data_General
_audit_creation_date                  '2009-01-20'
_audit_creation_method                'by CrystalStructure 3.8'
_audit_update_record                   ?

#==============================================================================

# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic     ?
_journal_date_from_coeditor       ?
_journal_date_accepted            ?
_journal_coeditor_code            ?

#==============================================================================

# SUBMISSION DETAILS

_publ_contact_author_name             'ENTER NAME'
_publ_contact_author_email            'ENTER EMAIL ADDRESS'
_publ_contact_author_fax              'ENTER FAX NUMBER'
_publ_contact_author_phone            'ENTER PHONE NUMBER'
_publ_contact_letter
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal               'ENTER JOURNAL NAME HERE'
_publ_requested_category              'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name          ?

#==============================================================================

# TITLE AND AUTHOR LIST

_publ_section_title
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis
;
  ENTER SYNOPSIS
;

#==============================================================================

# TEXT

_publ_section_abstract
;
    ENTER ABSTRACT
;
_publ_section_comment
;
    ENTER TEXT
;
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku/MSC and Rigaku Corporation. (2006).
    CrystalStructure (Version 3.8). 
    Single Crystal Structure Analysis Software.
    Rigaku/MSC, 9009 TX, USA 77381-5209.
    Rigaku, Tokyo 196-8666, Japan.

    Carruthers, J.R., Rollett,J.S., Betteridge, P.W.,
	 Kinna, D., Pearce, L., Larsen, A., and Gabe, E.(1999)
    CRYSTALS Issue 11, Chemical Crystallography Laboratory, Oxford, UK.

    Larson, A. C. (1970), Crystallographic Computing, 291-294.
    ed F. R. Ahmed, Munksgaard, Copenhagen.

    Carruthers, J.R. and Watkin, D.J. (1979), Acta Cryst, A35, 698-699
;
_publ_section_figure_captions
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================

data__User-defined

#==============================================================================

# CHEMICAL DATA

_chemical_formula_sum                  'Ca5 Cl0.95 F0.05 O12 P3 '
_chemical_formula_moiety               'Ca5 Cl0.95 F0.05 O12 P3 '
_chemical_formula_weight               519.94
_chemical_melting_point                ?

#==============================================================================

# CRYSTAL DATA
_symmetry_cell_setting                 hexgonal
_symmetry_space_group_name_H-M        'P 63/m'
_symmetry_space_group_name_Hall       '-P 6c'
_symmetry_Int_Tables_number            176
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1   '+X,+Y,+Z'
2   '+X-Y,+X,1/2+Z'
3   '-Y,+X-Y,+Z'
4   '-X,-Y,1/2+Z'
5   '-X+Y,-X,+Z'
6   '+Y,-X+Y,1/2+Z'
7   '-X,-Y,-Z'
8   '-X+Y,-X,1/2-Z'
9   '+Y,-X+Y,-Z'
10  '+X,+Y,1/2-Z'
11  '+X-Y,+X,-Z'
12  '-Y,+X-Y,1/2-Z'

#------------------------------------------------------------------------------

_cell_length_a                         9.63229(17)
_cell_length_b                         9.63229(17)
_cell_length_c                         6.77707(12)
_cell_angle_alpha                      90.0000
_cell_angle_beta                       90.0000
_cell_angle_gamma                      120.0000
_cell_volume                           544.542(17)
_cell_formula_units_Z                  2
_cell_measurement_reflns_used          4049
_cell_measurement_theta_min            6.5
_cell_measurement_theta_max            71.2
_cell_measurement_temperature          293.1

#------------------------------------------------------------------------------

_exptl_crystal_description            'Prism'
_exptl_crystal_colour                 'Colorless'
_exptl_crystal_size_max                0.20
_exptl_crystal_size_mid                0.20
_exptl_crystal_size_min                0.20
_exptl_crystal_density_diffrn          3.171
_exptl_crystal_density_meas            ?
_exptl_crystal_density_method         'not measured'
_exptl_crystal_F_000                   515.20
_exptl_absorpt_coefficient_mu          28.587
_exptl_absorpt_correction_type         numerical
_exptl_absorpt_process_details         
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min        0.002
_exptl_absorpt_correction_T_max        0.003

#==============================================================================

# EXPERIMENTAL DATA

_diffrn_radiation_type                'Cu K\a'
_diffrn_radiation_wavelength           1.54187
_diffrn_measurement_device_type       'Rigaku RAXIS-RAPID'
_diffrn_measurement_method             \w
_diffrn_detector_area_resol_mean       10.00
_diffrn_reflns_number                  12657
_diffrn_reflns_av_R_equivalents        0.031
_diffrn_reflns_theta_max               71.46
_diffrn_measured_fraction_theta_max    0.995
_diffrn_reflns_theta_full              71.46
_diffrn_measured_fraction_theta_full   0.995
_diffrn_reflns_limit_h_min             -11
_diffrn_reflns_limit_h_max             11
_diffrn_reflns_limit_k_min             -11
_diffrn_reflns_limit_k_max             11
_diffrn_reflns_limit_l_min             -8
_diffrn_reflns_limit_l_max             8

#==============================================================================

# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using reflections with F^2^ > 2.0 sigma(F^2^).
    The weighted R-factor(wR), goodness of fit (S) and R-factor (gt) are 
    based on F, with F set to zero for negative F. The threshold expression of
    F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt).
;
_reflns_number_total                   392
_reflns_number_gt                      11847
_reflns_threshold_expression           F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef       F
_refine_ls_R_factor_gt                 0.0372
_refine_ls_wR_factor_ref               0.0468
_refine_ls_hydrogen_treatment          ?
_refine_ls_number_reflns               11869
_refine_ls_number_parameters           30
_refine_ls_goodness_of_fit_ref         1.001
_refine_ls_weighting_scheme            calc
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    10.6223    -1.3080    6.8006
;
_refine_ls_shift/su_max                0.0000
_refine_diff_density_max               37.50
_refine_diff_density_min               -38.90
_refine_ls_extinction_method           
   'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_extinction_coef             20.0(2)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
  'Ca' 'Ca'  0.364 1.286 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'P' 'P'  0.295 0.434 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'O' 'O'  0.049 0.032 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'F' 'F'  0.073 0.053 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'Cl' 'Cl'  0.364 0.702 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================

# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_assembly
_atom_site_disorder_group
 Ca(1) Ca 0.3333 0.6667 0.00315(4) 0.0026 Uiso 1.00 3 d S . .
 Ca(3) Ca 0.25970(12) 0.00237(17) 0.2500 0.00246(6) Uiso 0.93 2 d SP . .
 Ca(2) Ca 0.2501(14) 0.017(2) 0.2500 0.00247(6) Uiso 0.07 2 d SP . .
 Cl(1) Cl 0.0000 0.0000 0.44138(11) 0.0159(2) Uani 0.46 3 d SP . .
 P(1) P 0.40694(3) 0.37447(3) 0.2500 -0.00033(5) Uani 1.00 2 d S . .
 F(1) F 0.0000 0.0000 0.2500 0.014(3) Uani 0.08 6 d SP . .
 O(1) O 0.35324(6) 0.26651(6) 0.06742(8) 0.01015(11) Uiso 1.00 1 d . . .
 O(2) O 0.59206(7) 0.46548(7) 0.2500 0.00542(14) Uiso 1.00 2 d S . .
 O(3) O 0.34242(7) 0.49141(7) 0.2500 0.00372(14) Uiso 1.00 2 d S . .


loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
 Cl(1) 0.00507(19) 0.00507(19) 0.0376(10) 0.00251(9) 0.0000 0.0000
 P(1) 0.00011(11) -0.00050(11) 0.00034(14) 0.00060(9) 0.0000 0.0000
 F(1) 0.028(5) 0.028(5) -0.015(9) 0.014(2) 0.0000 0.0000

#==============================================================================

_computing_data_collection            'PROCESS-AUTO'
_computing_cell_refinement            'PROCESS-AUTO'
_computing_data_reduction             'CrystalStructure'
_computing_structure_solution         'SIR92'
_computing_structure_refinement       'CRYSTALS'
_computing_publication_material       'CrystalStructure 3.8'
_computing_molecular_graphics          ?

