 .
C3 C1 C3' C4' 1.0(5) . .
O1' C1 C3' C4' -78.8(7) . .
P1 C1 C3' C4' 108.8(6) . .
P2' C1 C3' C4' 104.0(4) 3_565 .
P2 C1 C3' C4' -84.8(5) . .
O1 C1 C3' C9 -83.3(7) 3_565 .
P1 C1 C3' C9 87.1(7) 3_565 .
C3 C1 C3' C9 178.6(6) . .
O1' C1 C3' C9 98.8(7) . .
P1 C1 C3' C9 -73.6(7) . .
P2' C1 C3' C9 -78.4(4) 3_565 .
P2 C1 C3' C9 92.8(5) . .
C1 C3' C4' C5 -2.5(7) . .
C9 C3' C4' C5 179.9(4) . .
C3' C4' C5 C7 -35.4(7) . .
C3' C4' C5 C6 94.5(6) . .
C3' C4' C5 C8 -152.9(5) . .
C3' C4' C5 C3 0.8(5) . .
C4 C3 C5 C7 146.7(7) . .
C1 C3 C5 C7 -31.6(7) . .
C4 C3 C5 C4' -3.0(7) . .
C1 C3 C5 C4' 178.7(11) . .
C4 C3 C5 C6 -100.6(7) . .
C1 C3 C5 C6 81.2(7) . .
C4 C3 C5 C8 31.1(9) . .
C1 C3 C5 C8 -147.2(6) . .
C3 C4 C9 C11 102.9(12) . .
C3 C4 C9 C12' 162.1(17) . .
C3 C4 C9 C11' -80(3) . .
C3 C4 C9 C12 -40.9(15) . .
C3 C4 C9 C10' 56.1(19) . .
C3 C4 C9 C10 -149.1(12) . .
C3 C4 C9 C3' 2.0(6) . .
C4' C3' C9 C11 -94.8(7) . .
C1 C3' C9 C11 87.7(7) . .
C4' C3' C9 C12' -26.3(15) . .
C1 C3' C9 C12' 156.2(14) . .
C4' C3' C9 C11' 107(2) . .
C1 C3' C9 C11' -70(2) . .
C4' C3' C9 C12 141.8(5) . .
C1 C3' C9 C12 -35.7(6) . .
C4' C3' C9 C4 -4.4(9) . .
C1 C3' C9 C4 178.1(11) . .
C4' C3' C9 C10' -137.2(16) . .
C1 C3' C9 C10' 45.3(16) . .
C4' C3' C9 C10 28.1(7) . .
C1 C3' C9 C10 -149.4(6) . .