#==============================================================================

# MOLECULAR GEOMETRY

_geom_special_details
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ca(1) Ca(1) 3.4312(3) yes . 8_564
Ca(1) Ca(1) 3.3458(3) yes . 8_565
Ca(1) P(1) 3.2172(2) yes . 2_554
Ca(1) P(1) 3.2173(3) yes . 4_664
Ca(1) P(1) 3.2172(2) yes . 6_564
Ca(1) O(1) 2.7954(5) yes . 7_665
Ca(1) O(1) 2.7953(6) yes . 9_565
Ca(1) O(1) 2.7954(4) yes . 11_555
Ca(1) O(2) 2.4484(4) yes . 2_554
Ca(1) O(2) 2.4484(6) yes . 4_664
Ca(1) O(2) 2.4484(4) yes . 6_564
Ca(1) O(3) 2.4091(5) yes . .
Ca(1) O(3) 2.4091(3) yes . 3_665
Ca(1) O(3) 2.4091(5) yes . 5_565
Ca(3) Ca(2) 0.20(2) yes . .
Ca(3) Cl(1) 2.8077(12) yes . .
Ca(3) Cl(1) 3.2520(11) yes . 2_554
Ca(3) Cl(1) 3.2520(11) yes . 7_556
Ca(3) Cl(1) 2.8077(12) yes . 8_555
Ca(3) P(1) 3.1264(15) yes . .
Ca(3) F(1) 2.4902(14) yes . .
Ca(3) O(1) 2.5542(14) yes . .
Ca(3) O(1) 2.3291(8) yes . 6_555
Ca(3) O(1) 2.3291(8) yes . 9_555
Ca(3) O(1) 2.5542(14) yes . 10_555
Ca(3) O(2) 2.2960(11) yes . 3_655
Ca(3) O(3) 2.9369(17) yes . 5_555
Ca(2) Cl(1) 2.670(14) yes . .
Ca(2) Cl(1) 3.134(12) yes . 2_554
Ca(2) Cl(1) 3.134(12) yes . 7_556
Ca(2) Cl(1) 2.670(14) yes . 8_555
Ca(2) P(1) 2.993(17) yes . .
Ca(2) F(1) 2.334(16) yes . .
Ca(2) O(1) 2.433(15) yes . .
Ca(2) O(1) 2.408(9) yes . 6_555
Ca(2) O(1) 2.408(9) yes . 9_555
Ca(2) O(1) 2.433(15) yes . 10_555
Ca(2) O(2) 2.392(12) yes . 3_655
Cl(1) Cl(1) 0.7945(10) yes . 7_556
Cl(1) F(1) 1.2970(7) yes . .
P(1) O(1) 1.5304(5) yes . .
P(1) O(1) 1.5304(5) yes . 10_555
P(1) O(2) 1.5443(6) yes . .
P(1) O(3) 1.5346(8) yes . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Ca(1) Ca(1) Ca(1) 180.0000 yes 8_564 . 8_565
Ca(1) Ca(1) P(1) 57.775(4) yes 8_564 . 2_554
Ca(1) Ca(1) P(1) 57.773(5) yes 8_564 . 4_664
Ca(1) Ca(1) P(1) 57.774(5) yes 8_564 . 6_564
Ca(1) Ca(1) O(1) 80.148(12) yes 8_564 . 7_665
Ca(1) Ca(1) O(1) 80.150(12) yes 8_564 . 9_565
Ca(1) Ca(1) O(1) 80.149(12) yes 8_564 . 11_555
Ca(1) Ca(1) O(2) 45.517(11) yes 8_564 . 2_554
Ca(1) Ca(1) O(2) 45.516(14) yes 8_564 . 4_664
Ca(1) Ca(1) O(2) 45.516(9) yes 8_564 . 6_564
Ca(1) Ca(1) O(3) 133.979(13) yes 8_564 . .
Ca(1) Ca(1) O(3) 133.980(9) yes 8_564 . 3_665
Ca(1) Ca(1) O(3) 133.983(13) yes 8_564 . 5_565
Ca(1) Ca(1) P(1) 122.227(4) yes 8_565 . 2_554
Ca(1) Ca(1) P(1) 122.224(5) yes 8_565 . 4_664
Ca(1) Ca(1) P(1) 122.227(5) yes 8_565 . 6_564
Ca(1) Ca(1) O(1) 99.849(12) yes 8_565 . 7_665
Ca(1) Ca(1) O(1) 99.852(12) yes 8_565 . 9_565
Ca(1) Ca(1) O(1) 99.852(12) yes 8_565 . 11_555
Ca(1) Ca(1) O(2) 134.486(11) yes 8_565 . 2_554
Ca(1) Ca(1) O(2) 134.481(14) yes 8_565 . 4_664
Ca(1) Ca(1) O(2) 134.484(9) yes 8_565 . 6_564
Ca(1) Ca(1) O(3) 46.019(13) yes 8_565 . .
Ca(1) Ca(1) O(3) 46.019(9) yes 8_565 . 3_665
Ca(1) Ca(1) O(3) 46.020(13) yes 8_565 . 5_565
P(1) Ca(1) P(1) 94.211(8) yes 2_554 . 4_664
P(1) Ca(1) P(1) 94.213(7) yes 2_554 . 6_564
P(1) Ca(1) O(1) 122.481(13) yes 2_554 . 7_665
P(1) Ca(1) O(1) 93.954(11) yes 2_554 . 9_565
P(1) Ca(1) O(1) 28.396(13) yes 2_554 . 11_555
P(1) Ca(1) O(2) 27.608(15) yes 2_554 . 2_554
P(1) Ca(1) O(2) 66.827(14) yes 2_554 . 4_664
P(1) Ca(1) O(2) 99.130(12) yes 2_554 . 6_564
P(1) Ca(1) O(3) 99.184(11) yes 2_554 . .
P(1) Ca(1) O(3) 165.988(15) yes 2_554 . 3_665
P(1) Ca(1) O(3) 88.916(10) yes 2_554 . 5_565
P(1) Ca(1) P(1) 94.212(8) yes 4_664 . 6_564
P(1) Ca(1) O(1) 28.396(11) yes 4_664 . 7_665
P(1) Ca(1) O(1) 122.483(13) yes 4_664 . 9_565
P(1) Ca(1) O(1) 93.952(14) yes 4_664 . 11_555
P(1) Ca(1) O(2) 99.129(16) yes 4_664 . 2_554
P(1) Ca(1) O(2) 27.608(12) yes 4_664 . 4_664
P(1) Ca(1) O(2) 66.826(19) yes 4_664 . 6_564
P(1) Ca(1) O(3) 88.913(16) yes 4_664 . .
P(1) Ca(1) O(3) 99.183(16) yes 4_664 . 3_665
P(1) Ca(1) O(3) 165.985(17) yes 4_664 . 5_565
P(1) Ca(1) O(1) 93.953(13) yes 6_564 . 7_665
P(1) Ca(1) O(1) 28.397(11) yes 6_564 . 9_565
P(1) Ca(1) O(1) 122.483(14) yes 6_564 . 11_555
P(1) Ca(1) O(2) 66.828(14) yes 6_564 . 2_554
P(1) Ca(1) O(2) 99.130(15) yes 6_564 . 4_664
P(1) Ca(1) O(2) 27.609(19) yes 6_564 . 6_564
P(1) Ca(1) O(3) 165.987(12) yes 6_564 . .
P(1) Ca(1) O(3) 88.916(14) yes 6_564 . 3_665
P(1) Ca(1) O(3) 99.186(16) yes 6_564 . 5_565
O(1) Ca(1) O(1) 117.136(15) yes 7_665 . 9_565
O(1) Ca(1) O(1) 117.134(18) yes 7_665 . 11_555
O(1) Ca(1) O(2) 125.030(19) yes 7_665 . 2_554
O(1) Ca(1) O(2) 55.659(16) yes 7_665 . 4_664
O(1) Ca(1) O(2) 68.31(2) yes 7_665 . 6_564
O(1) Ca(1) O(3) 82.339(19) yes 7_665 . .
O(1) Ca(1) O(3) 70.791(19) yes 7_665 . 3_665
O(1) Ca(1) O(3) 144.955(18) yes 7_665 . 5_565
O(1) Ca(1) O(1) 117.137(17) yes 9_565 . 11_555
O(1) Ca(1) O(2) 68.31(2) yes 9_565 . 2_554
O(1) Ca(1) O(2) 125.031(19) yes 9_565 . 4_664
O(1) Ca(1) O(2) 55.66(2) yes 9_565 . 6_564
O(1) Ca(1) O(3) 144.96(2) yes 9_565 . .
O(1) Ca(1) O(3) 82.34(2) yes 9_565 . 3_665
O(1) Ca(1) O(3) 70.793(19) yes 9_565 . 5_565
O(1) Ca(1) O(2) 55.660(18) yes 11_555 . 2_554
O(1) Ca(1) O(2) 68.311(17) yes 11_555 . 4_664
O(1) Ca(1) O(2) 125.031(16) yes 11_555 . 6_564
O(1) Ca(1) O(3) 70.791(16) yes 11_555 . .
O(1) Ca(1) O(3) 144.955(17) yes 11_555 . 3_665
O(1) Ca(1) O(3) 82.341(17) yes 11_555 . 5_565
O(2) Ca(1) O(2) 76.32(2) yes 2_554 . 4_664
O(2) Ca(1) O(2) 76.322(16) yes 2_554 . 6_564
O(2) Ca(1) O(3) 126.164(16) yes 2_554 . .
O(2) Ca(1) O(3) 150.49(2) yes 2_554 . 3_665
O(2) Ca(1) O(3) 89.964(16) yes 2_554 . 5_565
O(2) Ca(1) O(2) 76.32(2) yes 4_664 . 6_564
O(2) Ca(1) O(3) 89.961(18) yes 4_664 . .
O(2) Ca(1) O(3) 126.16(2) yes 4_664 . 3_665
O(2) Ca(1) O(3) 150.491(16) yes 4_664 . 5_565
O(2) Ca(1) O(3) 150.49(2) yes 6_564 . .
O(2) Ca(1) O(3) 89.963(12) yes 6_564 . 3_665
O(2) Ca(1) O(3) 126.17(2) yes 6_564 . 5_565
O(3) Ca(1) O(3) 77.096(18) yes . . 3_665
O(3) Ca(1) O(3) 77.10(2) yes . . 5_565
O(3) Ca(1) O(3) 77.097(18) yes 3_665 . 5_565
Ca(2) Ca(3) Cl(1) 45(2) yes . . .
Ca(2) Ca(3) Cl(1) 52.2(19) yes . . 2_554
Ca(2) Ca(3) Cl(1) 52.2(19) yes . . 7_556
Ca(2) Ca(3) Cl(1) 45(2) yes . . 8_555
Ca(2) Ca(3) P(1) 47(3) yes . . .
Ca(2) Ca(3) F(1) 37(3) yes . . .
Ca(2) Ca(3) O(1) 51(2) yes . . .
Ca(2) Ca(3) O(1) 111.1(4) yes . . 6_555
Ca(2) Ca(3) O(1) 111.1(4) yes . . 9_555
Ca(2) Ca(3) O(1) 51(2) yes . . 10_555
Ca(2) Ca(3) O(2) 117(3) yes . . 3_655
Ca(2) Ca(3) O(3) 138(3) yes . . 5_555
Cl(1) Ca(3) Cl(1) 67.54(3) yes . . 2_554
Cl(1) Ca(3) Cl(1) 12.515(17) yes . . 7_556
Cl(1) Ca(3) Cl(1) 55.03(3) yes . . 8_555
Cl(1) Ca(3) P(1) 84.32(4) yes . . .
Cl(1) Ca(3) F(1) 27.513(18) yes . . .
Cl(1) Ca(3) O(1) 95.80(5) yes . . .
Cl(1) Ca(3) O(1) 76.08(2) yes . . 6_555
Cl(1) Ca(3) O(1) 127.79(4) yes . . 9_555
Cl(1) Ca(3) O(1) 69.72(3) yes . . 10_555
Cl(1) Ca(3) O(2) 142.62(4) yes . . 3_655
Cl(1) Ca(3) O(3) 99.93(3) yes . . 5_555
Cl(1) Ca(3) Cl(1) 80.06(3) yes 2_554 . 7_556
Cl(1) Ca(3) Cl(1) 12.515(17) yes 2_554 . 8_555
Cl(1) Ca(3) P(1) 85.09(3) yes 2_554 . .
Cl(1) Ca(3) F(1) 40.028(18) yes 2_554 . .
Cl(1) Ca(3) O(1) 65.32(3) yes 2_554 . .
Cl(1) Ca(3) O(1) 139.00(4) yes 2_554 . 6_555
Cl(1) Ca(3) O(1) 64.32(2) yes 2_554 . 9_555
Cl(1) Ca(3) O(1) 101.86(5) yes 2_554 . 10_555
Cl(1) Ca(3) O(2) 133.32(2) yes 2_554 . 3_655
Cl(1) Ca(3) O(3) 98.57(2) yes 2_554 . 5_555
Cl(1) Ca(3) Cl(1) 67.54(3) yes 7_556 . 8_555
Cl(1) Ca(3) P(1) 85.09(3) yes 7_556 . .
Cl(1) Ca(3) F(1) 40.028(18) yes 7_556 . .
Cl(1) Ca(3) O(1) 101.86(5) yes 7_556 . .
Cl(1) Ca(3) O(1) 64.32(2) yes 7_556 . 6_555
Cl(1) Ca(3) O(1) 139.00(4) yes 7_556 . 9_555
Cl(1) Ca(3) O(1) 65.32(3) yes 7_556 . 10_555
Cl(1) Ca(3) O(2) 133.32(2) yes 7_556 . 3_655
Cl(1) Ca(3) O(3) 98.57(2) yes 7_556 . 5_555
Cl(1) Ca(3) P(1) 84.32(4) yes 8_555 . .
Cl(1) Ca(3) F(1) 27.513(18) yes 8_555 . .
Cl(1) Ca(3) O(1) 69.72(3) yes 8_555 . .
Cl(1) Ca(3) O(1) 127.79(4) yes 8_555 . 6_555
Cl(1) Ca(3) O(1) 76.08(2) yes 8_555 . 9_555
Cl(1) Ca(3) O(1) 95.80(5) yes 8_555 . 10_555
Cl(1) Ca(3) O(2) 142.62(4) yes 8_555 . 3_655
Cl(1) Ca(3) O(3) 99.93(3) yes 8_555 . 5_555
P(1) Ca(3) F(1) 83.59(4) yes . . .
P(1) Ca(3) O(1) 29.09(2) yes . . .
P(1) Ca(3) O(1) 110.01(3) yes . . 6_555
P(1) Ca(3) O(1) 110.01(3) yes . . 9_555
P(1) Ca(3) O(1) 29.09(2) yes . . 10_555
P(1) Ca(3) O(2) 70.04(3) yes . . 3_655
P(1) Ca(3) O(3) 175.20(5) yes . . 5_555
F(1) Ca(3) O(1) 82.04(5) yes . . .
F(1) Ca(3) O(1) 102.11(3) yes . . 6_555
F(1) Ca(3) O(1) 102.11(3) yes . . 9_555
F(1) Ca(3) O(1) 82.04(5) yes . . 10_555
F(1) Ca(3) O(2) 153.63(7) yes . . 3_655
F(1) Ca(3) O(3) 101.22(3) yes . . 5_555
O(1) Ca(3) O(1) 138.90(4) yes . . 6_555
O(1) Ca(3) O(1) 81.88(2) yes . . 9_555
O(1) Ca(3) O(1) 57.95(3) yes . . 10_555
O(1) Ca(3) O(2) 74.95(3) yes . . 3_655
O(1) Ca(3) O(3) 150.95(2) yes . . 5_555
O(1) Ca(3) O(1) 134.92(8) yes 6_555 . 9_555
O(1) Ca(3) O(1) 81.88(2) yes 6_555 . 10_555
O(1) Ca(3) O(2) 87.39(3) yes 6_555 . 3_655
O(1) Ca(3) O(3) 69.18(3) yes 6_555 . 5_555
O(1) Ca(3) O(1) 138.90(4) yes 9_555 . 10_555
O(1) Ca(3) O(2) 87.39(3) yes 9_555 . 3_655
O(1) Ca(3) O(3) 69.18(3) yes 9_555 . 5_555
O(1) Ca(3) O(2) 74.95(3) yes 10_555 . 3_655
O(1) Ca(3) O(3) 150.95(2) yes 10_555 . 5_555
O(2) Ca(3) O(3) 105.15(6) yes 3_655 . 5_555
Ca(3) Ca(2) Cl(1) 132(2) yes . . .
Ca(3) Ca(2) Cl(1) 125(2) yes . . 2_554
Ca(3) Ca(2) Cl(1) 125(2) yes . . 7_556
Ca(3) Ca(2) Cl(1) 132(2) yes . . 8_555
Ca(3) Ca(2) P(1) 131(3) yes . . .
Ca(3) Ca(2) F(1) 140(3) yes . . .
Ca(3) Ca(2) O(1) 125(2) yes . . .
Ca(3) Ca(2) O(1) 64.4(6) yes . . 6_555
Ca(3) Ca(2) O(1) 64.4(6) yes . . 9_555
Ca(3) Ca(2) O(1) 125(2) yes . . 10_555
Ca(3) Ca(2) O(2) 59(3) yes . . 3_655
Cl(1) Ca(2) Cl(1) 70.9(3) yes . . 2_554
Cl(1) Ca(2) Cl(1) 12.80(3) yes . . 7_556
Cl(1) Ca(2) Cl(1) 58.1(3) yes . . 8_555
Cl(1) Ca(2) P(1) 89.4(5) yes . . .
Cl(1) Ca(2) F(1) 29.06(16) yes . . .
Cl(1) Ca(2) O(1) 102.5(7) yes . . .
Cl(1) Ca(2) O(1) 77.58(17) yes . . 6_555
Cl(1) Ca(2) O(1) 130.8(4) yes . . 9_555
Cl(1) Ca(2) O(1) 73.9(4) yes . . 10_555
Cl(1) Ca(2) O(2) 145.7(3) yes . . 3_655
Cl(1) Ca(2) Cl(1) 83.7(3) yes 2_554 . 7_556
Cl(1) Ca(2) Cl(1) 12.80(3) yes 2_554 . 8_555
Cl(1) Ca(2) P(1) 89.5(4) yes 2_554 . .
Cl(1) Ca(2) F(1) 41.87(19) yes 2_554 . .
Cl(1) Ca(2) O(1) 68.5(3) yes 2_554 . .
Cl(1) Ca(2) O(1) 141.5(4) yes 2_554 . 6_555
Cl(1) Ca(2) O(1) 65.81(15) yes 2_554 . 9_555
Cl(1) Ca(2) O(1) 108.2(7) yes 2_554 . 10_555
Cl(1) Ca(2) O(2) 134.7(2) yes 2_554 . 3_655
Cl(1) Ca(2) Cl(1) 70.9(3) yes 7_556 . 8_555
Cl(1) Ca(2) P(1) 89.5(4) yes 7_556 . .
Cl(1) Ca(2) F(1) 41.87(19) yes 7_556 . .
Cl(1) Ca(2) O(1) 108.2(7) yes 7_556 . .
Cl(1) Ca(2) O(1) 65.81(15) yes 7_556 . 6_555
Cl(1) Ca(2) O(1) 141.5(4) yes 7_556 . 9_555
Cl(1) Ca(2) O(1) 68.5(3) yes 7_556 . 10_555
Cl(1) Ca(2) O(2) 134.7(2) yes 7_556 . 3_655
Cl(1) Ca(2) P(1) 89.4(5) yes 8_555 . .
Cl(1) Ca(2) F(1) 29.06(16) yes 8_555 . .
Cl(1) Ca(2) O(1) 73.9(4) yes 8_555 . .
Cl(1) Ca(2) O(1) 130.8(4) yes 8_555 . 6_555
Cl(1) Ca(2) O(1) 77.58(17) yes 8_555 . 9_555
Cl(1) Ca(2) O(1) 102.5(7) yes 8_555 . 10_555
Cl(1) Ca(2) O(2) 145.7(3) yes 8_555 . 3_655
P(1) Ca(2) F(1) 89.3(6) yes . . .
P(1) Ca(2) O(1) 30.6(2) yes . . .
P(1) Ca(2) O(1) 112.1(3) yes . . 6_555
P(1) Ca(2) O(1) 112.1(3) yes . . 9_555
P(1) Ca(2) O(1) 30.6(2) yes . . 10_555
P(1) Ca(2) O(2) 71.5(3) yes . . 3_655
F(1) Ca(2) O(1) 88.0(6) yes . . .
F(1) Ca(2) O(1) 104.5(3) yes . . 6_555
F(1) Ca(2) O(1) 104.5(3) yes . . 9_555
F(1) Ca(2) O(1) 88.0(6) yes . . 10_555
F(1) Ca(2) O(2) 160.8(9) yes . . 3_655
O(1) Ca(2) O(1) 141.7(4) yes . . 6_555
O(1) Ca(2) O(1) 82.87(14) yes . . 9_555
O(1) Ca(2) O(1) 61.1(4) yes . . 10_555
O(1) Ca(2) O(2) 75.6(3) yes . . 3_655
O(1) Ca(2) O(1) 126.6(8) yes 6_555 . 9_555
O(1) Ca(2) O(1) 82.87(14) yes 6_555 . 10_555
O(1) Ca(2) O(2) 83.5(4) yes 6_555 . 3_655
O(1) Ca(2) O(1) 141.7(4) yes 9_555 . 10_555
O(1) Ca(2) O(2) 83.5(4) yes 9_555 . 3_655
O(1) Ca(2) O(2) 75.6(3) yes 10_555 . 3_655
Ca(3) Cl(1) Ca(3) 87.57(2) yes . . 2_555
Ca(3) Cl(1) Ca(3) 100.36(3) yes . . 3_555
Ca(3) Cl(1) Ca(3) 167.49(3) yes . . 4_555
Ca(3) Cl(1) Ca(3) 100.36(3) yes . . 5_555
Ca(3) Cl(1) Ca(3) 87.57(3) yes . . 6_555
Ca(3) Cl(1) Ca(2) 3.0(3) yes . . .
Ca(3) Cl(1) Ca(2) 90.5(2) yes . . 2_555
Ca(3) Cl(1) Ca(2) 101.4(2) yes . . 3_555
Ca(3) Cl(1) Ca(2) 165.4(2) yes . . 4_555
Ca(3) Cl(1) Ca(2) 97.4(3) yes . . 5_555
Ca(3) Cl(1) Ca(2) 87.1(2) yes . . 6_555
Ca(3) Cl(1) Cl(1) 117.513(18) yes . . 7_556
Ca(3) Cl(1) F(1) 62.487(18) yes . . .
Ca(3) Cl(1) Ca(3) 87.57(3) yes 2_555 . 3_555
Ca(3) Cl(1) Ca(3) 83.08(2) yes 2_555 . 4_555
Ca(3) Cl(1) Ca(3) 167.49(2) yes 2_555 . 5_555
Ca(3) Cl(1) Ca(3) 83.08(3) yes 2_555 . 6_555
Ca(3) Cl(1) Ca(2) 87.05(19) yes 2_555 . .
Ca(3) Cl(1) Ca(2) 2.9(2) yes 2_555 . 2_555
Ca(3) Cl(1) Ca(2) 90.5(2) yes 2_555 . 3_555
Ca(3) Cl(1) Ca(2) 83.16(17) yes 2_555 . 4_555
Ca(3) Cl(1) Ca(2) 168.77(17) yes 2_555 . 5_555
Ca(3) Cl(1) Ca(2) 80.2(2) yes 2_555 . 6_555
Ca(3) Cl(1) Cl(1) 49.972(15) yes 2_555 . 7_556
Ca(3) Cl(1) F(1) 130.028(15) yes 2_555 . .
Ca(3) Cl(1) Ca(3) 87.57(3) yes 3_555 . 4_555
Ca(3) Cl(1) Ca(3) 100.36(3) yes 3_555 . 5_555
Ca(3) Cl(1) Ca(3) 167.49(3) yes 3_555 . 6_555
Ca(3) Cl(1) Ca(2) 97.4(3) yes 3_555 . .
Ca(3) Cl(1) Ca(2) 87.1(3) yes 3_555 . 2_555
Ca(3) Cl(1) Ca(2) 3.0(2) yes 3_555 . 3_555
Ca(3) Cl(1) Ca(2) 90.5(3) yes 3_555 . 4_555
Ca(3) Cl(1) Ca(2) 101.4(3) yes 3_555 . 5_555
Ca(3) Cl(1) Ca(2) 165.4(2) yes 3_555 . 6_555
Ca(3) Cl(1) Cl(1) 117.51(2) yes 3_555 . 7_556
Ca(3) Cl(1) F(1) 62.49(2) yes 3_555 . .
Ca(3) Cl(1) Ca(3) 87.57(2) yes 4_555 . 5_555
Ca(3) Cl(1) Ca(3) 83.08(3) yes 4_555 . 6_555
Ca(3) Cl(1) Ca(2) 168.77(13) yes 4_555 . .
Ca(3) Cl(1) Ca(2) 80.2(2) yes 4_555 . 2_555
Ca(3) Cl(1) Ca(2) 87.0(2) yes 4_555 . 3_555
Ca(3) Cl(1) Ca(2) 2.9(3) yes 4_555 . 4_555
Ca(3) Cl(1) Ca(2) 90.5(2) yes 4_555 . 5_555
Ca(3) Cl(1) Ca(2) 83.2(2) yes 4_555 . 6_555
Ca(3) Cl(1) Cl(1) 49.972(18) yes 4_555 . 7_556
Ca(3) Cl(1) F(1) 130.028(18) yes 4_555 . .
Ca(3) Cl(1) Ca(3) 87.57(3) yes 5_555 . 6_555
Ca(3) Cl(1) Ca(2) 101.4(2) yes 5_555 . .
Ca(3) Cl(1) Ca(2) 165.44(13) yes 5_555 . 2_555
Ca(3) Cl(1) Ca(2) 97.4(2) yes 5_555 . 3_555
Ca(3) Cl(1) Ca(2) 87.08(19) yes 5_555 . 4_555
Ca(3) Cl(1) Ca(2) 3.0(3) yes 5_555 . 5_555
Ca(3) Cl(1) Ca(2) 90.45(19) yes 5_555 . 6_555
Ca(3) Cl(1) Cl(1) 117.513(16) yes 5_555 . 7_556
Ca(3) Cl(1) F(1) 62.487(16) yes 5_555 . .
Ca(3) Cl(1) Ca(2) 90.5(3) yes 6_555 . .
Ca(3) Cl(1) Ca(2) 83.2(3) yes 6_555 . 2_555
Ca(3) Cl(1) Ca(2) 168.8(2) yes 6_555 . 3_555
Ca(3) Cl(1) Ca(2) 80.2(3) yes 6_555 . 4_555
Ca(3) Cl(1) Ca(2) 87.0(3) yes 6_555 . 5_555
Ca(3) Cl(1) Ca(2) 2.9(2) yes 6_555 . 6_555
Ca(3) Cl(1) Cl(1) 49.97(2) yes 6_555 . 7_556
Ca(3) Cl(1) F(1) 130.03(2) yes 6_555 . .
Ca(2) Cl(1) Ca(2) 89.9(3) yes . . 2_555
Ca(2) Cl(1) Ca(2) 98.4(4) yes . . 3_555
Ca(2) Cl(1) Ca(2) 167.2(2) yes . . 4_555
Ca(2) Cl(1) Ca(2) 98.4(3) yes . . 5_555
Ca(2) Cl(1) Ca(2) 89.9(4) yes . . 6_555
Ca(2) Cl(1) Cl(1) 119.06(16) yes . . 7_556
Ca(2) Cl(1) F(1) 60.94(16) yes . . .
Ca(2) Cl(1) Ca(2) 89.9(3) yes 2_555 . 3_555
Ca(2) Cl(1) Ca(2) 80.3(2) yes 2_555 . 4_555
Ca(2) Cl(1) Ca(2) 167.20(19) yes 2_555 . 5_555
Ca(2) Cl(1) Ca(2) 80.3(3) yes 2_555 . 6_555
Ca(2) Cl(1) Cl(1) 48.13(15) yes 2_555 . 7_556
Ca(2) Cl(1) F(1) 131.87(15) yes 2_555 . .
Ca(2) Cl(1) Ca(2) 89.9(4) yes 3_555 . 4_555
Ca(2) Cl(1) Ca(2) 98.4(4) yes 3_555 . 5_555
Ca(2) Cl(1) Ca(2) 167.2(3) yes 3_555 . 6_555
Ca(2) Cl(1) Cl(1) 119.1(2) yes 3_555 . 7_556
Ca(2) Cl(1) F(1) 60.9(2) yes 3_555 . .
Ca(2) Cl(1) Ca(2) 89.9(3) yes 4_555 . 5_555
Ca(2) Cl(1) Ca(2) 80.3(4) yes 4_555 . 6_555
Ca(2) Cl(1) Cl(1) 48.13(19) yes 4_555 . 7_556
Ca(2) Cl(1) F(1) 131.87(19) yes 4_555 . .
Ca(2) Cl(1) Ca(2) 89.9(3) yes 5_555 . 6_555
Ca(2) Cl(1) Cl(1) 119.06(12) yes 5_555 . 7_556
Ca(2) Cl(1) F(1) 60.94(12) yes 5_555 . .
Ca(2) Cl(1) Cl(1) 48.1(2) yes 6_555 . 7_556
Ca(2) Cl(1) F(1) 131.9(2) yes 6_555 . .
Cl(1) Cl(1) F(1) 180.0000 yes 7_556 . .
Ca(1) P(1) Ca(1) 64.452(8) yes 2_655 . 7_665
Ca(1) P(1) Ca(3) 78.10(2) yes 2_655 . .
Ca(1) P(1) Ca(2) 80.4(2) yes 2_655 . .
Ca(1) P(1) O(1) 111.52(3) yes 2_655 . .
Ca(1) P(1) O(1) 60.30(2) yes 2_655 . 10_555
Ca(1) P(1) O(2) 47.29(2) yes 2_655 . .
Ca(1) P(1) O(3) 135.696(14) yes 2_655 . .
Ca(1) P(1) Ca(3) 78.10(2) yes 7_665 . .
Ca(1) P(1) Ca(2) 80.4(2) yes 7_665 . .
Ca(1) P(1) O(1) 60.30(2) yes 7_665 . .
Ca(1) P(1) O(1) 111.52(3) yes 7_665 . 10_555
Ca(1) P(1) O(2) 47.28(2) yes 7_665 . .
Ca(1) P(1) O(3) 135.696(14) yes 7_665 . .
Ca(3) P(1) Ca(2) 2.8(3) yes . . .
Ca(3) P(1) O(1) 54.24(2) yes . . .
Ca(3) P(1) O(1) 54.24(2) yes . . 10_555
Ca(3) P(1) O(2) 112.58(4) yes . . .
Ca(3) P(1) O(3) 136.34(3) yes . . .
Ca(2) P(1) O(1) 54.05(2) yes . . .
Ca(2) P(1) O(1) 54.05(2) yes . . 10_555
Ca(2) P(1) O(2) 115.4(3) yes . . .
Ca(2) P(1) O(3) 133.6(3) yes . . .
O(1) P(1) O(1) 107.90(3) yes . . 10_555
O(1) P(1) O(2) 106.72(2) yes . . .
O(1) P(1) O(3) 112.05(3) yes . . .
O(1) P(1) O(2) 106.72(2) yes 10_555 . .
O(1) P(1) O(3) 112.05(3) yes 10_555 . .
O(2) P(1) O(3) 111.09(3) yes . . .
Ca(3) F(1) Ca(3) 120.00(4) yes . . 3_555
Ca(3) F(1) Ca(3) 120.00(5) yes . . 5_555
Ca(3) F(1) Ca(2) 2.9(4) yes . . .
Ca(3) F(1) Ca(2) 122.9(2) yes . . 3_555
Ca(3) F(1) Ca(2) 117.1(5) yes . . 5_555
Ca(3) F(1) Cl(1) 90.0000 yes . . .
Ca(3) F(1) Cl(1) 90.0000 yes . . 8_555
Ca(3) F(1) Ca(3) 120.00(4) yes 3_555 . 5_555
Ca(3) F(1) Ca(2) 117.1(4) yes 3_555 . .
Ca(3) F(1) Ca(2) 2.9(2) yes 3_555 . 3_555
Ca(3) F(1) Ca(2) 122.9(5) yes 3_555 . 5_555
Ca(3) F(1) Cl(1) 90.0000 yes 3_555 . .
Ca(3) F(1) Cl(1) 90.0000 yes 3_555 . 8_555
Ca(3) F(1) Ca(2) 122.9(4) yes 5_555 . .
Ca(3) F(1) Ca(2) 117.1(2) yes 5_555 . 3_555
Ca(3) F(1) Ca(2) 2.9(5) yes 5_555 . 5_555
Ca(3) F(1) Cl(1) 90.0000 yes 5_555 . .
Ca(3) F(1) Cl(1) 90.0000 yes 5_555 . 8_555
Ca(2) F(1) Ca(2) 120.0(5) yes . . 3_555
Ca(2) F(1) Ca(2) 120.0(6) yes . . 5_555
Ca(2) F(1) Cl(1) 90.0000 yes . . .
Ca(2) F(1) Cl(1) 90.0000 yes . . 8_555
Ca(2) F(1) Ca(2) 120.0(5) yes 3_555 . 5_555
Ca(2) F(1) Cl(1) 90.0000 yes 3_555 . .
Ca(2) F(1) Cl(1) 90.0000 yes 3_555 . 8_555
Ca(2) F(1) Cl(1) 90.0000 yes 5_555 . .
Ca(2) F(1) Cl(1) 90.0000 yes 5_555 . 8_555
Cl(1) F(1) Cl(1) 180.0000 yes . . 8_555
Ca(1) O(1) Ca(3) 96.59(3) yes 7_665 . .
Ca(1) O(1) Ca(3) 102.47(3) yes 7_665 . 2_554
Ca(1) O(1) Ca(2) 100.0(3) yes 7_665 . .
Ca(1) O(1) Ca(2) 106.8(3) yes 7_665 . 2_554
Ca(1) O(1) P(1) 91.30(2) yes 7_665 . .
Ca(3) O(1) Ca(3) 118.82(4) yes . . 2_554
Ca(3) O(1) Ca(2) 3.7(3) yes . . .
Ca(3) O(1) Ca(2) 116.7(3) yes . . 2_554
Ca(3) O(1) P(1) 96.67(3) yes . . .
Ca(3) O(1) Ca(2) 118.81(17) yes 2_554 . .
Ca(3) O(1) Ca(2) 4.4(2) yes 2_554 . 2_554
Ca(3) O(1) P(1) 139.50(5) yes 2_554 . .
Ca(2) O(1) Ca(2) 116.4(4) yes . . 2_554
Ca(2) O(1) P(1) 95.3(2) yes . . .
Ca(2) O(1) P(1) 139.0(4) yes 2_554 . .
Ca(1) O(2) Ca(1) 88.97(2) yes 2_655 . 7_665
Ca(1) O(2) Ca(3) 114.77(2) yes 2_655 . 5_665
Ca(1) O(2) Ca(2) 112.0(2) yes 2_655 . 5_665
Ca(1) O(2) P(1) 105.11(2) yes 2_655 . .
Ca(1) O(2) Ca(3) 114.76(2) yes 7_665 . 5_665
Ca(1) O(2) Ca(2) 112.0(2) yes 7_665 . 5_665
Ca(1) O(2) P(1) 105.11(2) yes 7_665 . .
Ca(3) O(2) Ca(2) 4.3(4) yes 5_665 . 5_665
Ca(3) O(2) P(1) 122.62(5) yes 5_665 . .
Ca(2) O(2) P(1) 126.9(4) yes 5_665 . .
Ca(1) O(3) Ca(1) 87.96(2) yes . . 8_565
Ca(1) O(3) Ca(3) 96.58(3) yes . . 3_555
Ca(1) O(3) P(1) 133.179(18) yes . . .
Ca(1) O(3) Ca(3) 96.58(3) yes 8_565 . 3_555
Ca(1) O(3) P(1) 133.177(18) yes 8_565 . .
Ca(3) O(3) P(1) 98.86(4) yes 3_555 . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ca(1) Ca(1) P(1) Ca(3) 82.364(11) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) Ca(2) 83.90(13) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(1) 38.85(2) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(2) -54.41(2) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(3) -130.23(3) ? 8_564 . 2_554 2_554
P(1) Ca(1) Ca(1) P(1) -119.999(8) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) P(1) 120.000(9) ? 2_554 . 8_564 6_564
P(1) Ca(1) Ca(1) O(1) -18.919(16) ? 2_554 . 8_564 2_554
P(1) Ca(1) Ca(1) O(1) -138.920(13) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) O(1) 101.079(11) ? 2_554 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) 31.88(2) ? 2_554 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) -88.114(17) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) 151.89(2) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) 82.364(14) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) Ca(2) 83.90(16) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) 38.850(19) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(2) -54.41(2) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) -130.23(2) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) 137.80(2) ? 8_564 . 4_664 7_665
P(1) Ca(1) Ca(1) P(1) 119.999(8) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) P(1) -120.001(7) ? 4_664 . 8_564 6_564
P(1) Ca(1) Ca(1) O(1) 101.080(15) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) O(1) -18.921(12) ? 4_664 . 8_564 4_664
P(1) Ca(1) Ca(1) O(1) -138.922(10) ? 4_664 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) 151.88(2) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) 31.885(16) ? 4_664 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) -88.12(2) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) 82.366(18) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) Ca(2) 83.9(2) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(1) 38.85(2) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(2) -54.407(18) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(3) -130.23(3) ? 8_564 . 6_564 6_564
P(1) Ca(1) Ca(1) P(1) -120.000(9) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) P(1) 120.001(7) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(1) -138.920(15) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) O(1) 101.080(12) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(1) -18.921(10) ? 6_564 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) -88.12(2) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) 151.886(16) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) 31.89(2) ? 6_564 . 8_564 6_564
O(1) Ca(1) Ca(1) P(1) 138.919(13) ? 7_665 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) 18.920(12) ? 7_665 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) -101.081(12) ? 7_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(1) 120.000(18) ? 7_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(1) -120.002(14) ? 7_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) 170.80(2) ? 7_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) 50.805(19) ? 7_665 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) -69.20(2) ? 7_665 . 8_564 6_564
O(1) Ca(1) Ca(1) P(1) -101.080(11) ? 9_565 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) 138.921(10) ? 9_565 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) 18.920(10) ? 9_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(1) -120.000(17) ? 9_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(1) 120.000(14) ? 9_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(1) -0.001(11) ? 9_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) -69.20(2) ? 9_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) 170.806(18) ? 9_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) 50.81(2) ? 9_565 . 8_564 6_564
Ca(1) Ca(1) O(1) Ca(3) 61.64(2) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(1) Ca(2) 60.4(2) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(1) P(1) -35.23(2) ? 8_564 . 11_555 2_554
O(1) Ca(1) Ca(1) P(1) 18.921(16) ? 11_555 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) -101.078(15) ? 11_555 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) 138.921(15) ? 11_555 . 8_564 6_564
O(1) Ca(1) Ca(1) O(1) 0.001(18) ? 11_555 . 8_564 2_554
O(1) Ca(1) Ca(1) O(1) -119.999(18) ? 11_555 . 8_564 4_664
O(1) Ca(1) Ca(1) O(1) 120.000(17) ? 11_555 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) 50.81(2) ? 11_555 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) -69.19(2) ? 11_555 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) 170.81(2) ? 11_555 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.37(3) ? 8_564 . 2_554 2_554
O(2) Ca(1) Ca(1) P(1) -31.88(2) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) -151.88(2) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) 88.12(2) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(1) -50.80(2) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) O(1) -170.80(2) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(1) 69.19(2) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(2) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(2) 120.00(3) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.37(2) ? 8_564 . 4_664 4_664
O(2) Ca(1) Ca(1) P(1) 88.114(17) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) -31.885(16) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) -151.886(16) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(1) 69.19(2) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(1) -50.805(19) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) O(1) -170.807(18) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) 120.00(2) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) -120.00(3) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.38(2) ? 8_564 . 6_564 6_564
O(2) Ca(1) Ca(1) P(1) -151.89(2) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) 88.12(2) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) -31.89(2) ? 6_564 . 8_564 6_564
O(2) Ca(1) Ca(1) O(1) -170.80(2) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(1) 69.20(2) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) O(1) -50.81(2) ? 6_564 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(3) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) 120.00(3) ? 6_564 . 8_564 4_664
Ca(1) Ca(1) O(3) Ca(1) 179.9961770(10) ? 8_564 . . 8_565
Ca(1) Ca(1) O(3) P(1) 25.11(4) ? 8_564 . . .
Ca(1) Ca(1) O(3) Ca(3) -83.61(3) ? 8_564 . . 3_555
O(3) Ca(1) Ca(1) P(1) 69.75(2) ? . . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) -50.248(19) ? . . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) -170.249(19) ? . . 8_564 6_564
O(3) Ca(1) Ca(1) O(1) 50.83(2) ? . . 8_564 2_554
O(3) Ca(1) Ca(1) O(1) -69.17(2) ? . . 8_564 4_664
O(3) Ca(1) Ca(1) O(1) 170.83(2) ? . . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) 101.64(2) ? . . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) -18.36(2) ? . . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) -138.36(3) ? . . 8_564 6_564
Ca(1) Ca(1) O(3) Ca(1) -179.9959790(10) ? 8_564 . 3_665 8_565
Ca(1) Ca(1) O(3) P(1) 25.11(7) ? 8_564 . 3_665 3_665
O(3) Ca(1) Ca(1) P(1) -170.25(2) ? 3_665 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) 69.75(2) ? 3_665 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) -50.25(2) ? 3_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(1) 170.83(3) ? 3_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(1) 50.83(2) ? 3_665 . 8_564 4_664
O(3) Ca(1) Ca(1) O(1) -69.17(2) ? 3_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) -138.37(3) ? 3_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) 101.63(3) ? 3_665 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) -18.37(3) ? 3_665 . 8_564 6_564
Ca(1) Ca(1) O(3) P(1) 25.11(6) ? 8_564 . 5_565 5_565
O(3) Ca(1) Ca(1) P(1) -50.25(2) ? 5_565 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) -170.25(2) ? 5_565 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) 69.75(2) ? 5_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(1) -69.17(2) ? 5_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(1) 170.83(2) ? 5_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(1) 50.83(2) ? 5_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) -18.37(3) ? 5_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) -138.36(2) ? 5_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) 101.64(3) ? 5_565 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) -97.633(11) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) Ca(2) -96.10(13) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(1) -141.15(2) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(2) 125.59(2) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(3) 49.77(3) ? 8_565 . 2_554 2_554
P(1) Ca(1) Ca(1) O(3) 69.75(2) ? 2_554 . 8_565 .
P(1) Ca(1) Ca(1) O(3) -170.25(2) ? 2_554 . 8_565 3_665
P(1) Ca(1) Ca(1) O(3) -50.25(2) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) P(1) Ca(3) -97.635(14) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) Ca(2) -96.10(16) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) -141.149(19) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(2) 125.59(2) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) 49.77(2) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) -42.20(2) ? 8_565 . 4_664 7_665
P(1) Ca(1) Ca(1) O(3) -50.251(19) ? 4_664 . 8_565 .
P(1) Ca(1) Ca(1) O(3) 69.75(2) ? 4_664 . 8_565 3_665
P(1) Ca(1) Ca(1) O(3) -170.25(2) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) P(1) Ca(3) -97.637(18) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) Ca(2) -96.1(2) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(1) -141.15(2) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(2) 125.589(18) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(3) 49.77(3) ? 8_565 . 6_564 6_564
P(1) Ca(1) Ca(1) O(3) -170.249(19) ? 6_564 . 8_565 .
P(1) Ca(1) Ca(1) O(3) -50.25(2) ? 6_564 . 8_565 3_665
P(1) Ca(1) Ca(1) O(3) 69.75(2) ? 6_564 . 8_565 5_565
O(1) Ca(1) Ca(1) O(3) -69.17(2) ? 7_665 . 8_565 .
O(1) Ca(1) Ca(1) O(3) 50.83(2) ? 7_665 . 8_565 3_665
O(1) Ca(1) Ca(1) O(3) 170.83(2) ? 7_665 . 8_565 5_565
O(1) Ca(1) Ca(1) O(3) 170.83(2) ? 9_565 . 8_565 .
O(1) Ca(1) Ca(1) O(3) -69.17(2) ? 9_565 . 8_565 3_665
O(1) Ca(1) Ca(1) O(3) 50.83(2) ? 9_565 . 8_565 5_565
Ca(1) Ca(1) O(1) Ca(3) -118.35(2) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(1) Ca(2) -119.6(2) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(1) P(1) 144.78(2) ? 8_565 . 11_555 2_554
O(1) Ca(1) Ca(1) O(3) 50.83(2) ? 11_555 . 8_565 .
O(1) Ca(1) Ca(1) O(3) 170.83(3) ? 11_555 . 8_565 3_665
O(1) Ca(1) Ca(1) O(3) -69.17(2) ? 11_555 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.62(3) ? 8_565 . 2_554 2_554
O(2) Ca(1) Ca(1) O(3) 101.63(2) ? 2_554 . 8_565 .
O(2) Ca(1) Ca(1) O(3) -138.37(3) ? 2_554 . 8_565 3_665
O(2) Ca(1) Ca(1) O(3) -18.37(3) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.62(2) ? 8_565 . 4_664 4_664
O(2) Ca(1) Ca(1) O(3) -18.37(2) ? 4_664 . 8_565 .
O(2) Ca(1) Ca(1) O(3) 101.63(3) ? 4_664 . 8_565 3_665
O(2) Ca(1) Ca(1) O(3) -138.37(2) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.63(2) ? 8_565 . 6_564 6_564
O(2) Ca(1) Ca(1) O(3) -138.36(3) ? 6_564 . 8_565 .
O(2) Ca(1) Ca(1) O(3) -18.36(3) ? 6_564 . 8_565 3_665
O(2) Ca(1) Ca(1) O(3) 101.64(3) ? 6_564 . 8_565 5_565
Ca(1) Ca(1) O(3) P(1) -154.89(4) ? 8_565 . . .
Ca(1) Ca(1) O(3) Ca(3) 96.39(3) ? 8_565 . . 3_555
O(3) Ca(1) Ca(1) O(3) 120.00(3) ? . . 8_565 3_665
O(3) Ca(1) Ca(1) O(3) -120.00(2) ? . . 8_565 5_565
Ca(1) Ca(1) O(3) P(1) -154.89(7) ? 8_565 . 3_665 3_665
O(3) Ca(1) Ca(1) O(3) -120.00(3) ? 3_665 . 8_565 .
O(3) Ca(1) Ca(1) O(3) 120.00(3) ? 3_665 . 8_565 5_565
Ca(1) Ca(1) O(3) P(1) -154.89(6) ? 8_565 . 5_565 5_565
O(3) Ca(1) Ca(1) O(3) 120.00(2) ? 5_565 . 8_565 .
O(3) Ca(1) Ca(1) O(3) -120.00(3) ? 5_565 . 8_565 3_665
P(1) Ca(1) P(1) Ca(3) 129.639(14) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) Ca(2) 131.18(16) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(1) 86.12(2) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(2) -7.14(2) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(3) -82.96(2) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(1) -174.93(2) ? 2_554 . 4_664 7_665
P(1) Ca(1) P(1) Ca(3) 35.091(12) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) Ca(2) 36.63(13) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(1) -8.42(2) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(2) -101.68(2) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(3) -177.50(3) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) Ca(3) 35.092(19) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) Ca(2) 36.6(2) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(1) -8.42(2) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(2) -101.681(19) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(3) -177.50(3) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) Ca(3) 129.637(12) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) Ca(2) 131.17(13) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(1) 86.12(2) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(2) -7.14(2) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(3) -82.96(3) ? 6_564 . 2_554 2_554
O(1) Ca(1) P(1) Ca(3) 32.235(19) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) 33.77(13) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) O(1) -11.28(3) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) O(2) -104.54(3) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) O(3) 179.64(3) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) Ca(3) 158.107(16) ? 9_565 . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) 159.64(13) ? 9_565 . 2_554 2_554
O(1) Ca(1) P(1) O(1) 114.59(3) ? 9_565 . 2_554 2_554
O(1) Ca(1) P(1) O(2) 21.33(3) ? 9_565 . 2_554 2_554
O(1) Ca(1) P(1) O(3) -54.49(3) ? 9_565 . 2_554 2_554
P(1) Ca(1) O(1) Ca(3) 96.87(3) ? 2_554 . 11_555 2_554
P(1) Ca(1) O(1) Ca(2) 95.7(2) ? 2_554 . 11_555 2_554
O(1) Ca(1) P(1) Ca(3) -55.43(3) ? 11_555 . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) -53.89(13) ? 11_555 . 2_554 2_554
O(1) Ca(1) P(1) O(1) -98.95(4) ? 11_555 . 2_554 2_554
O(1) Ca(1) P(1) O(2) 167.80(4) ? 11_555 . 2_554 2_554
O(1) Ca(1) P(1) O(3) 91.97(4) ? 11_555 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 136.77(3) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 138.31(13) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) O(1) 93.26(3) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) O(3) -75.82(4) ? 2_554 . 2_554 2_554
P(1) Ca(1) O(2) P(1) 172.26(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 31.501(17) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 33.04(13) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(1) -12.01(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(2) -105.27(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(3) 178.91(3) ? 4_664 . 2_554 2_554
P(1) Ca(1) O(2) P(1) 81.562(17) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 102.27(2) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 103.81(13) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(1) 58.76(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(2) -34.50(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(3) -110.32(3) ? 6_564 . 2_554 2_554
P(1) Ca(1) O(3) Ca(1) -126.492(12) ? 2_554 . . 8_565
P(1) Ca(1) O(3) P(1) 78.62(3) ? 2_554 . . .
P(1) Ca(1) O(3) Ca(3) -30.10(2) ? 2_554 . . 3_555
O(3) Ca(1) P(1) Ca(3) -54.488(19) ? . . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) -52.95(13) ? . . 2_554 2_554
O(3) Ca(1) P(1) O(1) -98.00(3) ? . . 2_554 2_554
O(3) Ca(1) P(1) O(2) 168.74(3) ? . . 2_554 2_554
O(3) Ca(1) P(1) O(3) 92.92(3) ? . . 2_554 2_554
P(1) Ca(1) O(3) Ca(1) 36.26(9) ? 2_554 . 3_665 8_565
P(1) Ca(1) O(3) P(1) -118.63(4) ? 2_554 . 3_665 3_665
O(3) Ca(1) P(1) Ca(3) -127.84(7) ? 3_665 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) -126.30(15) ? 3_665 . 2_554 2_554
O(3) Ca(1) P(1) O(1) -171.35(7) ? 3_665 . 2_554 2_554
O(3) Ca(1) P(1) O(2) 95.39(7) ? 3_665 . 2_554 2_554
O(3) Ca(1) P(1) O(3) 19.57(8) ? 3_665 . 2_554 2_554
P(1) Ca(1) O(3) Ca(1) 139.419(15) ? 2_554 . 5_565 8_565
P(1) Ca(1) O(3) P(1) -15.47(5) ? 2_554 . 5_565 5_565
O(3) Ca(1) P(1) Ca(3) -131.23(2) ? 5_565 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) -129.69(13) ? 5_565 . 2_554 2_554
O(3) Ca(1) P(1) O(1) -174.75(3) ? 5_565 . 2_554 2_554
O(3) Ca(1) P(1) O(2) 92.00(3) ? 5_565 . 2_554 2_554
O(3) Ca(1) P(1) O(3) 16.17(3) ? 5_565 . 2_554 2_554
P(1) Ca(1) P(1) Ca(3) 129.638(18) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) Ca(2) 131.2(2) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(1) 86.12(2) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(2) -7.135(18) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(3) -82.96(3) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) Ca(3) 35.092(14) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) Ca(2) 36.63(16) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(1) -8.42(2) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(2) -101.68(2) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(3) -177.50(2) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(1) 90.52(2) ? 6_564 . 4_664 7_665
O(1) Ca(1) P(1) Ca(3) -55.43(2) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) -53.89(17) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) O(1) -98.95(3) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) O(2) 167.79(4) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) O(3) 91.97(3) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) Ca(3) 32.236(18) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) 33.77(17) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) O(1) -11.28(2) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) O(2) -104.54(3) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) O(3) 179.64(2) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) O(1) 87.67(2) ? 9_565 . 4_664 7_665
P(1) Ca(1) O(1) Ca(3) 5.32(2) ? 4_664 . 11_555 2_554
P(1) Ca(1) O(1) Ca(2) 4.1(2) ? 4_664 . 11_555 2_554
P(1) Ca(1) O(1) P(1) -91.55(2) ? 4_664 . 11_555 2_554
O(1) Ca(1) P(1) Ca(3) 158.108(19) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) 159.64(17) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) O(1) 114.59(2) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) O(2) 21.33(3) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -54.49(2) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) O(1) -146.46(2) ? 11_555 . 4_664 7_665
P(1) Ca(1) O(2) P(1) 81.56(2) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 102.275(19) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 103.81(17) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 58.76(2) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(2) -34.50(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(3) -110.32(2) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 157.71(2) ? 2_554 . 4_664 7_665
O(2) Ca(1) P(1) Ca(3) 136.77(3) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 138.31(17) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 93.26(3) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(3) -75.82(3) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(1) -167.79(4) ? 4_664 . 4_664 7_665
P(1) Ca(1) O(2) P(1) 172.26(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 31.501(16) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 33.04(16) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(1) -12.01(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(2) -105.27(3) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 178.91(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 86.93(2) ? 6_564 . 4_664 7_665
P(1) Ca(1) O(3) Ca(1) 139.418(13) ? 4_664 . . 8_565
P(1) Ca(1) O(3) P(1) -15.47(3) ? 4_664 . . .
P(1) Ca(1) O(3) Ca(3) -124.19(2) ? 4_664 . . 3_555
O(3) Ca(1) P(1) Ca(3) -131.232(17) ? . . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) -129.70(16) ? . . 4_664 4_664
O(3) Ca(1) P(1) O(1) -174.75(2) ? . . 4_664 4_664
O(3) Ca(1) P(1) O(2) 91.99(3) ? . . 4_664 4_664
O(3) Ca(1) P(1) O(3) 16.17(2) ? . . 4_664 4_664
O(3) Ca(1) P(1) O(1) -75.80(2) ? . . 4_664 7_665
P(1) Ca(1) O(3) Ca(1) -126.488(17) ? 4_664 . 3_665 8_565
P(1) Ca(1) O(3) P(1) 78.62(5) ? 4_664 . 3_665 3_665
O(3) Ca(1) P(1) Ca(3) -54.490(19) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) -52.95(17) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -98.00(2) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) O(2) 168.74(3) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) O(3) 92.92(2) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) O(1) 0.94(2) ? 3_665 . 4_664 7_665
P(1) Ca(1) O(3) Ca(1) 36.27(5) ? 4_664 . 5_565 8_565
P(1) Ca(1) O(3) P(1) -118.62(5) ? 4_664 . 5_565 5_565
O(3) Ca(1) P(1) Ca(3) -127.85(5) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) -126.31(17) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -171.36(5) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) O(2) 95.38(5) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) O(3) 19.56(5) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -72.42(5) ? 5_565 . 4_664 7_665
O(1) Ca(1) P(1) Ca(3) 158.11(2) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) 159.6(2) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) O(1) 114.59(3) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) O(2) 21.33(2) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) O(3) -54.49(3) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) Ca(3) -55.43(2) ? 9_565 . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) -53.9(2) ? 9_565 . 6_564 6_564
O(1) Ca(1) P(1) O(1) -98.95(3) ? 9_565 . 6_564 6_564
O(1) Ca(1) P(1) O(2) 167.80(2) ? 9_565 . 6_564 6_564
O(1) Ca(1) P(1) O(3) 91.97(4) ? 9_565 . 6_564 6_564
P(1) Ca(1) O(1) Ca(3) 102.87(2) ? 6_564 . 11_555 2_554
P(1) Ca(1) O(1) Ca(2) 101.7(2) ? 6_564 . 11_555 2_554
P(1) Ca(1) O(1) P(1) 6.00(3) ? 6_564 . 11_555 2_554
O(1) Ca(1) P(1) Ca(3) 32.24(2) ? 11_555 . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) 33.8(2) ? 11_555 . 6_564 6_564
O(1) Ca(1) P(1) O(1) -11.28(3) ? 11_555 . 6_564 6_564
O(1) Ca(1) P(1) O(2) -104.54(2) ? 11_555 . 6_564 6_564
O(1) Ca(1) P(1) O(3) 179.64(3) ? 11_555 . 6_564 6_564
P(1) Ca(1) O(2) P(1) 172.26(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 31.50(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 33.0(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(1) -12.01(3) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(2) -105.27(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(3) 178.91(4) ? 2_554 . 6_564 6_564
P(1) Ca(1) O(2) P(1) 81.56(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 102.27(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 103.8(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(1) 58.76(3) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(2) -34.50(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(3) -110.32(3) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 136.77(2) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 138.3(2) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) O(1) 93.26(3) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) O(3) -75.82(4) ? 6_564 . 6_564 6_564
P(1) Ca(1) O(3) Ca(1) 36.28(7) ? 6_564 . . 8_565
P(1) Ca(1) O(3) P(1) -118.62(5) ? 6_564 . . .
P(1) Ca(1) O(3) Ca(3) 132.67(6) ? 6_564 . . 3_555
O(3) Ca(1) P(1) Ca(3) -127.86(7) ? . . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) -126.3(2) ? . . 6_564 6_564
O(3) Ca(1) P(1) O(1) -171.37(7) ? . . 6_564 6_564
O(3) Ca(1) P(1) O(2) 95.37(7) ? . . 6_564 6_564
O(3) Ca(1) P(1) O(3) 19.55(8) ? . . 6_564 6_564
P(1) Ca(1) O(3) Ca(1) 139.420(19) ? 6_564 . 3_665 8_565
P(1) Ca(1) O(3) P(1) -15.47(5) ? 6_564 . 3_665 3_665
O(3) Ca(1) P(1) Ca(3) -131.23(2) ? 3_665 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) -129.7(2) ? 3_665 . 6_564 6_564
O(3) Ca(1) P(1) O(1) -174.75(3) ? 3_665 . 6_564 6_564
O(3) Ca(1) P(1) O(2) 91.99(2) ? 3_665 . 6_564 6_564
O(3) Ca(1) P(1) O(3) 16.17(4) ? 3_665 . 6_564 6_564
P(1) Ca(1) O(3) Ca(1) -126.489(13) ? 6_564 . 5_565 8_565
P(1) Ca(1) O(3) P(1) 78.62(5) ? 6_564 . 5_565 5_565
O(3) Ca(1) P(1) Ca(3) -54.49(2) ? 5_565 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) -53.0(2) ? 5_565 . 6_564 6_564
O(3) Ca(1) P(1) O(1) -98.00(3) ? 5_565 . 6_564 6_564
O(3) Ca(1) P(1) O(2) 168.74(2) ? 5_565 . 6_564 6_564
O(3) Ca(1) P(1) O(3) 92.92(3) ? 5_565 . 6_564 6_564
O(1) Ca(1) O(1) Ca(3) -11.85(3) ? 7_665 . 11_555 2_554
O(1) Ca(1) O(1) Ca(2) -13.1(2) ? 7_665 . 11_555 2_554
O(1) Ca(1) O(1) P(1) -108.72(3) ? 7_665 . 11_555 2_554
O(1) Ca(1) O(2) P(1) 94.29(2) ? 7_665 . 2_554 2_554
O(1) Ca(1) O(2) P(1) -6.99(2) ? 7_665 . 4_664 4_664
O(1) Ca(1) O(2) P(1) -157.01(2) ? 7_665 . 6_564 6_564
O(1) Ca(1) O(3) Ca(1) 111.696(17) ? 7_665 . . 8_565
O(1) Ca(1) O(3) P(1) -43.20(3) ? 7_665 . . .
O(1) Ca(1) O(3) Ca(3) -151.91(3) ? 7_665 . . 3_555
O(1) Ca(1) O(3) Ca(1) -126.01(2) ? 7_665 . 3_665 8_565
O(1) Ca(1) O(3) P(1) 79.09(5) ? 7_665 . 3_665 3_665
O(1) Ca(1) O(3) Ca(1) -15.87(4) ? 7_665 . 5_565 8_565
O(1) Ca(1) O(3) P(1) -170.76(3) ? 7_665 . 5_565 5_565
O(1) Ca(1) O(1) Ca(3) 135.14(2) ? 9_565 . 11_555 2_554
O(1) Ca(1) O(1) Ca(2) 133.9(2) ? 9_565 . 11_555 2_554
O(1) Ca(1) O(1) P(1) 38.27(3) ? 9_565 . 11_555 2_554
O(1) Ca(1) O(2) P(1) -157.01(3) ? 9_565 . 2_554 2_554
O(1) Ca(1) O(2) P(1) 94.29(3) ? 9_565 . 4_664 4_664
O(1) Ca(1) O(2) P(1) -6.994(16) ? 9_565 . 6_564 6_564
O(1) Ca(1) O(3) Ca(1) -15.87(3) ? 9_565 . . 8_565
O(1) Ca(1) O(3) P(1) -170.76(2) ? 9_565 . . .
O(1) Ca(1) O(3) Ca(3) 80.52(3) ? 9_565 . . 3_555
O(1) Ca(1) O(3) Ca(1) 111.70(2) ? 9_565 . 3_665 8_565
O(1) Ca(1) O(3) P(1) -43.19(5) ? 9_565 . 3_665 3_665
O(1) Ca(1) O(3) Ca(1) -126.014(18) ? 9_565 . 5_565 8_565
O(1) Ca(1) O(3) P(1) 79.09(5) ? 9_565 . 5_565 5_565
O(1) Ca(1) O(2) P(1) -6.99(2) ? 11_555 . 2_554 2_554
O(2) Ca(1) O(1) Ca(3) 103.69(3) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(1) Ca(2) 102.5(2) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(1) P(1) 6.81(2) ? 2_554 . 11_555 2_554
O(1) Ca(1) O(2) P(1) -157.01(3) ? 11_555 . 4_664 4_664
O(2) Ca(1) O(1) Ca(3) 15.78(2) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(1) Ca(2) 14.6(2) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(1) P(1) -81.09(2) ? 4_664 . 11_555 2_554
O(1) Ca(1) O(2) P(1) 94.29(2) ? 11_555 . 6_564 6_564
O(2) Ca(1) O(1) Ca(3) 69.65(3) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(1) Ca(2) 68.4(2) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(1) P(1) -27.22(4) ? 6_564 . 11_555 2_554
O(1) Ca(1) O(3) Ca(1) -126.02(2) ? 11_555 . . 8_565
O(1) Ca(1) O(3) P(1) 79.09(3) ? 11_555 . . .
O(1) Ca(1) O(3) Ca(3) -29.62(2) ? 11_555 . . 3_555
O(3) Ca(1) O(1) Ca(3) -82.14(3) ? . . 11_555 2_554
O(3) Ca(1) O(1) Ca(2) -83.4(2) ? . . 11_555 2_554
O(3) Ca(1) O(1) P(1) -179.01(3) ? . . 11_555 2_554
O(1) Ca(1) O(3) Ca(1) -15.87(5) ? 11_555 . 3_665 8_565
O(1) Ca(1) O(3) P(1) -170.77(4) ? 11_555 . 3_665 3_665
O(3) Ca(1) O(1) Ca(3) -106.83(4) ? 3_665 . 11_555 2_554
O(3) Ca(1) O(1) Ca(2) -108.0(2) ? 3_665 . 11_555 2_554
O(3) Ca(1) O(1) P(1) 156.30(3) ? 3_665 . 11_555 2_554
O(1) Ca(1) O(3) Ca(1) 111.70(2) ? 11_555 . 5_565 8_565
O(1) Ca(1) O(3) P(1) -43.20(5) ? 11_555 . 5_565 5_565
O(3) Ca(1) O(1) Ca(3) -161.09(2) ? 5_565 . 11_555 2_554
O(3) Ca(1) O(1) Ca(2) -162.3(2) ? 5_565 . 11_555 2_554
O(3) Ca(1) O(1) P(1) 102.04(3) ? 5_565 . 11_555 2_554
O(2) Ca(1) O(2) P(1) 144.86(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) O(2) P(1) 65.89(2) ? 4_664 . 2_554 2_554
O(2) Ca(1) O(2) P(1) 65.89(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) O(2) P(1) 144.86(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) O(3) Ca(1) -120.06(2) ? 2_554 . . 8_565
O(2) Ca(1) O(3) P(1) 85.05(4) ? 2_554 . . .
O(2) Ca(1) O(3) Ca(3) -23.66(3) ? 2_554 . . 3_555
O(3) Ca(1) O(2) P(1) -13.81(4) ? . . 2_554 2_554
O(2) Ca(1) O(3) Ca(1) 105.78(2) ? 2_554 . 3_665 8_565
O(2) Ca(1) O(3) P(1) -49.11(7) ? 2_554 . 3_665 3_665
O(3) Ca(1) O(2) P(1) -150.70(3) ? 3_665 . 2_554 2_554
O(2) Ca(1) O(3) Ca(1) 167.01(2) ? 2_554 . 5_565 8_565
O(2) Ca(1) O(3) P(1) 12.12(5) ? 2_554 . 5_565 5_565
O(3) Ca(1) O(2) P(1) -87.73(3) ? 5_565 . 2_554 2_554
O(2) Ca(1) O(2) P(1) 144.86(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) O(2) P(1) 65.89(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) O(3) Ca(1) 167.007(17) ? 4_664 . . 8_565
O(2) Ca(1) O(3) P(1) 12.12(3) ? 4_664 . . .
O(2) Ca(1) O(3) Ca(3) -96.60(2) ? 4_664 . . 3_555
O(3) Ca(1) O(2) P(1) -87.73(2) ? . . 4_664 4_664
O(2) Ca(1) O(3) Ca(1) -120.05(2) ? 4_664 . 3_665 8_565
O(2) Ca(1) O(3) P(1) 85.06(6) ? 4_664 . 3_665 3_665
O(3) Ca(1) O(2) P(1) -13.82(3) ? 3_665 . 4_664 4_664
O(2) Ca(1) O(3) Ca(1) 105.77(3) ? 4_664 . 5_565 8_565
O(2) Ca(1) O(3) P(1) -49.12(8) ? 4_664 . 5_565 5_565
O(3) Ca(1) O(2) P(1) -150.69(3) ? 5_565 . 4_664 4_664
O(2) Ca(1) O(3) Ca(1) 105.78(3) ? 6_564 . . 8_565
O(2) Ca(1) O(3) P(1) -49.11(5) ? 6_564 . . .
O(2) Ca(1) O(3) Ca(3) -157.83(3) ? 6_564 . . 3_555
O(3) Ca(1) O(2) P(1) -150.70(3) ? . . 6_564 6_564
O(2) Ca(1) O(3) Ca(1) 167.01(2) ? 6_564 . 3_665 8_565
O(2) Ca(1) O(3) P(1) 12.12(6) ? 6_564 . 3_665 3_665
O(3) Ca(1) O(2) P(1) -87.73(2) ? 3_665 . 6_564 6_564
O(2) Ca(1) O(3) Ca(1) -120.051(19) ? 6_564 . 5_565 8_565
O(2) Ca(1) O(3) P(1) 85.06(5) ? 6_564 . 5_565 5_565
O(3) Ca(1) O(2) P(1) -13.82(2) ? 5_565 . 6_564 6_564
O(3) Ca(1) O(3) Ca(1) -39.74(2) ? . . 3_665 8_565
O(3) Ca(1) O(3) P(1) 165.37(6) ? . . 3_665 3_665
O(3) Ca(1) O(3) Ca(1) 39.740(19) ? 3_665 . . 8_565
O(3) Ca(1) O(3) P(1) -115.15(4) ? 3_665 . . .
O(3) Ca(1) O(3) Ca(3) 136.13(3) ? 3_665 . . 3_555
O(3) Ca(1) O(3) Ca(1) 39.742(16) ? . . 5_565 8_565
O(3) Ca(1) O(3) P(1) -115.15(5) ? . . 5_565 5_565
O(3) Ca(1) O(3) Ca(1) -39.742(15) ? 5_565 . . 8_565
O(3) Ca(1) O(3) P(1) 165.37(3) ? 5_565 . . .
O(3) Ca(1) O(3) Ca(3) 56.65(2) ? 5_565 . . 3_555
O(3) Ca(1) O(3) Ca(1) -39.739(19) ? 3_665 . 5_565 8_565
O(3) Ca(1) O(3) P(1) 165.37(5) ? 3_665 . 5_565 5_565
O(3) Ca(1) O(3) Ca(1) 39.74(2) ? 5_565 . 3_665 8_565
O(3) Ca(1) O(3) P(1) -115.15(6) ? 5_565 . 3_665 3_665
Ca(2) Ca(3) Cl(1) Ca(3) -80(2) ? . . . 2_555
Ca(2) Ca(3) Cl(1) Ca(3) 7(2) ? . . . 3_555
Ca(2) Ca(3) Cl(1) Ca(3) -122(2) ? . . . 4_555
Ca(2) Ca(3) Cl(1) Ca(3) 110(2) ? . . . 5_555
Ca(2) Ca(3) Cl(1) Ca(3) -163(2) ? . . . 6_555
Ca(2) Ca(3) Cl(1) F(1) 58(2) ? . . . .
Ca(2) Ca(3) Cl(1) Ca(2) -80(2) ? . . . 2_555
Ca(2) Ca(3) Cl(1) Ca(2) 10(2) ? . . . 3_555
Ca(2) Ca(3) Cl(1) Ca(2) -130(3) ? . . . 4_555
Ca(2) Ca(3) Cl(1) Ca(2) 110(2) ? . . . 5_555
Ca(2) Ca(3) Cl(1) Ca(2) -160(2) ? . . . 6_555
Ca(2) Ca(3) Cl(1) Cl(1) -122(2) ? . . . 7_556
Cl(1) Ca(3) Ca(2) Ca(3) -147(4) ? . . . 2_554
Cl(1) Ca(3) Ca(2) P(1) 139(2) ? . . . .
Cl(1) Ca(3) Ca(2) F(1) -41(2) ? . . . .
Cl(1) Ca(3) Ca(2) O(1) 178(3) ? . . . .
Cl(1) Ca(3) Ca(2) Cl(1) -95(4) ? . . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 13.50(6) ? . . . 7_556
Cl(1) Ca(3) Ca(2) Cl(1) -82(4) ? . . . 8_555
Cl(1) Ca(3) Ca(2) O(1) 41(3) ? . . . 6_555
Cl(1) Ca(3) Ca(2) O(1) -122.9(7) ? . . . 9_555
Cl(1) Ca(3) Ca(2) O(1) 100.5(3) ? . . . 10_555
Cl(1) Ca(3) Ca(2) O(2) 139(2) ? . . . 3_655
Ca(2) Ca(3) Cl(1) Ca(3) -8(3) ? . . 2_554 3_555
Ca(2) Ca(3) Cl(1) Ca(3) -91(3) ? . . 2_554 5_555
Ca(2) Ca(3) Cl(1) Ca(3) 80(3) ? . . 2_554 2_554
Ca(2) Ca(3) Cl(1) Ca(2) 79(3) ? . . 2_554 2_554
Ca(2) Ca(3) Cl(1) F(1) 131(3) ? . . 2_554 2_554
Ca(2) Ca(3) Cl(1) Ca(2) -10(3) ? . . 2_554 3_555
Ca(2) Ca(3) Cl(1) Ca(2) -92(3) ? . . 2_554 5_555
Cl(1) Ca(3) Ca(2) Ca(3) -51.64(8) ? 2_554 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 95(4) ? 2_554 . . .
Cl(1) Ca(3) Ca(2) P(1) -125.6(19) ? 2_554 . . .
Cl(1) Ca(3) Ca(2) F(1) 54.4(19) ? 2_554 . . .
Cl(1) Ca(3) Ca(2) O(1) -87.0(2) ? 2_554 . . .
Cl(1) Ca(3) Ca(2) Cl(1) 109(3) ? 2_554 . . 7_556
Cl(1) Ca(3) Ca(2) Cl(1) 13.50(6) ? 2_554 . . 8_555
Cl(1) Ca(3) Ca(2) O(1) 136.4(7) ? 2_554 . . 6_555
Cl(1) Ca(3) Ca(2) O(1) -28(3) ? 2_554 . . 9_555
Cl(1) Ca(3) Ca(2) O(1) -164(3) ? 2_554 . . 10_555
Cl(1) Ca(3) Ca(2) O(2) -125.6(19) ? 2_554 . . 3_655
Ca(2) Ca(3) Cl(1) Ca(3) -80(3) ? . . 7_556 2_555
Ca(2) Ca(3) Cl(1) Ca(3) 8(3) ? . . 7_556 3_555
Ca(2) Ca(3) Cl(1) Ca(3) 49(3) ? . . 7_556 4_555
Ca(2) Ca(3) Cl(1) Ca(3) 91(3) ? . . 7_556 5_555
Ca(2) Ca(3) Cl(1) Ca(3) 179.2(10) ? . . 7_556 6_555
Ca(2) Ca(3) Cl(1) Ca(2) -79(3) ? . . 7_556 2_555
Ca(2) Ca(3) Cl(1) Ca(2) 10(3) ? . . 7_556 3_555
Ca(2) Ca(3) Cl(1) Ca(2) 63(3) ? . . 7_556 4_555
Ca(2) Ca(3) Cl(1) Ca(2) 92(3) ? . . 7_556 5_555
Ca(2) Ca(3) Cl(1) Ca(2) -178(3) ? . . 7_556 6_555
Ca(2) Ca(3) Cl(1) Cl(1) 49(3) ? . . 7_556 .
Ca(2) Ca(3) Cl(1) F(1) -131(3) ? . . 7_556 2_555
Cl(1) Ca(3) Ca(2) Ca(3) -161(4) ? 7_556 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) -13.50(6) ? 7_556 . . .
Cl(1) Ca(3) Ca(2) P(1) 125.6(19) ? 7_556 . . .
Cl(1) Ca(3) Ca(2) F(1) -54.4(19) ? 7_556 . . .
Cl(1) Ca(3) Ca(2) O(1) 164(3) ? 7_556 . . .
Cl(1) Ca(3) Ca(2) Cl(1) -109(3) ? 7_556 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) -95(4) ? 7_556 . . 8_555
Cl(1) Ca(3) Ca(2) O(1) 28(3) ? 7_556 . . 6_555
Cl(1) Ca(3) Ca(2) O(1) -136.4(7) ? 7_556 . . 9_555
Cl(1) Ca(3) Ca(2) O(1) 87.0(2) ? 7_556 . . 10_555
Cl(1) Ca(3) Ca(2) O(2) 125.6(19) ? 7_556 . . 3_655
Ca(2) Ca(3) Cl(1) Ca(3) -7(2) ? . . 8_555 3_555
Ca(2) Ca(3) Cl(1) Ca(3) -110(2) ? . . 8_555 5_555
Ca(2) Ca(3) Cl(1) Ca(2) -10(2) ? . . 8_555 3_555
Ca(2) Ca(3) Cl(1) Ca(2) -110(2) ? . . 8_555 5_555
Ca(2) Ca(3) Cl(1) F(1) -58(2) ? . . 8_555 .
Cl(1) Ca(3) Ca(2) Ca(3) -65.14(2) ? 8_555 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 82(4) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) P(1) -139(2) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) F(1) 41(2) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) O(1) -100.5(3) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) Cl(1) -13.50(6) ? 8_555 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 95(4) ? 8_555 . . 7_556
Cl(1) Ca(3) Ca(2) O(1) 122.9(7) ? 8_555 . . 6_555
Cl(1) Ca(3) Ca(2) O(1) -41(3) ? 8_555 . . 9_555
Cl(1) Ca(3) Ca(2) O(1) -178(3) ? 8_555 . . 10_555
Cl(1) Ca(3) Ca(2) O(2) -139(2) ? 8_555 . . 3_655
Ca(2) Ca(3) P(1) Ca(1) 146.976(5) ? . . . 2_655
Ca(2) Ca(3) P(1) Ca(1) -146.977(5) ? . . . 7_665
Ca(2) Ca(3) P(1) O(1) -85.15(3) ? . . . .
Ca(2) Ca(3) P(1) O(1) 85.15(3) ? . . . 10_555
P(1) Ca(3) Ca(2) Ca(3) 74(2) ? . . . 2_554
P(1) Ca(3) Ca(2) Cl(1) -139(2) ? . . . .
P(1) Ca(3) Ca(2) O(1) 38.6(17) ? . . . .
P(1) Ca(3) Ca(2) Cl(1) 125.6(19) ? . . . 2_554
P(1) Ca(3) Ca(2) Cl(1) -125.6(19) ? . . . 7_556
P(1) Ca(3) Ca(2) Cl(1) 139(2) ? . . . 8_555
P(1) Ca(3) Ca(2) O(1) -98.0(12) ? . . . 6_555
P(1) Ca(3) Ca(2) O(1) 98.0(12) ? . . . 9_555
P(1) Ca(3) Ca(2) O(1) -38.6(17) ? . . . 10_555
Ca(2) Ca(3) F(1) Cl(1) -90.0 ? . . . .
Ca(2) Ca(3) F(1) Cl(1) 90.0 ? . . . 8_555
F(1) Ca(3) Ca(2) Ca(3) -106(2) ? . . . 2_554
F(1) Ca(3) Ca(2) Cl(1) 41(2) ? . . . .
F(1) Ca(3) Ca(2) O(1) -141.4(17) ? . . . .
F(1) Ca(3) Ca(2) Cl(1) -54.4(19) ? . . . 2_554
F(1) Ca(3) Ca(2) Cl(1) 54.4(19) ? . . . 7_556
F(1) Ca(3) Ca(2) Cl(1) -41(2) ? . . . 8_555
F(1) Ca(3) Ca(2) O(1) 82.0(12) ? . . . 6_555
F(1) Ca(3) Ca(2) O(1) -82.0(12) ? . . . 9_555
F(1) Ca(3) Ca(2) O(1) 141.4(17) ? . . . 10_555
Ca(2) Ca(3) O(1) Ca(1) 161(2) ? . . . 7_665
Ca(2) Ca(3) O(1) P(1) 69(2) ? . . . .
Ca(2) Ca(3) O(1) Ca(3) -91(2) ? . . . 2_554
Ca(2) Ca(3) O(1) Ca(2) -86(2) ? . . . 2_554
O(1) Ca(3) Ca(2) Ca(3) 35.4(3) ? . . . 2_554
O(1) Ca(3) Ca(2) Cl(1) -178(3) ? . . . .
O(1) Ca(3) Ca(2) P(1) -38.6(17) ? . . . .
O(1) Ca(3) Ca(2) F(1) 141.4(17) ? . . . .
O(1) Ca(3) Ca(2) Cl(1) 87.0(2) ? . . . 2_554
O(1) Ca(3) Ca(2) Cl(1) -164(3) ? . . . 7_556
O(1) Ca(3) Ca(2) Cl(1) 100.5(3) ? . . . 8_555
O(1) Ca(3) Ca(2) O(1) -136.6(4) ? . . . 6_555
O(1) Ca(3) Ca(2) O(1) 59(2) ? . . . 9_555
O(1) Ca(3) Ca(2) O(1) -77(3) ? . . . 10_555
O(1) Ca(3) Ca(2) O(2) -38.6(17) ? . . . 3_655
Ca(2) Ca(3) O(1) Ca(3) 62(3) ? . . 6_555 6_555
Ca(2) Ca(3) O(1) Ca(2) 58(3) ? . . 6_555 6_555
Ca(2) Ca(3) O(1) P(1) -86(3) ? . . 6_555 6_555
O(1) Ca(3) Ca(2) Ca(3) 172.0(7) ? 6_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) -41(3) ? 6_555 . . .
O(1) Ca(3) Ca(2) P(1) 98.0(12) ? 6_555 . . .
O(1) Ca(3) Ca(2) F(1) -82.0(12) ? 6_555 . . .
O(1) Ca(3) Ca(2) O(1) 136.6(4) ? 6_555 . . .
O(1) Ca(3) Ca(2) Cl(1) -136.4(7) ? 6_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) -28(3) ? 6_555 . . 7_556
O(1) Ca(3) Ca(2) Cl(1) -122.9(7) ? 6_555 . . 8_555
O(1) Ca(3) Ca(2) O(1) -164(2) ? 6_555 . . 9_555
O(1) Ca(3) Ca(2) O(1) 59(2) ? 6_555 . . 10_555
O(1) Ca(3) Ca(2) O(2) 98.0(12) ? 6_555 . . 3_655
O(1) Ca(3) Ca(2) Ca(3) -24(3) ? 9_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) 122.9(7) ? 9_555 . . .
O(1) Ca(3) Ca(2) P(1) -98.0(12) ? 9_555 . . .
O(1) Ca(3) Ca(2) F(1) 82.0(12) ? 9_555 . . .
O(1) Ca(3) Ca(2) O(1) -59(2) ? 9_555 . . .
O(1) Ca(3) Ca(2) Cl(1) 28(3) ? 9_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) 136.4(7) ? 9_555 . . 7_556
O(1) Ca(3) Ca(2) Cl(1) 41(3) ? 9_555 . . 8_555
O(1) Ca(3) Ca(2) O(1) 164(2) ? 9_555 . . 6_555
O(1) Ca(3) Ca(2) O(1) -136.6(4) ? 9_555 . . 10_555
O(1) Ca(3) Ca(2) O(2) -98.0(12) ? 9_555 . . 3_655
Ca(2) Ca(3) O(1) P(1) -69(2) ? . . 10_555 .
O(1) Ca(3) Ca(2) Ca(3) 112(3) ? 10_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) -100.5(3) ? 10_555 . . .
O(1) Ca(3) Ca(2) P(1) 38.6(17) ? 10_555 . . .
O(1) Ca(3) Ca(2) F(1) -141.4(17) ? 10_555 . . .
O(1) Ca(3) Ca(2) O(1) 77(3) ? 10_555 . . .
O(1) Ca(3) Ca(2) Cl(1) 164(3) ? 10_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) -87.0(2) ? 10_555 . . 7_556
O(1) Ca(3) Ca(2) Cl(1) 178(3) ? 10_555 . . 8_555
O(1) Ca(3) Ca(2) O(1) -59(2) ? 10_555 . . 6_555
O(1) Ca(3) Ca(2) O(1) 136.6(4) ? 10_555 . . 9_555
O(1) Ca(3) Ca(2) O(2) 38.6(17) ? 10_555 . . 3_655
Ca(2) Ca(3) O(2) Ca(1) 50.50(2) ? . . 3_655 2_655
Ca(2) Ca(3) O(2) Ca(1) -50.51(2) ? . . 3_655 7_665
O(2) Ca(3) Ca(2) Ca(3) 74(2) ? 3_655 . . 2_554
O(2) Ca(3) Ca(2) Cl(1) -139(2) ? 3_655 . . .
O(2) Ca(3) Ca(2) O(1) 38.6(17) ? 3_655 . . .
O(2) Ca(3) Ca(2) Cl(1) 125.6(19) ? 3_655 . . 2_554
O(2) Ca(3) Ca(2) Cl(1) -125.6(19) ? 3_655 . . 7_556
O(2) Ca(3) Ca(2) Cl(1) 139(2) ? 3_655 . . 8_555
O(2) Ca(3) Ca(2) O(1) -98.0(12) ? 3_655 . . 6_555
O(2) Ca(3) Ca(2) O(1) 98.0(12) ? 3_655 . . 9_555
O(2) Ca(3) Ca(2) O(1) -38.6(17) ? 3_655 . . 10_555
O(3) Ca(3) Ca(2) Ca(3) -106(2) ? 5_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) 41(2) ? 5_555 . . .
O(3) Ca(3) Ca(2) O(1) -141.4(17) ? 5_555 . . .
O(3) Ca(3) Ca(2) Cl(1) -54.4(19) ? 5_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) 54.4(19) ? 5_555 . . 7_556
O(3) Ca(3) Ca(2) Cl(1) -41(2) ? 5_555 . . 8_555
O(3) Ca(3) Ca(2) O(1) 82.0(12) ? 5_555 . . 6_555
O(3) Ca(3) Ca(2) O(1) -82.0(12) ? 5_555 . . 9_555
O(3) Ca(3) Ca(2) O(1) 141.4(17) ? 5_555 . . 10_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.91(2) ? . . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.91(3) ? . . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.76(3) ? . . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 128.9(3) ? . . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 49(3) ? . . 2_554 .
Cl(1) Ca(3) Cl(1) Ca(2) 39.01(19) ? . . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -42.3(3) ? . . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -138.41(2) ? 2_554 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -51.34(2) ? 2_554 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 51.34(3) ? 2_554 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 138.41(2) ? 2_554 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -58(2) ? 2_554 . . .
Cl(1) Ca(3) Cl(1) Ca(2) -138.5(2) ? 2_554 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -48.4(2) ? 2_554 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 171.2(11) ? 2_554 . . 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 51.7(3) ? 2_554 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 141.3(2) ? 2_554 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(3) -129.76(3) ? . . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.91(2) ? . . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.91(3) ? . . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.76(2) ? . . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -49(3) ? . . 7_556 .
Cl(1) Ca(3) Cl(1) Ca(2) -128.9(3) ? . . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -39.01(19) ? . . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 13.3(19) ? . . 7_556 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 42.3(3) ? . . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 132.7(2) ? . . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.59(2) ? 7_556 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(3) 128.66(2) ? 7_556 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -128.66(3) ? 7_556 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.59(2) ? 7_556 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(2) 122(2) ? 7_556 . . .
Cl(1) Ca(3) Cl(1) Ca(2) 41.5(2) ? 7_556 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(2) 131.6(2) ? 7_556 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -8.8(11) ? 7_556 . . 4_555
Cl(1) Ca(3) Cl(1) Ca(2) -128.3(3) ? 7_556 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) -38.7(2) ? 7_556 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(3) 51.34(2) ? . . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -51.34(3) ? . . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 58(2) ? . . 8_555 .
Cl(1) Ca(3) Cl(1) Ca(2) 48.4(2) ? . . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -51.7(3) ? . . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -138.41(2) ? 8_555 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -51.34(2) ? 8_555 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 51.34(3) ? 8_555 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 138.41(2) ? 8_555 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -58(2) ? 8_555 . . .
Cl(1) Ca(3) Cl(1) Ca(2) -138.5(2) ? 8_555 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -48.4(2) ? 8_555 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 171.2(11) ? 8_555 . . 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 51.7(3) ? 8_555 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 141.3(2) ? 8_555 . . 6_555
Cl(1) Ca(3) P(1) Ca(1) 119.316(16) ? . . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -174.64(2) ? . . . 7_665
Cl(1) Ca(3) P(1) Ca(2) -27.660(17) ? . . . .
Cl(1) Ca(3) P(1) O(1) -112.81(4) ? . . . .
Cl(1) Ca(3) P(1) O(2) 152.340(17) ? . . . .
Cl(1) Ca(3) P(1) O(3) -27.660(17) ? . . . .
Cl(1) Ca(3) P(1) O(1) 57.49(3) ? . . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -51.39(2) ? . . . 2_555
P(1) Ca(3) Cl(1) Ca(3) 35.69(2) ? . . . 3_555
P(1) Ca(3) Cl(1) Ca(3) -92.97(17) ? . . . 4_555
P(1) Ca(3) Cl(1) Ca(3) 138.36(3) ? . . . 5_555
P(1) Ca(3) Cl(1) Ca(3) -134.56(2) ? . . . 6_555
P(1) Ca(3) Cl(1) Ca(2) 29(2) ? . . . .
P(1) Ca(3) Cl(1) F(1) 87.03(2) ? . . . .
P(1) Ca(3) Cl(1) Ca(2) -51.4(2) ? . . . 2_555
P(1) Ca(3) Cl(1) Ca(2) 38.6(2) ? . . . 3_555
P(1) Ca(3) Cl(1) Ca(2) -101.7(11) ? . . . 4_555
P(1) Ca(3) Cl(1) Ca(2) 138.7(3) ? . . . 5_555
P(1) Ca(3) Cl(1) Ca(2) -131.7(2) ? . . . 6_555
P(1) Ca(3) Cl(1) Cl(1) -92.97(2) ? . . . 7_556
Cl(1) Ca(3) F(1) Ca(3) 90.0 ? . . . 3_555
Cl(1) Ca(3) F(1) Ca(3) -90.0 ? . . . 5_555
Cl(1) Ca(3) F(1) Ca(2) 90.0 ? . . . .
Cl(1) Ca(3) F(1) Ca(2) 90.0 ? . . . 3_555
Cl(1) Ca(3) F(1) Ca(2) -90.0 ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(3) -138.41(2) ? . . . 2_555
F(1) Ca(3) Cl(1) Ca(3) -51.34(2) ? . . . 3_555
F(1) Ca(3) Cl(1) Ca(3) 51.34(3) ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(3) 138.41(2) ? . . . 6_555
F(1) Ca(3) Cl(1) Ca(2) -58(2) ? . . . .
F(1) Ca(3) Cl(1) Ca(2) -138.5(2) ? . . . 2_555
F(1) Ca(3) Cl(1) Ca(2) -48.4(2) ? . . . 3_555
F(1) Ca(3) Cl(1) Ca(2) 171.2(11) ? . . . 4_555
F(1) Ca(3) Cl(1) Ca(2) 51.7(3) ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(2) 141.3(2) ? . . . 6_555
Cl(1) Ca(3) O(1) Ca(1) 159.31(2) ? . . . 7_665
Cl(1) Ca(3) O(1) Ca(2) -2(2) ? . . . .
Cl(1) Ca(3) O(1) P(1) 67.22(3) ? . . . .
Cl(1) Ca(3) O(1) Ca(3) -92.53(5) ? . . . 2_554
Cl(1) Ca(3) O(1) Ca(2) -88.2(4) ? . . . 2_554
O(1) Ca(3) Cl(1) Ca(3) -78.16(3) ? . . . 2_555
O(1) Ca(3) Cl(1) Ca(3) 8.92(2) ? . . . 3_555
O(1) Ca(3) Cl(1) Ca(3) -119.75(16) ? . . . 4_555
O(1) Ca(3) Cl(1) Ca(3) 111.59(3) ? . . . 5_555
O(1) Ca(3) Cl(1) Ca(3) -161.33(2) ? . . . 6_555
O(1) Ca(3) Cl(1) Ca(2) 2(2) ? . . . .
O(1) Ca(3) Cl(1) F(1) 60.254(16) ? . . . .
O(1) Ca(3) Cl(1) Ca(2) -78.2(2) ? . . . 2_555
O(1) Ca(3) Cl(1) Ca(2) 11.8(2) ? . . . 3_555
O(1) Ca(3) Cl(1) Ca(2) -128.5(11) ? . . . 4_555
O(1) Ca(3) Cl(1) Ca(2) 112.0(3) ? . . . 5_555
O(1) Ca(3) Cl(1) Ca(2) -158.5(2) ? . . . 6_555
O(1) Ca(3) Cl(1) Cl(1) -119.746(16) ? . . . 7_556
Cl(1) Ca(3) O(1) Ca(3) 33.41(6) ? . . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) 29.2(5) ? . . 6_555 6_555
Cl(1) Ca(3) O(1) P(1) -114.63(7) ? . . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) -28(3) ? . . 6_555 .
O(1) Ca(3) Cl(1) Ca(3) 60.88(3) ? 6_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(3) 147.96(3) ? 6_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(3) 19.30(19) ? 6_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(3) -109.36(3) ? 6_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(3) -22.29(3) ? 6_555 . . 6_555
O(1) Ca(3) Cl(1) Ca(2) 141(2) ? 6_555 . . .
O(1) Ca(3) Cl(1) F(1) -160.70(4) ? 6_555 . . .
O(1) Ca(3) Cl(1) Ca(2) 60.8(2) ? 6_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(2) 150.9(2) ? 6_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(2) 10.5(11) ? 6_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(2) -109.0(3) ? 6_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) -19.4(2) ? 6_555 . . 6_555
O(1) Ca(3) Cl(1) Cl(1) 19.30(4) ? 6_555 . . 7_556
Cl(1) Ca(3) O(1) Ca(2) 49(3) ? . . 9_555 .
O(1) Ca(3) Cl(1) Ca(3) -162.36(7) ? 9_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(3) -75.29(7) ? 9_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(3) 156.05(13) ? 9_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(3) 27.39(8) ? 9_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(3) 114.46(7) ? 9_555 . . 6_555
O(1) Ca(3) Cl(1) Ca(2) -82(2) ? 9_555 . . .
O(1) Ca(3) Cl(1) F(1) -23.95(5) ? 9_555 . . .
O(1) Ca(3) Cl(1) Ca(2) -162.4(3) ? 9_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(2) -72.4(2) ? 9_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(2) 147.3(11) ? 9_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(2) 27.8(3) ? 9_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) 117.3(2) ? 9_555 . . 6_555
O(1) Ca(3) Cl(1) Cl(1) 156.05(5) ? 9_555 . . 7_556
Cl(1) Ca(3) O(1) Ca(2) -48(2) ? . . 10_555 .
Cl(1) Ca(3) O(1) P(1) -116.54(3) ? . . 10_555 .
O(1) Ca(3) Cl(1) Ca(3) -25.47(3) ? 10_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(3) 61.61(2) ? 10_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(3) -67.05(18) ? 10_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(3) 164.28(3) ? 10_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(3) -108.64(2) ? 10_555 . . 6_555
O(1) Ca(3) Cl(1) Ca(2) 55(2) ? 10_555 . . .
O(1) Ca(3) Cl(1) F(1) 112.95(3) ? 10_555 . . .
O(1) Ca(3) Cl(1) Ca(2) -25.5(2) ? 10_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(2) 64.5(2) ? 10_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(2) -75.8(11) ? 10_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(2) 164.7(3) ? 10_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) -105.8(2) ? 10_555 . . 6_555
O(1) Ca(3) Cl(1) Cl(1) -67.05(3) ? 10_555 . . 7_556
Cl(1) Ca(3) O(2) Ca(1) 0.96(11) ? . . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -100.05(7) ? . . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) 130.46(9) ? . . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) -49.54(9) ? . . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) -5.44(9) ? 3_655 . . 2_555
O(2) Ca(3) Cl(1) Ca(3) 81.64(9) ? 3_655 . . 3_555
O(2) Ca(3) Cl(1) Ca(3) -47.0(2) ? 3_655 . . 4_555
O(2) Ca(3) Cl(1) Ca(3) -175.69(9) ? 3_655 . . 5_555
O(2) Ca(3) Cl(1) Ca(3) -88.61(9) ? 3_655 . . 6_555
O(2) Ca(3) Cl(1) Ca(2) 75(2) ? 3_655 . . .
O(2) Ca(3) Cl(1) F(1) 132.98(10) ? 3_655 . . .
O(2) Ca(3) Cl(1) Ca(2) -5.5(3) ? 3_655 . . 2_555
O(2) Ca(3) Cl(1) Ca(2) 84.5(2) ? 3_655 . . 3_555
O(2) Ca(3) Cl(1) Ca(2) -55.8(12) ? 3_655 . . 4_555
O(2) Ca(3) Cl(1) Ca(2) -175.3(3) ? 3_655 . . 5_555
O(2) Ca(3) Cl(1) Ca(2) -85.8(2) ? 3_655 . . 6_555
O(2) Ca(3) Cl(1) Cl(1) -47.02(10) ? 3_655 . . 7_556
Cl(1) Ca(3) O(3) P(1) 27.968(19) ? . . 5_555 5_555
O(3) Ca(3) Cl(1) Ca(3) 126.35(2) ? 5_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(3) -146.57(2) ? 5_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(3) 84.77(17) ? 5_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(3) -43.90(3) ? 5_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(3) 43.18(2) ? 5_555 . . 6_555
O(3) Ca(3) Cl(1) Ca(2) -154(2) ? 5_555 . . .
O(3) Ca(3) Cl(1) F(1) -95.234(16) ? 5_555 . . .
O(3) Ca(3) Cl(1) Ca(2) 126.3(2) ? 5_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(2) -143.7(2) ? 5_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(2) 76.0(11) ? 5_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(2) -43.5(3) ? 5_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) 46.0(2) ? 5_555 . . 6_555
O(3) Ca(3) Cl(1) Cl(1) 84.766(16) ? 5_555 . . 7_556
Cl(1) Ca(3) Cl(1) Ca(3) -129.76(3) ? 2_554 . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.91(2) ? 2_554 . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.91(3) ? 2_554 . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.76(2) ? 2_554 . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -49(3) ? 2_554 . 7_556 .
Cl(1) Ca(3) Cl(1) Ca(2) -128.9(3) ? 2_554 . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -39.01(19) ? 2_554 . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 13.3(19) ? 2_554 . 7_556 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 42.3(3) ? 2_554 . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 132.7(2) ? 2_554 . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.91(2) ? 7_556 . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.91(3) ? 7_556 . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.76(3) ? 7_556 . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 128.9(3) ? 7_556 . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 49(3) ? 7_556 . 2_554 .
Cl(1) Ca(3) Cl(1) Ca(2) 39.01(19) ? 7_556 . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -42.3(3) ? 7_556 . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -128.66(2) ? 2_554 . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 128.66(3) ? 2_554 . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(2) -122(2) ? 2_554 . 8_555 .
Cl(1) Ca(3) Cl(1) Ca(2) -131.6(2) ? 2_554 . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 128.3(3) ? 2_554 . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.91(2) ? 8_555 . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.91(3) ? 8_555 . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.76(3) ? 8_555 . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 128.9(3) ? 8_555 . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 49(3) ? 8_555 . 2_554 .
Cl(1) Ca(3) Cl(1) Ca(2) 39.01(19) ? 8_555 . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -42.3(3) ? 8_555 . 2_554 5_555
Cl(1) Ca(3) P(1) Ca(1) -172.819(19) ? 2_554 . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -106.773(15) ? 2_554 . . 7_665
Cl(1) Ca(3) P(1) Ca(2) 40.205(16) ? 2_554 . . .
Cl(1) Ca(3) P(1) O(1) -44.94(3) ? 2_554 . . .
Cl(1) Ca(3) P(1) O(2) -139.795(16) ? 2_554 . . .
Cl(1) Ca(3) P(1) O(3) 40.205(16) ? 2_554 . . .
Cl(1) Ca(3) P(1) O(1) 125.35(4) ? 2_554 . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -43.95(2) ? . . 2_554 3_555
P(1) Ca(3) Cl(1) Ca(3) -127.78(3) ? . . 2_554 5_555
P(1) Ca(3) Cl(1) Ca(3) 43.89(3) ? . . 2_554 2_554
P(1) Ca(3) Cl(1) Ca(2) 43.0(3) ? . . 2_554 2_554
P(1) Ca(3) Cl(1) F(1) 94.13(3) ? . . 2_554 2_554
P(1) Ca(3) Cl(1) Ca(2) -36(3) ? . . 2_554 .
P(1) Ca(3) Cl(1) Ca(2) -46.86(19) ? . . 2_554 3_555
P(1) Ca(3) Cl(1) Ca(2) -128.2(3) ? . . 2_554 5_555
Cl(1) Ca(3) F(1) Ca(3) -90.0 ? 2_554 . . 3_555
Cl(1) Ca(3) F(1) Ca(3) 90.0 ? 2_554 . . 5_555
Cl(1) Ca(3) F(1) Ca(2) -90.0 ? 2_554 . . .
Cl(1) Ca(3) F(1) Ca(2) -90.0 ? 2_554 . . 3_555
Cl(1) Ca(3) F(1) Ca(2) 90.0 ? 2_554 . . 5_555
F(1) Ca(3) Cl(1) Ca(3) 41.91(2) ? . . 2_554 3_555
F(1) Ca(3) Cl(1) Ca(3) -41.91(3) ? . . 2_554 5_555
F(1) Ca(3) Cl(1) Ca(3) 129.76(3) ? . . 2_554 2_554
F(1) Ca(3) Cl(1) Ca(2) 128.9(3) ? . . 2_554 2_554
F(1) Ca(3) Cl(1) Ca(2) 49(3) ? . . 2_554 .
F(1) Ca(3) Cl(1) Ca(2) 39.01(19) ? . . 2_554 3_555
F(1) Ca(3) Cl(1) Ca(2) -42.3(3) ? . . 2_554 5_555
Cl(1) Ca(3) O(1) Ca(1) -138.68(2) ? 2_554 . . 7_665
Cl(1) Ca(3) O(1) Ca(2) 60(2) ? 2_554 . . .
Cl(1) Ca(3) O(1) P(1) 129.23(3) ? 2_554 . . .
Cl(1) Ca(3) O(1) Ca(3) -30.52(5) ? 2_554 . . 2_554
Cl(1) Ca(3) O(1) Ca(2) -26.1(4) ? 2_554 . . 2_554
O(1) Ca(3) Cl(1) Ca(3) -66.16(2) ? . . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(3) -149.99(3) ? . . 2_554 5_555
O(1) Ca(3) Cl(1) Ca(3) 21.68(3) ? . . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) 20.8(3) ? . . 2_554 2_554
O(1) Ca(3) Cl(1) F(1) 71.93(4) ? . . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) -59(3) ? . . 2_554 .
O(1) Ca(3) Cl(1) Ca(2) -69.1(2) ? . . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(2) -150.4(3) ? . . 2_554 5_555
Cl(1) Ca(3) O(1) Ca(3) 5.66(12) ? 2_554 . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) 1.5(5) ? 2_554 . 6_555 6_555
Cl(1) Ca(3) O(1) P(1) -142.37(6) ? 2_554 . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) -56(3) ? 2_554 . 6_555 .
O(1) Ca(3) Cl(1) Ca(3) 71.19(9) ? 6_555 . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(3) -12.64(9) ? 6_555 . 2_554 5_555
O(1) Ca(3) Cl(1) Ca(3) 159.03(9) ? 6_555 . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) 158.2(3) ? 6_555 . 2_554 2_554
O(1) Ca(3) Cl(1) F(1) -150.73(7) ? 6_555 . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) 79(3) ? 6_555 . 2_554 .
O(1) Ca(3) Cl(1) Ca(2) 68.3(2) ? 6_555 . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(2) -13.0(3) ? 6_555 . 2_554 5_555
Cl(1) Ca(3) O(1) Ca(2) 24(3) ? 2_554 . 9_555 .
O(1) Ca(3) Cl(1) Ca(3) -158.94(3) ? 9_555 . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(3) 117.23(3) ? 9_555 . 2_554 5_555
O(1) Ca(3) Cl(1) Ca(3) -71.10(3) ? 9_555 . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) -72.0(3) ? 9_555 . 2_554 2_554
O(1) Ca(3) Cl(1) F(1) -20.85(4) ? 9_555 . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) -151(3) ? 9_555 . 2_554 .
O(1) Ca(3) Cl(1) Ca(2) -161.8(2) ? 9_555 . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(2) 116.9(3) ? 9_555 . 2_554 5_555
Cl(1) Ca(3) O(1) Ca(2) 13(2) ? 2_554 . 10_555 .
Cl(1) Ca(3) O(1) P(1) -56.13(3) ? 2_554 . 10_555 .
O(1) Ca(3) Cl(1) Ca(3) -20.05(2) ? 10_555 . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(3) -103.88(3) ? 10_555 . 2_554 5_555
O(1) Ca(3) Cl(1) Ca(3) 67.79(3) ? 10_555 . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) 66.9(3) ? 10_555 . 2_554 2_554
O(1) Ca(3) Cl(1) F(1) 118.04(2) ? 10_555 . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) -13(3) ? 10_555 . 2_554 .
O(1) Ca(3) Cl(1) Ca(2) -22.96(19) ? 10_555 . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(2) -104.3(3) ? 10_555 . 2_554 5_555
Cl(1) Ca(3) O(2) Ca(1) 112.63(5) ? 2_554 . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) 11.62(9) ? 2_554 . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) -117.87(7) ? 2_554 . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) 62.13(7) ? 2_554 . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) -100.46(8) ? 3_655 . 2_554 3_555
O(2) Ca(3) Cl(1) Ca(3) 175.71(8) ? 3_655 . 2_554 5_555
O(2) Ca(3) Cl(1) Ca(3) -12.62(8) ? 3_655 . 2_554 2_554
O(2) Ca(3) Cl(1) Ca(2) -13.5(3) ? 3_655 . 2_554 2_554
O(2) Ca(3) Cl(1) F(1) 37.63(10) ? 3_655 . 2_554 2_554
O(2) Ca(3) Cl(1) Ca(2) -93(3) ? 3_655 . 2_554 .
O(2) Ca(3) Cl(1) Ca(2) -103.4(2) ? 3_655 . 2_554 3_555
O(2) Ca(3) Cl(1) Ca(2) 175.3(3) ? 3_655 . 2_554 5_555
Cl(1) Ca(3) O(3) P(1) -40.573(19) ? 2_554 . 5_555 5_555
O(3) Ca(3) Cl(1) Ca(3) 139.18(2) ? 5_555 . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(3) 55.35(3) ? 5_555 . 2_554 5_555
O(3) Ca(3) Cl(1) Ca(3) -132.98(3) ? 5_555 . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) -133.8(3) ? 5_555 . 2_554 2_554
O(3) Ca(3) Cl(1) F(1) -82.73(2) ? 5_555 . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) 147(3) ? 5_555 . 2_554 .
O(3) Ca(3) Cl(1) Ca(2) 136.28(19) ? 5_555 . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(2) 55.0(3) ? 5_555 . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 51.34(2) ? 7_556 . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -51.34(3) ? 7_556 . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 58(2) ? 7_556 . 8_555 .
Cl(1) Ca(3) Cl(1) Ca(2) 48.4(2) ? 7_556 . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -51.7(3) ? 7_556 . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -129.76(3) ? 8_555 . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.91(2) ? 8_555 . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.91(3) ? 8_555 . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.76(2) ? 8_555 . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -49(3) ? 8_555 . 7_556 .
Cl(1) Ca(3) Cl(1) Ca(2) -128.9(3) ? 8_555 . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -39.01(19) ? 8_555 . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 13.3(19) ? 8_555 . 7_556 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 42.3(3) ? 8_555 . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 132.7(2) ? 8_555 . 7_556 6_555
Cl(1) Ca(3) P(1) Ca(1) 106.772(15) ? 7_556 . . 2_655
Cl(1) Ca(3) P(1) Ca(1) 172.818(19) ? 7_556 . . 7_665
Cl(1) Ca(3) P(1) Ca(2) -40.205(16) ? 7_556 . . .
Cl(1) Ca(3) P(1) O(1) -125.35(4) ? 7_556 . . .
Cl(1) Ca(3) P(1) O(2) 139.795(16) ? 7_556 . . .
Cl(1) Ca(3) P(1) O(3) -40.205(16) ? 7_556 . . .
Cl(1) Ca(3) P(1) O(1) 44.94(3) ? 7_556 . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -43.89(3) ? . . 7_556 2_555
P(1) Ca(3) Cl(1) Ca(3) 43.95(2) ? . . 7_556 3_555
P(1) Ca(3) Cl(1) Ca(3) 85.87(17) ? . . 7_556 4_555
P(1) Ca(3) Cl(1) Ca(3) 127.78(3) ? . . 7_556 5_555
P(1) Ca(3) Cl(1) Ca(3) -144.38(2) ? . . 7_556 6_555
P(1) Ca(3) Cl(1) Ca(2) 36(3) ? . . 7_556 .
P(1) Ca(3) Cl(1) Ca(2) -43.0(3) ? . . 7_556 2_555
P(1) Ca(3) Cl(1) Ca(2) 46.86(19) ? . . 7_556 3_555
P(1) Ca(3) Cl(1) Ca(2) 99.2(19) ? . . 7_556 4_555
P(1) Ca(3) Cl(1) Ca(2) 128.2(3) ? . . 7_556 5_555
P(1) Ca(3) Cl(1) Ca(2) -141.4(2) ? . . 7_556 6_555
P(1) Ca(3) Cl(1) Cl(1) 85.87(3) ? . . 7_556 .
P(1) Ca(3) Cl(1) F(1) -94.13(3) ? . . 7_556 2_555
Cl(1) Ca(3) F(1) Ca(3) 90.0 ? 7_556 . . 3_555
Cl(1) Ca(3) F(1) Ca(3) -90.0 ? 7_556 . . 5_555
Cl(1) Ca(3) F(1) Ca(2) 90.0 ? 7_556 . . .
Cl(1) Ca(3) F(1) Ca(2) 90.0 ? 7_556 . . 3_555
Cl(1) Ca(3) F(1) Ca(2) -90.0 ? 7_556 . . 5_555
F(1) Ca(3) Cl(1) Ca(3) -129.76(3) ? . . 7_556 2_555
F(1) Ca(3) Cl(1) Ca(3) -41.91(2) ? . . 7_556 3_555
F(1) Ca(3) Cl(1) Ca(3) 41.91(3) ? . . 7_556 5_555
F(1) Ca(3) Cl(1) Ca(3) 129.76(2) ? . . 7_556 6_555
F(1) Ca(3) Cl(1) Ca(2) -49(3) ? . . 7_556 .
F(1) Ca(3) Cl(1) Ca(2) -128.9(3) ? . . 7_556 2_555
F(1) Ca(3) Cl(1) Ca(2) -39.01(19) ? . . 7_556 3_555
F(1) Ca(3) Cl(1) Ca(2) 13.3(19) ? . . 7_556 4_555
F(1) Ca(3) Cl(1) Ca(2) 42.3(3) ? . . 7_556 5_555
F(1) Ca(3) Cl(1) Ca(2) 132.7(2) ? . . 7_556 6_555
Cl(1) Ca(3) O(1) Ca(1) 148.23(2) ? 7_556 . . 7_665
Cl(1) Ca(3) O(1) Ca(2) -13(2) ? 7_556 . . .
Cl(1) Ca(3) O(1) P(1) 56.13(3) ? 7_556 . . .
Cl(1) Ca(3) O(1) Ca(3) -103.62(4) ? 7_556 . . 2_554
Cl(1) Ca(3) O(1) Ca(2) -99.2(4) ? 7_556 . . 2_554
O(1) Ca(3) Cl(1) Ca(3) -67.79(3) ? . . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(3) 20.05(2) ? . . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(3) 61.96(18) ? . . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(3) 103.88(3) ? . . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(3) -168.28(2) ? . . 7_556 6_555
O(1) Ca(3) Cl(1) Ca(2) 13(3) ? . . 7_556 .
O(1) Ca(3) Cl(1) Ca(2) -66.9(3) ? . . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(2) 22.96(19) ? . . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(2) 75.3(19) ? . . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(2) 104.3(3) ? . . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(2) -165.3(2) ? . . 7_556 6_555
O(1) Ca(3) Cl(1) Cl(1) 61.96(2) ? . . 7_556 .
O(1) Ca(3) Cl(1) F(1) -118.04(2) ? . . 7_556 2_555
Cl(1) Ca(3) O(1) Ca(3) 37.97(5) ? 7_556 . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) 33.8(4) ? 7_556 . 6_555 6_555
Cl(1) Ca(3) O(1) P(1) -110.07(7) ? 7_556 . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) -24(3) ? 7_556 . 6_555 .
O(1) Ca(3) Cl(1) Ca(3) 71.10(3) ? 6_555 . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(3) 158.94(3) ? 6_555 . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(3) -159.15(16) ? 6_555 . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(3) -117.23(3) ? 6_555 . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(3) -29.39(3) ? 6_555 . 7_556 6_555
O(1) Ca(3) Cl(1) Ca(2) 151(3) ? 6_555 . 7_556 .
O(1) Ca(3) Cl(1) Ca(2) 72.0(3) ? 6_555 . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(2) 161.8(2) ? 6_555 . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(2) -145.8(19) ? 6_555 . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(2) -116.9(3) ? 6_555 . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(2) -26.4(2) ? 6_555 . 7_556 6_555
O(1) Ca(3) Cl(1) Cl(1) -159.15(4) ? 6_555 . 7_556 .
O(1) Ca(3) Cl(1) F(1) 20.85(4) ? 6_555 . 7_556 2_555
Cl(1) Ca(3) O(1) Ca(2) 56(3) ? 7_556 . 9_555 .
O(1) Ca(3) Cl(1) Ca(3) -159.03(9) ? 9_555 . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(3) -71.19(9) ? 9_555 . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(3) -29.3(2) ? 9_555 . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(3) 12.64(9) ? 9_555 . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(3) 100.48(9) ? 9_555 . 7_556 6_555
O(1) Ca(3) Cl(1) Ca(2) -79(3) ? 9_555 . 7_556 .
O(1) Ca(3) Cl(1) Ca(2) -158.2(3) ? 9_555 . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(2) -68.3(2) ? 9_555 . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(2) -16(2) ? 9_555 . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(2) 13.0(3) ? 9_555 . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(2) 103.5(2) ? 9_555 . 7_556 6_555
O(1) Ca(3) Cl(1) Cl(1) -29.27(7) ? 9_555 . 7_556 .
O(1) Ca(3) Cl(1) F(1) 150.73(7) ? 9_555 . 7_556 2_555
Cl(1) Ca(3) O(1) Ca(2) -60(2) ? 7_556 . 10_555 .
Cl(1) Ca(3) O(1) P(1) -129.23(3) ? 7_556 . 10_555 .
O(1) Ca(3) Cl(1) Ca(3) -21.68(3) ? 10_555 . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(3) 66.16(2) ? 10_555 . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(3) 108.07(16) ? 10_555 . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(3) 149.99(3) ? 10_555 . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(3) -122.17(3) ? 10_555 . 7_556 6_555
O(1) Ca(3) Cl(1) Ca(2) 59(3) ? 10_555 . 7_556 .
O(1) Ca(3) Cl(1) Ca(2) -20.8(3) ? 10_555 . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(2) 69.1(2) ? 10_555 . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(2) 121.4(19) ? 10_555 . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(2) 150.4(3) ? 10_555 . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(2) -119.2(2) ? 10_555 . 7_556 6_555
O(1) Ca(3) Cl(1) Cl(1) 108.07(4) ? 10_555 . 7_556 .
O(1) Ca(3) Cl(1) F(1) -71.93(4) ? 10_555 . 7_556 2_555
Cl(1) Ca(3) O(2) Ca(1) -11.62(9) ? 7_556 . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -112.63(5) ? 7_556 . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) 117.87(7) ? 7_556 . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) -62.13(7) ? 7_556 . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) 12.62(8) ? 3_655 . 7_556 2_555
O(2) Ca(3) Cl(1) Ca(3) 100.46(8) ? 3_655 . 7_556 3_555
O(2) Ca(3) Cl(1) Ca(3) 142.37(14) ? 3_655 . 7_556 4_555
O(2) Ca(3) Cl(1) Ca(3) -175.71(8) ? 3_655 . 7_556 5_555
O(2) Ca(3) Cl(1) Ca(3) -87.87(8) ? 3_655 . 7_556 6_555
O(2) Ca(3) Cl(1) Ca(2) 93(3) ? 3_655 . 7_556 .
O(2) Ca(3) Cl(1) Ca(2) 13.5(3) ? 3_655 . 7_556 2_555
O(2) Ca(3) Cl(1) Ca(2) 103.4(2) ? 3_655 . 7_556 3_555
O(2) Ca(3) Cl(1) Ca(2) 155.7(19) ? 3_655 . 7_556 4_555
O(2) Ca(3) Cl(1) Ca(2) -175.3(3) ? 3_655 . 7_556 5_555
O(2) Ca(3) Cl(1) Ca(2) -84.9(2) ? 3_655 . 7_556 6_555
O(2) Ca(3) Cl(1) Cl(1) 142.37(10) ? 3_655 . 7_556 .
O(2) Ca(3) Cl(1) F(1) -37.63(10) ? 3_655 . 7_556 2_555
Cl(1) Ca(3) O(3) P(1) 40.573(19) ? 7_556 . 5_555 5_555
O(3) Ca(3) Cl(1) Ca(3) 132.98(3) ? 5_555 . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(3) -139.18(2) ? 5_555 . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(3) -97.27(18) ? 5_555 . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(3) -55.35(3) ? 5_555 . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(3) 32.49(2) ? 5_555 . 7_556 6_555
O(3) Ca(3) Cl(1) Ca(2) -147(3) ? 5_555 . 7_556 .
O(3) Ca(3) Cl(1) Ca(2) 133.8(3) ? 5_555 . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(2) -136.28(19) ? 5_555 . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(2) -83.9(19) ? 5_555 . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(2) -55.0(3) ? 5_555 . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(2) 35.5(2) ? 5_555 . 7_556 6_555
O(3) Ca(3) Cl(1) Cl(1) -97.27(2) ? 5_555 . 7_556 .
O(3) Ca(3) Cl(1) F(1) 82.73(2) ? 5_555 . 7_556 2_555
Cl(1) Ca(3) P(1) Ca(1) 174.64(2) ? 8_555 . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -119.317(16) ? 8_555 . . 7_665
Cl(1) Ca(3) P(1) Ca(2) 27.660(17) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(1) -57.49(3) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(2) -152.340(17) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(3) 27.660(17) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(1) 112.81(4) ? 8_555 . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -35.69(2) ? . . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(3) -138.36(3) ? . . 8_555 5_555
P(1) Ca(3) Cl(1) Ca(2) -29(2) ? . . 8_555 .
P(1) Ca(3) Cl(1) Ca(2) -38.6(2) ? . . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(2) -138.7(3) ? . . 8_555 5_555
P(1) Ca(3) Cl(1) F(1) -87.03(2) ? . . 8_555 .
Cl(1) Ca(3) F(1) Ca(3) -90.0 ? 8_555 . . 3_555
Cl(1) Ca(3) F(1) Ca(3) 90.0 ? 8_555 . . 5_555
Cl(1) Ca(3) F(1) Ca(2) -90.0 ? 8_555 . . .
Cl(1) Ca(3) F(1) Ca(2) -90.0 ? 8_555 . . 3_555
Cl(1) Ca(3) F(1) Ca(2) 90.0 ? 8_555 . . 5_555
F(1) Ca(3) Cl(1) Ca(3) 51.34(2) ? . . 8_555 3_555
F(1) Ca(3) Cl(1) Ca(3) -51.34(3) ? . . 8_555 5_555
F(1) Ca(3) Cl(1) Ca(2) 58(2) ? . . 8_555 .
F(1) Ca(3) Cl(1) Ca(2) 48.4(2) ? . . 8_555 3_555
F(1) Ca(3) Cl(1) Ca(2) -51.7(3) ? . . 8_555 5_555
Cl(1) Ca(3) O(1) Ca(1) -151.36(2) ? 8_555 . . 7_665
Cl(1) Ca(3) O(1) Ca(2) 48(2) ? 8_555 . . .
Cl(1) Ca(3) O(1) P(1) 116.54(3) ? 8_555 . . .
Cl(1) Ca(3) O(1) Ca(3) -43.21(5) ? 8_555 . . 2_554
Cl(1) Ca(3) O(1) Ca(2) -38.8(4) ? 8_555 . . 2_554
O(1) Ca(3) Cl(1) Ca(3) -61.61(2) ? . . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) -164.28(3) ? . . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) -55(2) ? . . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) -64.5(2) ? . . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) -164.7(3) ? . . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) -112.95(3) ? . . 8_555 .
Cl(1) Ca(3) O(1) Ca(3) 13.37(10) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) 9.2(5) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(1) P(1) -134.67(6) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) -49(3) ? 8_555 . 6_555 .
O(1) Ca(3) Cl(1) Ca(3) 75.29(7) ? 6_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) -27.39(8) ? 6_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) 82(2) ? 6_555 . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) 72.4(2) ? 6_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) -27.8(3) ? 6_555 . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) 23.95(5) ? 6_555 . 8_555 .
Cl(1) Ca(3) O(1) Ca(2) 28(3) ? 8_555 . 9_555 .
O(1) Ca(3) Cl(1) Ca(3) -147.96(3) ? 9_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) 109.36(3) ? 9_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) -141(2) ? 9_555 . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) -150.9(2) ? 9_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) 109.0(3) ? 9_555 . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) 160.70(4) ? 9_555 . 8_555 .
Cl(1) Ca(3) O(1) Ca(2) 2(2) ? 8_555 . 10_555 .
Cl(1) Ca(3) O(1) P(1) -67.22(3) ? 8_555 . 10_555 .
O(1) Ca(3) Cl(1) Ca(3) -8.92(2) ? 10_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) -111.59(3) ? 10_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) -2(2) ? 10_555 . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) -11.8(2) ? 10_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) -112.0(3) ? 10_555 . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) -60.254(16) ? 10_555 . 8_555 .
Cl(1) Ca(3) O(2) Ca(1) 100.05(7) ? 8_555 . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -0.96(11) ? 8_555 . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) -130.46(9) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) 49.54(9) ? 8_555 . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) -81.64(9) ? 3_655 . 8_555 3_555
O(2) Ca(3) Cl(1) Ca(3) 175.69(9) ? 3_655 . 8_555 5_555
O(2) Ca(3) Cl(1) Ca(2) -75(2) ? 3_655 . 8_555 .
O(2) Ca(3) Cl(1) Ca(2) -84.5(2) ? 3_655 . 8_555 3_555
O(2) Ca(3) Cl(1) Ca(2) 175.3(3) ? 3_655 . 8_555 5_555
O(2) Ca(3) Cl(1) F(1) -132.98(10) ? 3_655 . 8_555 .
Cl(1) Ca(3) O(3) P(1) -27.968(19) ? 8_555 . 5_555 5_555
O(3) Ca(3) Cl(1) Ca(3) 146.57(2) ? 5_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) 43.90(3) ? 5_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(2) 154(2) ? 5_555 . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) 143.7(2) ? 5_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) 43.5(3) ? 5_555 . 8_555 5_555
O(3) Ca(3) Cl(1) F(1) 95.234(16) ? 5_555 . 8_555 .
P(1) Ca(3) F(1) Cl(1) -90.0 ? . . . .
P(1) Ca(3) F(1) Cl(1) 90.0 ? . . . 8_555
F(1) Ca(3) P(1) Ca(1) 146.976(5) ? . . . 2_655
F(1) Ca(3) P(1) Ca(1) -146.977(5) ? . . . 7_665
F(1) Ca(3) P(1) O(1) -85.15(3) ? . . . .
F(1) Ca(3) P(1) O(1) 85.15(3) ? . . . 10_555
P(1) Ca(3) O(1) Ca(1) 92.09(2) ? . . . 7_665
P(1) Ca(3) O(1) Ca(2) -69(2) ? . . . .
P(1) Ca(3) O(1) Ca(3) -159.75(6) ? . . . 2_554
P(1) Ca(3) O(1) Ca(2) -155.4(4) ? . . . 2_554
O(1) Ca(3) P(1) Ca(1) -127.87(3) ? . . . 2_655
O(1) Ca(3) P(1) Ca(1) -61.83(3) ? . . . 7_665
O(1) Ca(3) P(1) Ca(2) 85.15(3) ? . . . .
O(1) Ca(3) P(1) O(2) -94.85(3) ? . . . .
O(1) Ca(3) P(1) O(3) 85.15(3) ? . . . .
O(1) Ca(3) P(1) O(1) 170.30(5) ? . . . 10_555
P(1) Ca(3) O(1) Ca(3) 111.94(5) ? . . 6_555 6_555
P(1) Ca(3) O(1) Ca(2) 107.8(4) ? . . 6_555 6_555
P(1) Ca(3) O(1) P(1) -36.10(10) ? . . 6_555 6_555
P(1) Ca(3) O(1) Ca(2) 50(3) ? . . 6_555 .
O(1) Ca(3) P(1) Ca(1) 46.38(4) ? 6_555 . . 2_655
O(1) Ca(3) P(1) Ca(1) 112.43(4) ? 6_555 . . 7_665
O(1) Ca(3) P(1) Ca(2) -100.59(4) ? 6_555 . . .
O(1) Ca(3) P(1) O(1) 174.26(6) ? 6_555 . . .
O(1) Ca(3) P(1) O(2) 79.41(4) ? 6_555 . . .
O(1) Ca(3) P(1) O(3) -100.59(4) ? 6_555 . . .
O(1) Ca(3) P(1) O(1) -15.44(4) ? 6_555 . . 10_555
P(1) Ca(3) O(1) Ca(2) -50(3) ? . . 9_555 .
O(1) Ca(3) P(1) Ca(1) -112.43(4) ? 9_555 . . 2_655
O(1) Ca(3) P(1) Ca(1) -46.38(4) ? 9_555 . . 7_665
O(1) Ca(3) P(1) Ca(2) 100.59(4) ? 9_555 . . .
O(1) Ca(3) P(1) O(1) 15.44(4) ? 9_555 . . .
O(1) Ca(3) P(1) O(2) -79.41(4) ? 9_555 . . .
O(1) Ca(3) P(1) O(3) 100.59(4) ? 9_555 . . .
O(1) Ca(3) P(1) O(1) -174.26(6) ? 9_555 . . 10_555
P(1) Ca(3) O(1) Ca(2) 69(2) ? . . 10_555 .
O(1) Ca(3) P(1) Ca(1) 61.83(3) ? 10_555 . . 2_655
O(1) Ca(3) P(1) Ca(1) 127.87(3) ? 10_555 . . 7_665
O(1) Ca(3) P(1) Ca(2) -85.15(3) ? 10_555 . . .
O(1) Ca(3) P(1) O(1) -170.30(5) ? 10_555 . . .
O(1) Ca(3) P(1) O(2) 94.85(3) ? 10_555 . . .
O(1) Ca(3) P(1) O(3) -85.15(3) ? 10_555 . . .
P(1) Ca(3) O(2) Ca(1) 50.50(2) ? . . 3_655 2_655
P(1) Ca(3) O(2) Ca(1) -50.51(2) ? . . 3_655 7_665
O(2) Ca(3) P(1) Ca(1) -33.024(5) ? 3_655 . . 2_655
O(2) Ca(3) P(1) Ca(1) 33.023(5) ? 3_655 . . 7_665
O(2) Ca(3) P(1) O(1) 94.85(3) ? 3_655 . . .
O(2) Ca(3) P(1) O(1) -94.85(3) ? 3_655 . . 10_555
O(3) Ca(3) P(1) Ca(1) -33.024(5) ? 5_555 . . 2_655
O(3) Ca(3) P(1) Ca(1) 33.023(5) ? 5_555 . . 7_665
O(3) Ca(3) P(1) O(1) 94.85(3) ? 5_555 . . .
O(3) Ca(3) P(1) O(1) -94.85(3) ? 5_555 . . 10_555
F(1) Ca(3) O(1) Ca(1) -176.801(19) ? . . . 7_665
F(1) Ca(3) O(1) Ca(2) 22(2) ? . . . .
F(1) Ca(3) O(1) P(1) 91.11(3) ? . . . .
F(1) Ca(3) O(1) Ca(3) -68.64(5) ? . . . 2_554
F(1) Ca(3) O(1) Ca(2) -64.3(4) ? . . . 2_554
O(1) Ca(3) F(1) Ca(3) -29.285(18) ? . . . 3_555
O(1) Ca(3) F(1) Ca(3) 150.715(18) ? . . . 5_555
O(1) Ca(3) F(1) Ca(2) -29.285(18) ? . . . .
O(1) Ca(3) F(1) Cl(1) -119.285(18) ? . . . .
O(1) Ca(3) F(1) Ca(2) -29.285(18) ? . . . 3_555
O(1) Ca(3) F(1) Ca(2) 150.715(18) ? . . . 5_555
O(1) Ca(3) F(1) Cl(1) 60.715(18) ? . . . 8_555
F(1) Ca(3) O(1) Ca(3) 24.43(7) ? . . 6_555 6_555
F(1) Ca(3) O(1) Ca(2) 20.3(5) ? . . 6_555 6_555
F(1) Ca(3) O(1) P(1) -123.61(6) ? . . 6_555 6_555
F(1) Ca(3) O(1) Ca(2) -37(3) ? . . 6_555 .
O(1) Ca(3) F(1) Ca(3) 109.15(4) ? 6_555 . . 3_555
O(1) Ca(3) F(1) Ca(3) -70.85(4) ? 6_555 . . 5_555
O(1) Ca(3) F(1) Ca(2) 109.15(4) ? 6_555 . . .
O(1) Ca(3) F(1) Cl(1) 19.15(4) ? 6_555 . . .
O(1) Ca(3) F(1) Ca(2) 109.15(4) ? 6_555 . . 3_555
O(1) Ca(3) F(1) Ca(2) -70.85(4) ? 6_555 . . 5_555
O(1) Ca(3) F(1) Cl(1) -160.85(4) ? 6_555 . . 8_555
F(1) Ca(3) O(1) Ca(2) 37(3) ? . . 9_555 .
O(1) Ca(3) F(1) Ca(3) -109.15(4) ? 9_555 . . 3_555
O(1) Ca(3) F(1) Ca(3) 70.85(4) ? 9_555 . . 5_555
O(1) Ca(3) F(1) Ca(2) -109.15(4) ? 9_555 . . .
O(1) Ca(3) F(1) Cl(1) 160.85(4) ? 9_555 . . .
O(1) Ca(3) F(1) Ca(2) -109.15(4) ? 9_555 . . 3_555
O(1) Ca(3) F(1) Ca(2) 70.85(4) ? 9_555 . . 5_555
O(1) Ca(3) F(1) Cl(1) -19.15(4) ? 9_555 . . 8_555
F(1) Ca(3) O(1) Ca(2) -22(2) ? . . 10_555 .
F(1) Ca(3) O(1) P(1) -91.11(3) ? . . 10_555 .
O(1) Ca(3) F(1) Ca(3) 29.285(18) ? 10_555 . . 3_555
O(1) Ca(3) F(1) Ca(3) -150.715(18) ? 10_555 . . 5_555
O(1) Ca(3) F(1) Ca(2) 29.285(18) ? 10_555 . . .
O(1) Ca(3) F(1) Cl(1) -60.715(18) ? 10_555 . . .
O(1) Ca(3) F(1) Ca(2) 29.285(18) ? 10_555 . . 3_555
O(1) Ca(3) F(1) Ca(2) -150.715(18) ? 10_555 . . 5_555
O(1) Ca(3) F(1) Cl(1) 119.285(18) ? 10_555 . . 8_555
F(1) Ca(3) O(2) Ca(1) 50.50(2) ? . . 3_655 2_655
F(1) Ca(3) O(2) Ca(1) -50.51(2) ? . . 3_655 7_665
O(2) Ca(3) F(1) Cl(1) -90.0 ? 3_655 . . .
O(2) Ca(3) F(1) Cl(1) 90.0 ? 3_655 . . 8_555
O(3) Ca(3) F(1) Cl(1) 90.0 ? 5_555 . . .
O(3) Ca(3) F(1) Cl(1) -90.0 ? 5_555 . . 8_555
O(1) Ca(3) O(1) Ca(3) 116.18(8) ? . . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) 112.0(5) ? . . 6_555 6_555
O(1) Ca(3) O(1) P(1) -31.86(15) ? . . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) 54(3) ? . . 6_555 .
O(1) Ca(3) O(1) Ca(1) 83.87(9) ? 6_555 . . 7_665
O(1) Ca(3) O(1) Ca(2) -77(2) ? 6_555 . . .
O(1) Ca(3) O(1) P(1) -8.22(10) ? 6_555 . . .
O(1) Ca(3) O(1) Ca(3) -167.97(8) ? 6_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) -163.6(4) ? 6_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) -43(3) ? . . 9_555 .
O(1) Ca(3) O(1) Ca(1) -73.27(3) ? 9_555 . . 7_665
O(1) Ca(3) O(1) Ca(2) 126(2) ? 9_555 . . .
O(1) Ca(3) O(1) P(1) -165.36(3) ? 9_555 . . .
O(1) Ca(3) O(1) Ca(3) 34.89(6) ? 9_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) 39.3(4) ? 9_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) 63(2) ? . . 10_555 .
O(1) Ca(3) O(1) P(1) -5.55(3) ? . . 10_555 .
O(1) Ca(3) O(1) Ca(1) 97.64(2) ? 10_555 . . 7_665
O(1) Ca(3) O(1) Ca(2) -63(2) ? 10_555 . . .
O(1) Ca(3) O(1) P(1) 5.55(3) ? 10_555 . . .
O(1) Ca(3) O(1) Ca(3) -154.20(5) ? 10_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) -149.8(4) ? 10_555 . . 2_554
O(1) Ca(3) O(2) Ca(1) 80.61(2) ? . . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) -20.40(3) ? . . 3_655 7_665
O(1) Ca(3) O(2) P(1) -149.891(19) ? . . 3_655 3_655
O(1) Ca(3) O(2) Ca(2) 30.109(19) ? . . 3_655 .
O(2) Ca(3) O(1) Ca(1) 16.20(2) ? 3_655 . . 7_665
O(2) Ca(3) O(1) Ca(2) -145(2) ? 3_655 . . .
O(2) Ca(3) O(1) P(1) -75.89(3) ? 3_655 . . .
O(2) Ca(3) O(1) Ca(3) 124.36(4) ? 3_655 . . 2_554
O(2) Ca(3) O(1) Ca(2) 128.7(4) ? 3_655 . . 2_554
O(1) Ca(3) O(3) P(1) -93.81(10) ? . . 5_555 5_555
O(3) Ca(3) O(1) Ca(1) -78.01(10) ? 5_555 . . 7_665
O(3) Ca(3) O(1) Ca(2) 121(2) ? 5_555 . . .
O(3) Ca(3) O(1) P(1) -170.10(10) ? 5_555 . . .
O(3) Ca(3) O(1) Ca(3) 30.15(13) ? 5_555 . . 2_554
O(3) Ca(3) O(1) Ca(2) 34.5(4) ? 5_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) 159(3) ? 6_555 . 9_555 .
O(1) Ca(3) O(1) Ca(3) -96.72(8) ? 9_555 . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) -100.9(5) ? 9_555 . 6_555 6_555
O(1) Ca(3) O(1) P(1) 115.25(7) ? 9_555 . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) -159(3) ? 9_555 . 6_555 .
O(1) Ca(3) O(1) Ca(2) -126(2) ? 6_555 . 10_555 .
O(1) Ca(3) O(1) P(1) 165.36(3) ? 6_555 . 10_555 .
O(1) Ca(3) O(1) Ca(3) 104.42(5) ? 10_555 . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) 100.3(4) ? 10_555 . 6_555 6_555
O(1) Ca(3) O(1) P(1) -43.61(9) ? 10_555 . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) 43(3) ? 10_555 . 6_555 .
O(1) Ca(3) O(2) Ca(1) -61.89(5) ? 6_555 . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) -162.90(3) ? 6_555 . 3_655 7_665
O(1) Ca(3) O(2) P(1) 67.60(4) ? 6_555 . 3_655 3_655
O(1) Ca(3) O(2) Ca(2) -112.40(4) ? 6_555 . 3_655 .
O(2) Ca(3) O(1) Ca(3) 179.59(5) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(1) Ca(2) 175.4(4) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(1) P(1) 31.55(10) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(1) Ca(2) 118(3) ? 3_655 . 6_555 .
O(1) Ca(3) O(3) P(1) 98.83(2) ? 6_555 . 5_555 5_555
O(3) Ca(3) O(1) Ca(3) -73.12(5) ? 5_555 . 6_555 6_555
O(3) Ca(3) O(1) Ca(2) -77.3(4) ? 5_555 . 6_555 6_555
O(3) Ca(3) O(1) P(1) 138.85(7) ? 5_555 . 6_555 6_555
O(3) Ca(3) O(1) Ca(2) -135(3) ? 5_555 . 6_555 .
O(1) Ca(3) O(1) Ca(2) 77(2) ? 9_555 . 10_555 .
O(1) Ca(3) O(1) P(1) 8.22(10) ? 9_555 . 10_555 .
O(1) Ca(3) O(1) Ca(2) -54(3) ? 10_555 . 9_555 .
O(1) Ca(3) O(2) Ca(1) 162.90(3) ? 9_555 . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) 61.89(5) ? 9_555 . 3_655 7_665
O(1) Ca(3) O(2) P(1) -67.60(4) ? 9_555 . 3_655 3_655
O(1) Ca(3) O(2) Ca(2) 112.40(4) ? 9_555 . 3_655 .
O(2) Ca(3) O(1) Ca(2) -118(3) ? 3_655 . 9_555 .
O(1) Ca(3) O(3) P(1) -98.83(2) ? 9_555 . 5_555 5_555
O(3) Ca(3) O(1) Ca(2) 135(3) ? 5_555 . 9_555 .
O(1) Ca(3) O(2) Ca(1) 20.40(3) ? 10_555 . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) -80.61(2) ? 10_555 . 3_655 7_665
O(1) Ca(3) O(2) P(1) 149.891(19) ? 10_555 . 3_655 3_655
O(1) Ca(3) O(2) Ca(2) -30.109(19) ? 10_555 . 3_655 .
O(2) Ca(3) O(1) Ca(2) 145(2) ? 3_655 . 10_555 .
O(2) Ca(3) O(1) P(1) 75.89(3) ? 3_655 . 10_555 .
O(1) Ca(3) O(3) P(1) 93.81(10) ? 10_555 . 5_555 5_555
O(3) Ca(3) O(1) Ca(2) -121(2) ? 5_555 . 10_555 .
O(3) Ca(3) O(1) P(1) 170.10(10) ? 5_555 . 10_555 .
O(3) Ca(3) O(2) Ca(1) -129.50(2) ? 5_555 . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) 129.49(2) ? 5_555 . 3_655 7_665
Ca(3) Ca(2) Cl(1) Ca(3) 100(2) ? . . . 2_555
Ca(3) Ca(2) Cl(1) Ca(3) -173(2) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 71(4) ? . . . 4_555
Ca(3) Ca(2) Cl(1) Ca(3) -71(2) ? . . . 5_555
Ca(3) Ca(2) Cl(1) Ca(3) 17(2) ? . . . 6_555
Ca(3) Ca(2) Cl(1) F(1) -120(3) ? . . . .
Ca(3) Ca(2) Cl(1) Ca(2) 100(2) ? . . . 2_555
Ca(3) Ca(2) Cl(1) Ca(2) -170(2) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 60(4) ? . . . 4_555
Ca(3) Ca(2) Cl(1) Ca(2) -70(2) ? . . . 5_555
Ca(3) Ca(2) Cl(1) Ca(2) 20(2) ? . . . 6_555
Ca(3) Ca(2) Cl(1) Cl(1) 60(3) ? . . . 7_556
Ca(3) Ca(2) Cl(1) Ca(3) 172(3) ? . . 2_554 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 88(3) ? . . 2_554 5_555
Ca(3) Ca(2) Cl(1) Ca(3) -100(3) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) Ca(2) -101(3) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) F(1) -51(3) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) Ca(2) 170(3) ? . . 2_554 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 88(3) ? . . 2_554 5_555
Ca(3) Ca(2) Cl(1) Ca(3) 100(3) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(3) -172(3) ? . . 7_556 3_555
Ca(3) Ca(2) Cl(1) Ca(3) -139(2) ? . . 7_556 4_555
Ca(3) Ca(2) Cl(1) Ca(3) -88(3) ? . . 7_556 5_555
Ca(3) Ca(2) Cl(1) Ca(3) -0.8(10) ? . . 7_556 6_555
Ca(3) Ca(2) Cl(1) Ca(2) 101(3) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(2) -170(3) ? . . 7_556 3_555
Ca(3) Ca(2) Cl(1) Ca(2) -129(3) ? . . 7_556 4_555
Ca(3) Ca(2) Cl(1) Ca(2) -88(3) ? . . 7_556 5_555
Ca(3) Ca(2) Cl(1) Ca(2) 2(3) ? . . 7_556 6_555
Ca(3) Ca(2) Cl(1) Cl(1) -129(3) ? . . 7_556 .
Ca(3) Ca(2) Cl(1) F(1) 51(3) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(3) 173(2) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 71(2) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) Ca(2) 170(2) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 70(2) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) F(1) 120(3) ? . . 8_555 .
Ca(3) Ca(2) P(1) Ca(1) -32.74(2) ? . . . 2_655
Ca(3) Ca(2) P(1) Ca(1) 32.74(2) ? . . . 7_665
Ca(3) Ca(2) P(1) O(1) 92.8(2) ? . . . .
Ca(3) Ca(2) P(1) O(1) -92.8(2) ? . . . 10_555
Ca(3) Ca(2) F(1) Cl(1) 90.0 ? . . . .
Ca(3) Ca(2) F(1) Cl(1) -90.0 ? . . . 8_555
Ca(3) Ca(2) O(1) Ca(1) -19(2) ? . . . 7_665
Ca(3) Ca(2) O(1) P(1) -111(2) ? . . . .
Ca(3) Ca(2) O(1) Ca(3) 91(2) ? . . . 2_554
Ca(3) Ca(2) O(1) Ca(2) 95(2) ? . . . 2_554
Ca(3) Ca(2) O(1) Ca(3) -120(3) ? . . 6_555 6_555
Ca(3) Ca(2) O(1) Ca(2) -124(3) ? . . 6_555 6_555
Ca(3) Ca(2) O(1) P(1) 99(3) ? . . 6_555 6_555
Ca(3) Ca(2) O(1) P(1) 111(2) ? . . 10_555 .
Ca(3) Ca(2) O(2) Ca(1) -130.91(14) ? . . 3_655 2_655
Ca(3) Ca(2) O(2) Ca(1) 130.91(14) ? . . 3_655 7_665
Cl(1) Ca(2) Cl(1) Ca(3) -129(3) ? . . 2_554 .
Cl(1) Ca(2) Cl(1) Ca(3) 43.8(2) ? . . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -40.3(2) ? . . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 131.8(3) ? . . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 130.8(4) ? . . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 40.9(3) ? . . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.9(4) ? . . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 120(3) ? 2_554 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -139.9(2) ? 2_554 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -52.8(2) ? 2_554 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -168.3(17) ? 2_554 . . 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 49.4(2) ? 2_554 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 137.0(2) ? 2_554 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -139.8(3) ? 2_554 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -49.9(3) ? 2_554 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 49.9(4) ? 2_554 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 139.8(2) ? 2_554 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) 129(3) ? . . 7_556 .
Cl(1) Ca(2) Cl(1) Ca(3) -131.8(3) ? . . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -43.8(2) ? . . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -10.4(14) ? . . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 40.3(2) ? . . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.8(2) ? . . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.8(4) ? . . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.9(3) ? . . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 40.9(4) ? . . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.8(3) ? . . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -60(3) ? 7_556 . . .
Cl(1) Ca(2) Cl(1) Ca(3) 40.1(2) ? 7_556 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.2(2) ? 7_556 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 11.7(17) ? 7_556 . . 4_555
Cl(1) Ca(2) Cl(1) Ca(3) -130.6(2) ? 7_556 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -43.0(2) ? 7_556 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(2) 40.2(3) ? 7_556 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.1(3) ? 7_556 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.1(4) ? 7_556 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.2(2) ? 7_556 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -120(3) ? . . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 52.8(2) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -49.4(2) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 49.9(3) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -49.9(4) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 120(3) ? 8_555 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -139.9(2) ? 8_555 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -52.8(2) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -168.3(17) ? 8_555 . . 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 49.4(2) ? 8_555 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 137.0(2) ? 8_555 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -139.8(3) ? 8_555 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -49.9(3) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 49.9(4) ? 8_555 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 139.8(2) ? 8_555 . . 6_555
Cl(1) Ca(2) P(1) Ca(1) 118.20(13) ? . . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -176.33(19) ? . . . 7_665
Cl(1) Ca(2) P(1) Ca(3) 150.93(16) ? . . . .
Cl(1) Ca(2) P(1) O(1) -116.2(3) ? . . . .
Cl(1) Ca(2) P(1) O(2) 150.93(16) ? . . . .
Cl(1) Ca(2) P(1) O(3) -29.07(16) ? . . . .
Cl(1) Ca(2) P(1) O(1) 58.09(6) ? . . . 10_555
P(1) Ca(2) Cl(1) Ca(3) -150(2) ? . . . .
P(1) Ca(2) Cl(1) Ca(3) -50.28(13) ? . . . 2_555
P(1) Ca(2) Cl(1) Ca(3) 36.88(15) ? . . . 3_555
P(1) Ca(2) Cl(1) Ca(3) -79(2) ? . . . 4_555
P(1) Ca(2) Cl(1) Ca(3) 139.06(10) ? . . . 5_555
P(1) Ca(2) Cl(1) Ca(3) -133.33(15) ? . . . 6_555
P(1) Ca(2) Cl(1) F(1) 89.7(3) ? . . . .
P(1) Ca(2) Cl(1) Ca(2) -50.2(3) ? . . . 2_555
P(1) Ca(2) Cl(1) Ca(2) 39.7(2) ? . . . 3_555
P(1) Ca(2) Cl(1) Ca(2) -90(2) ? . . . 4_555
P(1) Ca(2) Cl(1) Ca(2) 139.6(3) ? . . . 5_555
P(1) Ca(2) Cl(1) Ca(2) -130.5(2) ? . . . 6_555
P(1) Ca(2) Cl(1) Cl(1) -90.3(3) ? . . . 7_556
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? . . . .
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? . . . 3_555
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? . . . 5_555
Cl(1) Ca(2) F(1) Ca(2) 90.0 ? . . . 3_555
Cl(1) Ca(2) F(1) Ca(2) -90.0 ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(3) 120(3) ? . . . .
F(1) Ca(2) Cl(1) Ca(3) -139.9(2) ? . . . 2_555
F(1) Ca(2) Cl(1) Ca(3) -52.8(2) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(3) -168.3(17) ? . . . 4_555
F(1) Ca(2) Cl(1) Ca(3) 49.4(2) ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(3) 137.0(2) ? . . . 6_555
F(1) Ca(2) Cl(1) Ca(2) -139.8(3) ? . . . 2_555
F(1) Ca(2) Cl(1) Ca(2) -49.9(3) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(2) 49.9(4) ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(2) 139.8(2) ? . . . 6_555
Cl(1) Ca(2) O(1) Ca(1) 159.01(17) ? . . . 7_665
Cl(1) Ca(2) O(1) Ca(3) 178(2) ? . . . .
Cl(1) Ca(2) O(1) P(1) 66.7(2) ? . . . .
Cl(1) Ca(2) O(1) Ca(3) -90.6(2) ? . . . 2_554
Cl(1) Ca(2) O(1) Ca(2) -86.5(5) ? . . . 2_554
O(1) Ca(2) Cl(1) Ca(3) -178(2) ? . . . .
O(1) Ca(2) Cl(1) Ca(3) -78.2(2) ? . . . 2_555
O(1) Ca(2) Cl(1) Ca(3) 9.0(2) ? . . . 3_555
O(1) Ca(2) Cl(1) Ca(3) -106.6(18) ? . . . 4_555
O(1) Ca(2) Cl(1) Ca(3) 111.2(2) ? . . . 5_555
O(1) Ca(2) Cl(1) Ca(3) -161.2(2) ? . . . 6_555
O(1) Ca(2) Cl(1) F(1) 61.78(18) ? . . . .
O(1) Ca(2) Cl(1) Ca(2) -78.1(3) ? . . . 2_555
O(1) Ca(2) Cl(1) Ca(2) 11.9(3) ? . . . 3_555
O(1) Ca(2) Cl(1) Ca(2) -118(2) ? . . . 4_555
O(1) Ca(2) Cl(1) Ca(2) 111.7(4) ? . . . 5_555
O(1) Ca(2) Cl(1) Ca(2) -158.4(2) ? . . . 6_555
O(1) Ca(2) Cl(1) Cl(1) -118.22(18) ? . . . 7_556
Cl(1) Ca(2) O(1) Ca(3) 30.0(4) ? . . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(2) 25.9(6) ? . . 6_555 6_555
Cl(1) Ca(2) O(1) P(1) -110.9(3) ? . . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(3) 150(3) ? . . 6_555 .
O(1) Ca(2) Cl(1) Ca(3) -37(2) ? 6_555 . . .
O(1) Ca(2) Cl(1) Ca(3) 62.5(2) ? 6_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(3) 149.7(2) ? 6_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(3) 34(2) ? 6_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(3) -108.1(2) ? 6_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(3) -20.5(2) ? 6_555 . . 6_555
O(1) Ca(2) Cl(1) F(1) -157.5(4) ? 6_555 . . .
O(1) Ca(2) Cl(1) Ca(2) 62.6(4) ? 6_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(2) 152.6(3) ? 6_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(2) 22(2) ? 6_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(2) -107.6(4) ? 6_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(2) -17.7(3) ? 6_555 . . 6_555
O(1) Ca(2) Cl(1) Cl(1) 22.5(4) ? 6_555 . . 7_556
Cl(1) Ca(2) O(1) Ca(3) -125(3) ? . . 9_555 .
O(1) Ca(2) Cl(1) Ca(3) 91(3) ? 9_555 . . .
O(1) Ca(2) Cl(1) Ca(3) -169.5(9) ? 9_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(3) -82.3(9) ? 9_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(3) 162.1(10) ? 9_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(3) 19.9(9) ? 9_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(3) 107.5(8) ? 9_555 . . 6_555
O(1) Ca(2) Cl(1) F(1) -29.5(6) ? 9_555 . . .
O(1) Ca(2) Cl(1) Ca(2) -169.4(9) ? 9_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(2) -79.5(9) ? 9_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(2) 150.5(16) ? 9_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(2) 20.4(9) ? 9_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(2) 110.3(9) ? 9_555 . . 6_555
O(1) Ca(2) Cl(1) Cl(1) 150.5(6) ? 9_555 . . 7_556
Cl(1) Ca(2) O(1) Ca(3) 131(2) ? . . 10_555 .
Cl(1) Ca(2) O(1) P(1) -117.91(17) ? . . 10_555 .
O(1) Ca(2) Cl(1) Ca(3) -123(2) ? 10_555 . . .
O(1) Ca(2) Cl(1) Ca(3) -23.5(2) ? 10_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(3) 63.6(2) ? 10_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(3) -52(2) ? 10_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(3) 165.80(17) ? 10_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(3) -106.6(2) ? 10_555 . . 6_555
O(1) Ca(2) Cl(1) F(1) 116.4(4) ? 10_555 . . .
O(1) Ca(2) Cl(1) Ca(2) -23.4(3) ? 10_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(2) 66.5(3) ? 10_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(2) -64(2) ? 10_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(2) 166.3(3) ? 10_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(2) -103.8(3) ? 10_555 . . 6_555
O(1) Ca(2) Cl(1) Cl(1) -63.6(4) ? 10_555 . . 7_556
Cl(1) Ca(2) O(2) Ca(1) -10.4(14) ? . . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -108.5(11) ? . . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) 120.6(12) ? . . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 120.6(12) ? . . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) -95(2) ? 3_655 . . .
O(2) Ca(2) Cl(1) Ca(3) 4.5(12) ? 3_655 . . 2_555
O(2) Ca(2) Cl(1) Ca(3) 91.6(12) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(3) -24(3) ? 3_655 . . 4_555
O(2) Ca(2) Cl(1) Ca(3) -166.2(12) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) Ca(3) -78.6(12) ? 3_655 . . 6_555
O(2) Ca(2) Cl(1) F(1) 144.4(14) ? 3_655 . . .
O(2) Ca(2) Cl(1) Ca(2) 4.6(13) ? 3_655 . . 2_555
O(2) Ca(2) Cl(1) Ca(2) 94.5(12) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(2) -36(3) ? 3_655 . . 4_555
O(2) Ca(2) Cl(1) Ca(2) -165.6(12) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) Ca(2) -75.7(13) ? 3_655 . . 6_555
O(2) Ca(2) Cl(1) Cl(1) -35.6(14) ? 3_655 . . 7_556
Cl(1) Ca(2) Cl(1) Ca(3) 129(3) ? 2_554 . 7_556 .
Cl(1) Ca(2) Cl(1) Ca(3) -131.8(3) ? 2_554 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -43.8(2) ? 2_554 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -10.4(14) ? 2_554 . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 40.3(2) ? 2_554 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.8(2) ? 2_554 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.8(4) ? 2_554 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.9(3) ? 2_554 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 40.9(4) ? 2_554 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.8(3) ? 2_554 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -129(3) ? 7_556 . 2_554 .
Cl(1) Ca(2) Cl(1) Ca(3) 43.8(2) ? 7_556 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -40.3(2) ? 7_556 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 131.8(3) ? 7_556 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 130.8(4) ? 7_556 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 40.9(3) ? 7_556 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.9(4) ? 7_556 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 60(3) ? 2_554 . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) -127.2(2) ? 2_554 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 130.6(2) ? 2_554 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.1(3) ? 2_554 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.1(4) ? 2_554 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -129(3) ? 8_555 . 2_554 .
Cl(1) Ca(2) Cl(1) Ca(3) 43.8(2) ? 8_555 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -40.3(2) ? 8_555 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 131.8(3) ? 8_555 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 130.8(4) ? 8_555 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 40.9(3) ? 8_555 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.9(4) ? 8_555 . 2_554 5_555
Cl(1) Ca(2) P(1) Ca(1) -170.9(2) ? 2_554 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -105.39(16) ? 2_554 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) -138.13(19) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(1) -45.28(4) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(2) -138.13(19) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(3) 41.87(19) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(1) 129.0(4) ? 2_554 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) 142(3) ? . . 2_554 .
P(1) Ca(2) Cl(1) Ca(3) -45.8(2) ? . . 2_554 3_555
P(1) Ca(2) Cl(1) Ca(3) -129.9(2) ? . . 2_554 5_555
P(1) Ca(2) Cl(1) Ca(3) 42.28(19) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) Ca(2) 41.3(4) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) F(1) 90.5(4) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) Ca(2) -48.7(2) ? . . 2_554 3_555
P(1) Ca(2) Cl(1) Ca(2) -130.4(4) ? . . 2_554 5_555
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 2_554 . . .
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 2_554 . . 3_555
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 2_554 . . 5_555
Cl(1) Ca(2) F(1) Ca(2) -90.0 ? 2_554 . . 3_555
Cl(1) Ca(2) F(1) Ca(2) 90.0 ? 2_554 . . 5_555
F(1) Ca(2) Cl(1) Ca(3) -129(3) ? . . 2_554 .
F(1) Ca(2) Cl(1) Ca(3) 43.8(2) ? . . 2_554 3_555
F(1) Ca(2) Cl(1) Ca(3) -40.3(2) ? . . 2_554 5_555
F(1) Ca(2) Cl(1) Ca(3) 131.8(3) ? . . 2_554 2_554
F(1) Ca(2) Cl(1) Ca(2) 130.8(4) ? . . 2_554 2_554
F(1) Ca(2) Cl(1) Ca(2) 40.9(3) ? . . 2_554 3_555
F(1) Ca(2) Cl(1) Ca(2) -40.9(4) ? . . 2_554 5_555
Cl(1) Ca(2) O(1) Ca(1) -137.50(13) ? 2_554 . . 7_665
Cl(1) Ca(2) O(1) Ca(3) -118(2) ? 2_554 . . .
Cl(1) Ca(2) O(1) P(1) 130.22(12) ? 2_554 . . .
Cl(1) Ca(2) O(1) Ca(3) -27.2(3) ? 2_554 . . 2_554
Cl(1) Ca(2) O(1) Ca(2) -23.0(5) ? 2_554 . . 2_554
O(1) Ca(2) Cl(1) Ca(3) 119(3) ? . . 2_554 .
O(1) Ca(2) Cl(1) Ca(3) -68.6(2) ? . . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(3) -152.7(3) ? . . 2_554 5_555
O(1) Ca(2) Cl(1) Ca(3) 19.4(2) ? . . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) 18.4(4) ? . . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) 67.6(5) ? . . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) -71.6(3) ? . . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) -153.3(4) ? . . 2_554 5_555
Cl(1) Ca(2) O(1) Ca(3) -5.5(13) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(2) -9.6(13) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(1) P(1) -146.4(6) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(3) 115(3) ? 2_554 . 6_555 .
O(1) Ca(2) Cl(1) Ca(3) -92(3) ? 6_555 . 2_554 .
O(1) Ca(2) Cl(1) Ca(3) 80.6(11) ? 6_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(3) -3.5(10) ? 6_555 . 2_554 5_555
O(1) Ca(2) Cl(1) Ca(3) 168.7(11) ? 6_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) 167.7(11) ? 6_555 . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) -143.1(8) ? 6_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) 77.7(11) ? 6_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) -4.0(11) ? 6_555 . 2_554 5_555
Cl(1) Ca(2) O(1) Ca(3) -155(3) ? 2_554 . 9_555 .
O(1) Ca(2) Cl(1) Ca(3) 27(3) ? 9_555 . 2_554 .
O(1) Ca(2) Cl(1) Ca(3) -160.4(2) ? 9_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(3) 115.5(2) ? 9_555 . 2_554 5_555
O(1) Ca(2) Cl(1) Ca(3) -72.3(2) ? 9_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) -73.4(4) ? 9_555 . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) -24.2(5) ? 9_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) -163.3(3) ? 9_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) 115.0(4) ? 9_555 . 2_554 5_555
Cl(1) Ca(2) O(1) Ca(3) -166(2) ? 2_554 . 10_555 .
Cl(1) Ca(2) O(1) P(1) -54.9(2) ? 2_554 . 10_555 .
O(1) Ca(2) Cl(1) Ca(3) 166(3) ? 10_555 . 2_554 .
O(1) Ca(2) Cl(1) Ca(3) -21.1(2) ? 10_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(3) -105.3(2) ? 10_555 . 2_554 5_555
O(1) Ca(2) Cl(1) Ca(3) 66.9(2) ? 10_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) 65.9(4) ? 10_555 . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) 115.1(3) ? 10_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) -24.1(3) ? 10_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) -105.8(4) ? 10_555 . 2_554 5_555
Cl(1) Ca(2) O(2) Ca(1) 119.0(7) ? 2_554 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) 20.8(10) ? 2_554 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) -110.1(9) ? 2_554 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -110.1(9) ? 2_554 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) 79(2) ? 3_655 . 2_554 .
O(2) Ca(2) Cl(1) Ca(3) -108.7(10) ? 3_655 . 2_554 3_555
O(2) Ca(2) Cl(1) Ca(3) 167.2(10) ? 3_655 . 2_554 5_555
O(2) Ca(2) Cl(1) Ca(3) -20.7(9) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) Ca(2) -21.7(10) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) F(1) 27.5(12) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) Ca(2) -111.6(10) ? 3_655 . 2_554 3_555
O(2) Ca(2) Cl(1) Ca(2) 166.6(10) ? 3_655 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -120(3) ? 7_556 . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 52.8(2) ? 7_556 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -49.4(2) ? 7_556 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 49.9(3) ? 7_556 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -49.9(4) ? 7_556 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 129(3) ? 8_555 . 7_556 .
Cl(1) Ca(2) Cl(1) Ca(3) -131.8(3) ? 8_555 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -43.8(2) ? 8_555 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -10.4(14) ? 8_555 . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 40.3(2) ? 8_555 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.8(2) ? 8_555 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.8(4) ? 8_555 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.9(3) ? 8_555 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 40.9(4) ? 8_555 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.8(3) ? 8_555 . 7_556 6_555
Cl(1) Ca(2) P(1) Ca(1) 105.39(16) ? 7_556 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) 170.9(2) ? 7_556 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) 138.13(19) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(1) -129.0(4) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(2) 138.13(19) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(3) -41.87(19) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(1) 45.28(4) ? 7_556 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) -142(3) ? . . 7_556 .
P(1) Ca(2) Cl(1) Ca(3) -42.28(19) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) Ca(3) 45.8(2) ? . . 7_556 3_555
P(1) Ca(2) Cl(1) Ca(3) 79.1(10) ? . . 7_556 4_555
P(1) Ca(2) Cl(1) Ca(3) 129.9(2) ? . . 7_556 5_555
P(1) Ca(2) Cl(1) Ca(3) -142.6(2) ? . . 7_556 6_555
P(1) Ca(2) Cl(1) Ca(2) -41.3(4) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) Ca(2) 48.7(2) ? . . 7_556 3_555
P(1) Ca(2) Cl(1) Ca(2) 90(2) ? . . 7_556 4_555
P(1) Ca(2) Cl(1) Ca(2) 130.4(4) ? . . 7_556 5_555
P(1) Ca(2) Cl(1) Ca(2) -139.7(2) ? . . 7_556 6_555
P(1) Ca(2) Cl(1) Cl(1) 89.5(4) ? . . 7_556 .
P(1) Ca(2) Cl(1) F(1) -90.5(4) ? . . 7_556 2_555
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 7_556 . . .
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 7_556 . . 3_555
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 7_556 . . 5_555
Cl(1) Ca(2) F(1) Ca(2) 90.0 ? 7_556 . . 3_555
Cl(1) Ca(2) F(1) Ca(2) -90.0 ? 7_556 . . 5_555
F(1) Ca(2) Cl(1) Ca(3) 129(3) ? . . 7_556 .
F(1) Ca(2) Cl(1) Ca(3) -131.8(3) ? . . 7_556 2_555
F(1) Ca(2) Cl(1) Ca(3) -43.8(2) ? . . 7_556 3_555
F(1) Ca(2) Cl(1) Ca(3) -10.4(14) ? . . 7_556 4_555
F(1) Ca(2) Cl(1) Ca(3) 40.3(2) ? . . 7_556 5_555
F(1) Ca(2) Cl(1) Ca(3) 127.8(2) ? . . 7_556 6_555
F(1) Ca(2) Cl(1) Ca(2) -130.8(4) ? . . 7_556 2_555
F(1) Ca(2) Cl(1) Ca(2) -40.9(3) ? . . 7_556 3_555
F(1) Ca(2) Cl(1) Ca(2) 40.9(4) ? . . 7_556 5_555
F(1) Ca(2) Cl(1) Ca(2) 130.8(3) ? . . 7_556 6_555
Cl(1) Ca(2) O(1) Ca(1) 147.2(2) ? 7_556 . . 7_665
Cl(1) Ca(2) O(1) Ca(3) 166(2) ? 7_556 . . .
Cl(1) Ca(2) O(1) P(1) 54.9(2) ? 7_556 . . .
Cl(1) Ca(2) O(1) Ca(3) -102.5(2) ? 7_556 . . 2_554
Cl(1) Ca(2) O(1) Ca(2) -98.3(4) ? 7_556 . . 2_554
O(1) Ca(2) Cl(1) Ca(3) -166(3) ? . . 7_556 .
O(1) Ca(2) Cl(1) Ca(3) -66.9(2) ? . . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) 21.1(2) ? . . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(3) 54.5(12) ? . . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) 105.3(2) ? . . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(3) -167.2(2) ? . . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(2) -65.9(4) ? . . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) 24.1(3) ? . . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) 65(2) ? . . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) 105.8(4) ? . . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) -164.3(3) ? . . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) 64.9(3) ? . . 7_556 .
O(1) Ca(2) Cl(1) F(1) -115.1(3) ? . . 7_556 2_555
Cl(1) Ca(2) O(1) Ca(3) 35.3(3) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(2) 31.2(5) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(1) P(1) -105.6(4) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(3) 155(3) ? 7_556 . 6_555 .
O(1) Ca(2) Cl(1) Ca(3) -27(3) ? 6_555 . 7_556 .
O(1) Ca(2) Cl(1) Ca(3) 72.3(2) ? 6_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) 160.4(2) ? 6_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(3) -166.3(8) ? 6_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) -115.5(2) ? 6_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(3) -28.0(2) ? 6_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(2) 73.4(4) ? 6_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) 163.3(3) ? 6_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) -156(2) ? 6_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) -115.0(4) ? 6_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) -25.0(3) ? 6_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) -155.8(5) ? 6_555 . 7_556 .
O(1) Ca(2) Cl(1) F(1) 24.2(5) ? 6_555 . 7_556 2_555
Cl(1) Ca(2) O(1) Ca(3) -115(3) ? 7_556 . 9_555 .
O(1) Ca(2) Cl(1) Ca(3) 92(3) ? 9_555 . 7_556 .
O(1) Ca(2) Cl(1) Ca(3) -168.7(11) ? 9_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) -80.6(11) ? 9_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(3) -47(2) ? 9_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) 3.5(10) ? 9_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(3) 91.0(11) ? 9_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(2) -167.7(11) ? 9_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) -77.7(11) ? 9_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) -37(3) ? 9_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) 4.0(11) ? 9_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) 93.9(11) ? 9_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) -36.9(8) ? 9_555 . 7_556 .
O(1) Ca(2) Cl(1) F(1) 143.1(8) ? 9_555 . 7_556 2_555
Cl(1) Ca(2) O(1) Ca(3) 118(2) ? 7_556 . 10_555 .
Cl(1) Ca(2) O(1) P(1) -130.22(12) ? 7_556 . 10_555 .
O(1) Ca(2) Cl(1) Ca(3) -119(3) ? 10_555 . 7_556 .
O(1) Ca(2) Cl(1) Ca(3) -19.4(2) ? 10_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) 68.6(2) ? 10_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(3) 102.0(9) ? 10_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) 152.7(3) ? 10_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(3) -119.8(2) ? 10_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(2) -18.4(4) ? 10_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) 71.6(3) ? 10_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) 112(2) ? 10_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) 153.3(4) ? 10_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) -116.8(3) ? 10_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) 112.4(5) ? 10_555 . 7_556 .
O(1) Ca(2) Cl(1) F(1) -67.6(5) ? 10_555 . 7_556 2_555
Cl(1) Ca(2) O(2) Ca(1) -20.8(10) ? 7_556 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -119.0(7) ? 7_556 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) 110.1(9) ? 7_556 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 110.1(9) ? 7_556 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) -79(2) ? 3_655 . 7_556 .
O(2) Ca(2) Cl(1) Ca(3) 20.7(9) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) Ca(3) 108.7(10) ? 3_655 . 7_556 3_555
O(2) Ca(2) Cl(1) Ca(3) 142.1(3) ? 3_655 . 7_556 4_555
O(2) Ca(2) Cl(1) Ca(3) -167.2(10) ? 3_655 . 7_556 5_555
O(2) Ca(2) Cl(1) Ca(3) -79.7(9) ? 3_655 . 7_556 6_555
O(2) Ca(2) Cl(1) Ca(2) 21.7(10) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) Ca(2) 111.6(10) ? 3_655 . 7_556 3_555
O(2) Ca(2) Cl(1) Ca(2) 152.5(17) ? 3_655 . 7_556 4_555
O(2) Ca(2) Cl(1) Ca(2) -166.6(10) ? 3_655 . 7_556 5_555
O(2) Ca(2) Cl(1) Ca(2) -76.7(10) ? 3_655 . 7_556 6_555
O(2) Ca(2) Cl(1) Cl(1) 152.5(12) ? 3_655 . 7_556 .
O(2) Ca(2) Cl(1) F(1) -27.5(12) ? 3_655 . 7_556 2_555
Cl(1) Ca(2) P(1) Ca(1) 176.33(19) ? 8_555 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -118.20(13) ? 8_555 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) -150.93(16) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(1) -58.09(6) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(2) -150.93(16) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(3) 29.07(16) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(1) 116.2(3) ? 8_555 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) 150(2) ? . . 8_555 .
P(1) Ca(2) Cl(1) Ca(3) -36.88(15) ? . . 8_555 3_555
P(1) Ca(2) Cl(1) Ca(3) -139.06(10) ? . . 8_555 5_555
P(1) Ca(2) Cl(1) Ca(2) -39.7(2) ? . . 8_555 3_555
P(1) Ca(2) Cl(1) Ca(2) -139.6(3) ? . . 8_555 5_555
P(1) Ca(2) Cl(1) F(1) -89.7(3) ? . . 8_555 .
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 8_555 . . .
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 8_555 . . 3_555
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 8_555 . . 5_555
Cl(1) Ca(2) F(1) Ca(2) -90.0 ? 8_555 . . 3_555
Cl(1) Ca(2) F(1) Ca(2) 90.0 ? 8_555 . . 5_555
F(1) Ca(2) Cl(1) Ca(3) -120(3) ? . . 8_555 .
F(1) Ca(2) Cl(1) Ca(3) 52.8(2) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(3) -49.4(2) ? . . 8_555 5_555
F(1) Ca(2) Cl(1) Ca(2) 49.9(3) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(2) -49.9(4) ? . . 8_555 5_555
Cl(1) Ca(2) O(1) Ca(1) -149.81(17) ? 8_555 . . 7_665
Cl(1) Ca(2) O(1) Ca(3) -131(2) ? 8_555 . . .
Cl(1) Ca(2) O(1) P(1) 117.91(17) ? 8_555 . . .
Cl(1) Ca(2) O(1) Ca(3) -39.5(4) ? 8_555 . . 2_554
Cl(1) Ca(2) O(1) Ca(2) -35.3(5) ? 8_555 . . 2_554
O(1) Ca(2) Cl(1) Ca(3) 123(2) ? . . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) -63.6(2) ? . . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) -165.80(17) ? . . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(2) -66.5(3) ? . . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) -166.3(3) ? . . 8_555 5_555
O(1) Ca(2) Cl(1) F(1) -116.4(4) ? . . 8_555 .
Cl(1) Ca(2) O(1) Ca(3) 4.6(10) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(2) 0.5(5) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(1) P(1) -136.3(4) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(3) 125(3) ? 8_555 . 6_555 .
O(1) Ca(2) Cl(1) Ca(3) -91(3) ? 6_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) 82.3(9) ? 6_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) -19.9(9) ? 6_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(2) 79.5(9) ? 6_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) -20.4(9) ? 6_555 . 8_555 5_555
O(1) Ca(2) Cl(1) F(1) 29.5(6) ? 6_555 . 8_555 .
Cl(1) Ca(2) O(1) Ca(3) -150(3) ? 8_555 . 9_555 .
O(1) Ca(2) Cl(1) Ca(3) 37(2) ? 9_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) -149.7(2) ? 9_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) 108.1(2) ? 9_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(2) -152.6(3) ? 9_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) 107.6(4) ? 9_555 . 8_555 5_555
O(1) Ca(2) Cl(1) F(1) 157.5(4) ? 9_555 . 8_555 .
Cl(1) Ca(2) O(1) Ca(3) -178(2) ? 8_555 . 10_555 .
Cl(1) Ca(2) O(1) P(1) -66.7(2) ? 8_555 . 10_555 .
O(1) Ca(2) Cl(1) Ca(3) 178(2) ? 10_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) -9.0(2) ? 10_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) -111.2(2) ? 10_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(2) -11.9(3) ? 10_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) -111.7(4) ? 10_555 . 8_555 5_555
O(1) Ca(2) Cl(1) F(1) -61.78(18) ? 10_555 . 8_555 .
Cl(1) Ca(2) O(2) Ca(1) 108.5(11) ? 8_555 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) 10.4(14) ? 8_555 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) -120.6(12) ? 8_555 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -120.6(12) ? 8_555 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) 95(2) ? 3_655 . 8_555 .
O(2) Ca(2) Cl(1) Ca(3) -91.6(12) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(3) 166.2(12) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) Ca(2) -94.5(12) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(2) 165.6(12) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) F(1) -144.4(14) ? 3_655 . 8_555 .
P(1) Ca(2) F(1) Cl(1) -90.0 ? . . . .
P(1) Ca(2) F(1) Cl(1) 90.0 ? . . . 8_555
F(1) Ca(2) P(1) Ca(1) 147.26(2) ? . . . 2_655
F(1) Ca(2) P(1) Ca(1) -147.26(2) ? . . . 7_665
F(1) Ca(2) P(1) O(1) -87.2(2) ? . . . .
F(1) Ca(2) P(1) O(1) 87.2(2) ? . . . 10_555
P(1) Ca(2) O(1) Ca(1) 92.28(4) ? . . . 7_665
P(1) Ca(2) O(1) Ca(3) 111(2) ? . . . .
P(1) Ca(2) O(1) Ca(3) -157.4(2) ? . . . 2_554
P(1) Ca(2) O(1) Ca(2) -153.2(5) ? . . . 2_554
O(1) Ca(2) P(1) Ca(1) -125.6(2) ? . . . 2_655
O(1) Ca(2) P(1) Ca(1) -60.11(19) ? . . . 7_665
O(1) Ca(2) P(1) Ca(3) -92.8(2) ? . . . .
O(1) Ca(2) P(1) O(2) -92.8(2) ? . . . .
O(1) Ca(2) P(1) O(3) 87.2(2) ? . . . .
O(1) Ca(2) P(1) O(1) 174.3(4) ? . . . 10_555
P(1) Ca(2) O(1) Ca(3) 114.2(3) ? . . 6_555 6_555
P(1) Ca(2) O(1) Ca(2) 110.1(5) ? . . 6_555 6_555
P(1) Ca(2) O(1) P(1) -26.7(9) ? . . 6_555 6_555
P(1) Ca(2) O(1) Ca(3) -126(3) ? . . 6_555 .
O(1) Ca(2) P(1) Ca(1) 41.9(4) ? 6_555 . . 2_655
O(1) Ca(2) P(1) Ca(1) 107.3(5) ? 6_555 . . 7_665
O(1) Ca(2) P(1) Ca(3) 74.6(5) ? 6_555 . . .
O(1) Ca(2) P(1) O(1) 167.5(7) ? 6_555 . . .
O(1) Ca(2) P(1) O(2) 74.6(5) ? 6_555 . . .
O(1) Ca(2) P(1) O(3) -105.4(5) ? 6_555 . . .
O(1) Ca(2) P(1) O(1) -18.2(3) ? 6_555 . . 10_555
P(1) Ca(2) O(1) Ca(3) 126(3) ? . . 9_555 .
O(1) Ca(2) P(1) Ca(1) -107.3(5) ? 9_555 . . 2_655
O(1) Ca(2) P(1) Ca(1) -41.9(4) ? 9_555 . . 7_665
O(1) Ca(2) P(1) Ca(3) -74.6(5) ? 9_555 . . .
O(1) Ca(2) P(1) O(1) 18.2(3) ? 9_555 . . .
O(1) Ca(2) P(1) O(2) -74.6(5) ? 9_555 . . .
O(1) Ca(2) P(1) O(3) 105.4(5) ? 9_555 . . .
O(1) Ca(2) P(1) O(1) -167.5(7) ? 9_555 . . 10_555
P(1) Ca(2) O(1) Ca(3) -111(2) ? . . 10_555 .
O(1) Ca(2) P(1) Ca(1) 60.11(19) ? 10_555 . . 2_655
O(1) Ca(2) P(1) Ca(1) 125.6(2) ? 10_555 . . 7_665
O(1) Ca(2) P(1) Ca(3) 92.8(2) ? 10_555 . . .
O(1) Ca(2) P(1) O(1) -174.3(4) ? 10_555 . . .
O(1) Ca(2) P(1) O(2) 92.8(2) ? 10_555 . . .
O(1) Ca(2) P(1) O(3) -87.2(2) ? 10_555 . . .
P(1) Ca(2) O(2) Ca(1) 49.09(14) ? . . 3_655 2_655
P(1) Ca(2) O(2) Ca(1) -49.09(14) ? . . 3_655 7_665
O(2) Ca(2) P(1) Ca(1) -32.74(2) ? 3_655 . . 2_655
O(2) Ca(2) P(1) Ca(1) 32.74(2) ? 3_655 . . 7_665
O(2) Ca(2) P(1) O(1) 92.8(2) ? 3_655 . . .
O(2) Ca(2) P(1) O(1) -92.8(2) ? 3_655 . . 10_555
F(1) Ca(2) O(1) Ca(1) -175.62(17) ? . . . 7_665
F(1) Ca(2) O(1) Ca(3) -156(2) ? . . . .
F(1) Ca(2) O(1) P(1) 92.10(19) ? . . . .
F(1) Ca(2) O(1) Ca(3) -65.3(4) ? . . . 2_554
F(1) Ca(2) O(1) Ca(2) -61.1(5) ? . . . 2_554
O(1) Ca(2) F(1) Ca(3) 149.4(2) ? . . . .
O(1) Ca(2) F(1) Ca(3) -30.6(2) ? . . . 3_555
O(1) Ca(2) F(1) Ca(3) 149.4(2) ? . . . 5_555
O(1) Ca(2) F(1) Cl(1) -120.6(2) ? . . . .
O(1) Ca(2) F(1) Ca(2) -30.6(2) ? . . . 3_555
O(1) Ca(2) F(1) Ca(2) 149.4(2) ? . . . 5_555
O(1) Ca(2) F(1) Cl(1) 59.4(2) ? . . . 8_555
F(1) Ca(2) O(1) Ca(3) 18.9(7) ? . . 6_555 6_555
F(1) Ca(2) O(1) Ca(2) 14.8(8) ? . . 6_555 6_555
F(1) Ca(2) O(1) P(1) -122.0(3) ? . . 6_555 6_555
F(1) Ca(2) O(1) Ca(3) 139(3) ? . . 6_555 .
O(1) Ca(2) F(1) Ca(3) -67.3(4) ? 6_555 . . .
O(1) Ca(2) F(1) Ca(3) 112.7(4) ? 6_555 . . 3_555
O(1) Ca(2) F(1) Ca(3) -67.3(4) ? 6_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) 22.7(4) ? 6_555 . . .
O(1) Ca(2) F(1) Ca(2) 112.7(4) ? 6_555 . . 3_555
O(1) Ca(2) F(1) Ca(2) -67.3(4) ? 6_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) -157.3(4) ? 6_555 . . 8_555
F(1) Ca(2) O(1) Ca(3) -139(3) ? . . 9_555 .
O(1) Ca(2) F(1) Ca(3) 67.3(4) ? 9_555 . . .
O(1) Ca(2) F(1) Ca(3) -112.7(4) ? 9_555 . . 3_555
O(1) Ca(2) F(1) Ca(3) 67.3(4) ? 9_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) 157.3(4) ? 9_555 . . .
O(1) Ca(2) F(1) Ca(2) -112.7(4) ? 9_555 . . 3_555
O(1) Ca(2) F(1) Ca(2) 67.3(4) ? 9_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) -22.7(4) ? 9_555 . . 8_555
F(1) Ca(2) O(1) Ca(3) 156(2) ? . . 10_555 .
F(1) Ca(2) O(1) P(1) -92.10(19) ? . . 10_555 .
O(1) Ca(2) F(1) Ca(3) -149.4(2) ? 10_555 . . .
O(1) Ca(2) F(1) Ca(3) 30.6(2) ? 10_555 . . 3_555
O(1) Ca(2) F(1) Ca(3) -149.4(2) ? 10_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) -59.4(2) ? 10_555 . . .
O(1) Ca(2) F(1) Ca(2) 30.6(2) ? 10_555 . . 3_555
O(1) Ca(2) F(1) Ca(2) -149.4(2) ? 10_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) 120.6(2) ? 10_555 . . 8_555
F(1) Ca(2) O(2) Ca(1) 49.09(14) ? . . 3_655 2_655
F(1) Ca(2) O(2) Ca(1) -49.09(14) ? . . 3_655 7_665
O(2) Ca(2) F(1) Cl(1) -90.0 ? 3_655 . . .
O(2) Ca(2) F(1) Cl(1) 90.0 ? 3_655 . . 8_555
O(1) Ca(2) O(1) Ca(3) 124.4(9) ? . . 6_555 6_555
O(1) Ca(2) O(1) Ca(2) 120.4(11) ? . . 6_555 6_555
O(1) Ca(2) O(1) P(1) -16.5(16) ? . . 6_555 6_555
O(1) Ca(2) O(1) Ca(3) -115(3) ? . . 6_555 .
O(1) Ca(2) O(1) Ca(1) 73.3(11) ? 6_555 . . 7_665
O(1) Ca(2) O(1) Ca(3) 93(3) ? 6_555 . . .
O(1) Ca(2) O(1) P(1) -18.9(11) ? 6_555 . . .
O(1) Ca(2) O(1) Ca(3) -176.3(9) ? 6_555 . . 2_554
O(1) Ca(2) O(1) Ca(2) -172.1(10) ? 6_555 . . 2_554
O(1) Ca(2) O(1) Ca(3) 135(3) ? . . 9_555 .
O(1) Ca(2) O(1) Ca(1) -70.7(2) ? 9_555 . . 7_665
O(1) Ca(2) O(1) Ca(3) -52(2) ? 9_555 . . .
O(1) Ca(2) O(1) P(1) -163.0(2) ? 9_555 . . .
O(1) Ca(2) O(1) Ca(3) 39.6(5) ? 9_555 . . 2_554
O(1) Ca(2) O(1) Ca(2) 43.8(6) ? 9_555 . . 2_554
O(1) Ca(2) O(1) Ca(3) -115(2) ? . . 10_555 .
O(1) Ca(2) O(1) P(1) -3.3(2) ? . . 10_555 .
O(1) Ca(2) O(1) Ca(1) 95.6(2) ? 10_555 . . 7_665
O(1) Ca(2) O(1) Ca(3) 115(2) ? 10_555 . . .
O(1) Ca(2) O(1) P(1) 3.3(2) ? 10_555 . . .
O(1) Ca(2) O(1) Ca(3) -154.08(6) ? 10_555 . . 2_554
O(1) Ca(2) O(1) Ca(2) -149.9(4) ? 10_555 . . 2_554
O(1) Ca(2) O(2) Ca(1) 80.76(5) ? . . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) -17.4(3) ? . . 3_655 7_665
O(1) Ca(2) O(2) P(1) -148.33(19) ? . . 3_655 3_655
O(1) Ca(2) O(2) Ca(3) -148.33(19) ? . . 3_655 .
O(2) Ca(2) O(1) Ca(1) 14.3(2) ? 3_655 . . 7_665
O(2) Ca(2) O(1) Ca(3) 33(2) ? 3_655 . . .
O(2) Ca(2) O(1) P(1) -78.0(2) ? 3_655 . . .
O(2) Ca(2) O(1) Ca(3) 124.64(13) ? 3_655 . . 2_554
O(2) Ca(2) O(1) Ca(2) 128.8(4) ? 3_655 . . 2_554
O(1) Ca(2) O(1) Ca(3) -18(2) ? 6_555 . 9_555 .
O(1) Ca(2) O(1) Ca(3) -102.0(5) ? 9_555 . 6_555 6_555
O(1) Ca(2) O(1) Ca(2) -106.1(7) ? 9_555 . 6_555 6_555
O(1) Ca(2) O(1) P(1) 117.1(5) ? 9_555 . 6_555 6_555
O(1) Ca(2) O(1) Ca(3) 18(2) ? 9_555 . 6_555 .
O(1) Ca(2) O(1) Ca(3) 52(2) ? 6_555 . 10_555 .
O(1) Ca(2) O(1) P(1) 163.0(2) ? 6_555 . 10_555 .
O(1) Ca(2) O(1) Ca(3) 104.9(2) ? 10_555 . 6_555 6_555
O(1) Ca(2) O(1) Ca(2) 100.8(5) ? 10_555 . 6_555 6_555
O(1) Ca(2) O(1) P(1) -36.0(7) ? 10_555 . 6_555 6_555
O(1) Ca(2) O(1) Ca(3) -135(3) ? 10_555 . 6_555 .
O(1) Ca(2) O(2) Ca(1) -66.9(5) ? 6_555 . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) -165.1(2) ? 6_555 . 3_655 7_665
O(1) Ca(2) O(2) P(1) 64.0(3) ? 6_555 . 3_655 3_655
O(1) Ca(2) O(2) Ca(3) 64.0(3) ? 6_555 . 3_655 .
O(2) Ca(2) O(1) Ca(3) -178.84(17) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(1) Ca(2) 177.1(5) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(1) P(1) 40.3(8) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(1) Ca(3) -59(3) ? 3_655 . 6_555 .
O(1) Ca(2) O(1) Ca(3) -93(3) ? 9_555 . 10_555 .
O(1) Ca(2) O(1) P(1) 18.9(11) ? 9_555 . 10_555 .
O(1) Ca(2) O(1) Ca(3) 115(3) ? 10_555 . 9_555 .
O(1) Ca(2) O(2) Ca(1) 165.1(2) ? 9_555 . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) 66.9(5) ? 9_555 . 3_655 7_665
O(1) Ca(2) O(2) P(1) -64.0(3) ? 9_555 . 3_655 3_655
O(1) Ca(2) O(2) Ca(3) -64.0(3) ? 9_555 . 3_655 .
O(2) Ca(2) O(1) Ca(3) 59(3) ? 3_655 . 9_555 .
O(1) Ca(2) O(2) Ca(1) 17.4(3) ? 10_555 . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) -80.76(5) ? 10_555 . 3_655 7_665
O(1) Ca(2) O(2) P(1) 148.33(19) ? 10_555 . 3_655 3_655
O(1) Ca(2) O(2) Ca(3) 148.33(19) ? 10_555 . 3_655 .
O(2) Ca(2) O(1) Ca(3) -33(2) ? 3_655 . 10_555 .
O(2) Ca(2) O(1) P(1) 78.0(2) ? 3_655 . 10_555 .
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(5) ? . . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(4) ? . . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(5) ? . . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(4) ? . . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.9(4) ? . . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 62.9(5) ? . . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.9(2) ? . . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.1(4) ? . . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.1(5) ? . . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.1(2) ? . . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(4) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(5) ? . . . 5_555
Ca(3) Cl(1) F(1) Ca(2) -2.9(4) ? . . . .
Ca(3) Cl(1) F(1) Ca(2) -122.9(2) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 117.1(5) ? . . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(5) ? 2_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(4) ? 2_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(5) ? 2_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(4) ? 2_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.1(4) ? 2_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 2.9(5) ? 2_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.9(2) ? 2_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.9(4) ? 2_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.1(5) ? 2_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.1(2) ? 2_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) 60.00(5) ? 2_555 . . .
Ca(3) Cl(1) F(1) Ca(3) -60.00(4) ? 2_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 57.1(4) ? 2_555 . . .
Ca(3) Cl(1) F(1) Ca(2) -62.9(2) ? 2_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 177.1(5) ? 2_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(4) ? 3_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(4) ? 3_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(3) ? 3_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(4) ? 3_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.1(4) ? 3_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) -57.1(5) ? 3_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.9(2) ? 3_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.9(4) ? 3_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.9(5) ? 3_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.1(2) ? 3_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(4) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(3) -120.00(4) ? 3_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(2) 117.1(4) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(2) -2.9(2) ? 3_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -122.9(5) ? 3_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(5) ? 4_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(3) ? 4_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(5) ? 4_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(3) ? 4_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.1(4) ? 4_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) -117.1(5) ? 4_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.1(2) ? 4_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.9(4) ? 4_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.9(5) ? 4_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.9(2) ? 4_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) 60.00(3) ? 4_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(3) -60.00(5) ? 4_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(2) 177.1(4) ? 4_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 57.1(2) ? 4_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -62.9(5) ? 4_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(5) ? 5_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(4) ? 5_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(5) ? 5_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(4) ? 5_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.9(4) ? 5_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) -177.1(5) ? 5_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.1(2) ? 5_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.1(4) ? 5_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.9(5) ? 5_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.9(2) ? 5_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(5) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(3) 120.00(4) ? 5_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -122.9(4) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 117.1(2) ? 5_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -2.9(5) ? 5_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(4) ? 6_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(4) ? 6_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(3) ? 6_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(4) ? 6_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.9(4) ? 6_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 122.9(5) ? 6_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.1(2) ? 6_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.1(4) ? 6_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.1(5) ? 6_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.9(2) ? 6_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) -60.00(4) ? 6_555 . . .
Ca(3) Cl(1) F(1) Ca(3) 60.00(4) ? 6_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(2) -62.9(4) ? 6_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 177.1(2) ? 6_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 57.1(5) ? 6_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.9(4) ? . . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) 57.1(4) ? . . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.1(4) ? . . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.1(4) ? . . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.9(4) ? . . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.9(4) ? . . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(6) ? . . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(5) ? . . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(6) ? . . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(5) ? . . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) 2.9(4) ? . . . .
Ca(2) Cl(1) F(1) Ca(3) -117.1(4) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 122.9(4) ? . . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.0(5) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(2) 120.0(6) ? . . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.9(5) ? 2_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) -2.9(5) ? 2_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.1(5) ? 2_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.1(5) ? 2_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.1(5) ? 2_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.9(5) ? 2_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(6) ? 2_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(5) ? 2_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(6) ? 2_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(5) ? 2_555 . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) 62.9(5) ? 2_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -57.1(5) ? 2_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -177.1(5) ? 2_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 60.0(6) ? 2_555 . . .
Ca(2) Cl(1) F(1) Ca(2) -60.0(5) ? 2_555 . . 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.9(2) ? 3_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) -62.9(2) ? 3_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.9(2) ? 3_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.1(2) ? 3_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.1(2) ? 3_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.1(2) ? 3_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(5) ? 3_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(5) ? 3_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(5) ? 3_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(5) ? 3_555 . 7_556 5_555
Ca(2) Cl(1) F(1) Ca(3) 122.9(2) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 2.9(2) ? 3_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -117.1(2) ? 3_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 120.0(5) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(2) -120.0(5) ? 3_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.1(4) ? 4_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) -122.9(4) ? 4_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.9(4) ? 4_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.9(4) ? 4_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.1(4) ? 4_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.1(4) ? 4_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(6) ? 4_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(5) ? 4_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(6) ? 4_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(5) ? 4_555 . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) -177.1(4) ? 4_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 62.9(4) ? 4_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -57.1(4) ? 4_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 60.0(5) ? 4_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(2) -60.0(6) ? 4_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.1(5) ? 5_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) 177.1(5) ? 5_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.9(5) ? 5_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.9(5) ? 5_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.9(5) ? 5_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.1(5) ? 5_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(6) ? 5_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(5) ? 5_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(6) ? 5_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(5) ? 5_555 . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) -117.1(5) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 122.9(5) ? 5_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 2.9(5) ? 5_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.0(6) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(2) 120.0(5) ? 5_555 . . 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.1(2) ? 6_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) 117.1(2) ? 6_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.1(2) ? 6_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.9(2) ? 6_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.9(2) ? 6_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.9(2) ? 6_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(5) ? 6_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(5) ? 6_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(5) ? 6_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(5) ? 6_555 . 7_556 5_555
Ca(2) Cl(1) F(1) Ca(3) -57.1(2) ? 6_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -177.1(2) ? 6_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 62.9(2) ? 6_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -60.0(5) ? 6_555 . . .
Ca(2) Cl(1) F(1) Ca(2) 60.0(5) ? 6_555 . . 5_555
Ca(1) P(1) O(1) Ca(1) -40.657(18) ? 2_655 . . 7_665
Ca(1) P(1) O(1) Ca(3) 56.13(3) ? 2_655 . . .
Ca(1) P(1) O(1) Ca(2) 59.6(3) ? 2_655 . . .
Ca(1) P(1) O(1) Ca(3) -151.71(5) ? 2_655 . . 2_554
Ca(1) P(1) O(1) Ca(2) -158.5(3) ? 2_655 . . 2_554
Ca(1) P(1) O(1) Ca(3) -96.79(3) ? 2_655 . 10_555 .
Ca(1) P(1) O(1) Ca(2) -100.2(3) ? 2_655 . 10_555 .
Ca(1) P(1) O(2) Ca(1) 93.07(3) ? 2_655 . . 7_665
Ca(1) P(1) O(2) Ca(3) -133.466(19) ? 2_655 . . 5_665
Ca(1) P(1) O(2) Ca(2) -133.466(19) ? 2_655 . . 5_665
Ca(1) P(1) O(3) Ca(1) 121.994(18) ? 2_655 . . .
Ca(1) P(1) O(3) Ca(1) -22.45(4) ? 2_655 . . 8_565
Ca(1) P(1) O(3) Ca(3) -130.228(18) ? 2_655 . . 3_555
Ca(1) P(1) O(1) Ca(3) 96.79(3) ? 7_665 . . .
Ca(1) P(1) O(1) Ca(2) 100.2(3) ? 7_665 . . .
Ca(1) P(1) O(1) Ca(3) -111.05(5) ? 7_665 . . 2_554
Ca(1) P(1) O(1) Ca(2) -117.8(3) ? 7_665 . . 2_554
Ca(1) P(1) O(1) Ca(3) -56.13(3) ? 7_665 . 10_555 .
Ca(1) P(1) O(1) Ca(2) -59.6(3) ? 7_665 . 10_555 .
Ca(1) P(1) O(2) Ca(1) -93.07(3) ? 7_665 . . 2_655
Ca(1) P(1) O(2) Ca(3) 133.466(19) ? 7_665 . . 5_665
Ca(1) P(1) O(2) Ca(2) 133.466(19) ? 7_665 . . 5_665
Ca(1) P(1) O(3) Ca(1) 22.45(4) ? 7_665 . . .
Ca(1) P(1) O(3) Ca(1) -121.991(18) ? 7_665 . . 8_565
Ca(1) P(1) O(3) Ca(3) 130.229(18) ? 7_665 . . 3_555
Ca(3) P(1) O(1) Ca(1) -96.79(3) ? . . . 7_665
Ca(3) P(1) O(1) Ca(2) 3.4(3) ? . . . .
Ca(3) P(1) O(1) Ca(3) 152.16(7) ? . . . 2_554
Ca(3) P(1) O(1) Ca(2) 145.4(3) ? . . . 2_554
Ca(3) P(1) O(1) Ca(2) -3.4(3) ? . . 10_555 .
Ca(3) P(1) O(2) Ca(1) -46.534(19) ? . . . 2_655
Ca(3) P(1) O(2) Ca(1) 46.534(19) ? . . . 7_665
Ca(3) P(1) O(3) Ca(1) -107.78(3) ? . . . .
Ca(3) P(1) O(3) Ca(1) 107.78(3) ? . . . 8_565
Ca(2) P(1) O(1) Ca(1) -100.2(3) ? . . . 7_665
Ca(2) P(1) O(1) Ca(3) -3.4(3) ? . . . .
Ca(2) P(1) O(1) Ca(3) 148.7(3) ? . . . 2_554
Ca(2) P(1) O(1) Ca(2) 142.0(5) ? . . . 2_554
Ca(2) P(1) O(1) Ca(3) 3.4(3) ? . . 10_555 .
Ca(2) P(1) O(2) Ca(1) -46.534(19) ? . . . 2_655
Ca(2) P(1) O(2) Ca(1) 46.534(19) ? . . . 7_665
Ca(2) P(1) O(3) Ca(1) -107.78(3) ? . . . .
Ca(2) P(1) O(3) Ca(1) 107.78(3) ? . . . 8_565
O(1) P(1) O(1) Ca(3) 8.26(4) ? . . 10_555 .
O(1) P(1) O(1) Ca(2) 4.8(3) ? . . 10_555 .
O(1) P(1) O(1) Ca(1) -105.05(3) ? 10_555 . . 7_665
O(1) P(1) O(1) Ca(3) -8.26(4) ? 10_555 . . .
O(1) P(1) O(1) Ca(2) -4.8(3) ? 10_555 . . .
O(1) P(1) O(1) Ca(3) 143.90(5) ? 10_555 . . 2_554
O(1) P(1) O(1) Ca(2) 137.1(3) ? 10_555 . . 2_554
O(1) P(1) O(2) Ca(1) -104.12(2) ? . . . 2_655
O(1) P(1) O(2) Ca(1) -11.06(3) ? . . . 7_665
O(1) P(1) O(2) Ca(3) 122.41(2) ? . . . 5_665
O(1) P(1) O(2) Ca(2) 122.41(2) ? . . . 5_665
O(2) P(1) O(1) Ca(1) 9.33(3) ? . . . 7_665
O(2) P(1) O(1) Ca(3) 106.12(4) ? . . . .
O(2) P(1) O(1) Ca(2) 109.5(3) ? . . . .
O(2) P(1) O(1) Ca(3) -101.72(6) ? . . . 2_554
O(2) P(1) O(1) Ca(2) -108.5(3) ? . . . 2_554
O(1) P(1) O(3) Ca(1) -47.05(4) ? . . . .
O(1) P(1) O(3) Ca(1) 168.51(3) ? . . . 8_565
O(1) P(1) O(3) Ca(3) 60.73(2) ? . . . 3_555
O(3) P(1) O(1) Ca(1) 131.14(2) ? . . . 7_665
O(3) P(1) O(1) Ca(3) -132.08(3) ? . . . .
O(3) P(1) O(1) Ca(2) -128.7(3) ? . . . .
O(3) P(1) O(1) Ca(3) 20.08(6) ? . . . 2_554
O(3) P(1) O(1) Ca(2) 13.3(3) ? . . . 2_554
O(1) P(1) O(2) Ca(1) 11.06(3) ? 10_555 . . 2_655
O(1) P(1) O(2) Ca(1) 104.12(2) ? 10_555 . . 7_665
O(1) P(1) O(2) Ca(3) -122.41(2) ? 10_555 . . 5_665
O(1) P(1) O(2) Ca(2) -122.41(2) ? 10_555 . . 5_665
O(2) P(1) O(1) Ca(3) -106.12(4) ? . . 10_555 .
O(2) P(1) O(1) Ca(2) -109.5(3) ? . . 10_555 .
O(1) P(1) O(3) Ca(1) -168.51(3) ? 10_555 . . .
O(1) P(1) O(3) Ca(1) 47.05(4) ? 10_555 . . 8_565
O(1) P(1) O(3) Ca(3) -60.73(2) ? 10_555 . . 3_555
O(3) P(1) O(1) Ca(3) 132.08(3) ? . . 10_555 .
O(3) P(1) O(1) Ca(2) 128.7(3) ? . . 10_555 .
O(2) P(1) O(3) Ca(1) 72.22(3) ? . . . .
O(2) P(1) O(3) Ca(1) -72.22(3) ? . . . 8_565
O(3) P(1) O(2) Ca(1) 133.466(19) ? . . . 2_655
O(3) P(1) O(2) Ca(1) -133.466(19) ? . . . 7_665

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Cl(1) O(1) 3.0718(6) ? . 12_555
F(1) O(1) 3.3111(6) ? . 12_555
O(1) O(3) 3.0310(8) ? . 6_554
O(2) O(1) 3.1952(7) ? . 4_665
O(2) O(1) 2.9581(7) ? . 8_665
O(2) O(3) 3.43378(12) ? . 4_665
O(3) O(1) 3.4384(6) ? . 4_665
O(3) O(2) 3.43378(12) ? . 4_665


#==============================================================================

# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================

#     End of CIF

#==============================================================================

