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                         9.62909(17)
_cell_length_b                         9.62909(17)
_cell_length_c                         6.77866(12)
_cell_angle_alpha                      90.0000
_cell_angle_beta                       90.0000
_cell_angle_gamma                      120.0000
_cell_volume                           544.308(17)
_cell_formula_units_Z                  2
_cell_measurement_reflns_used          5666
_cell_measurement_theta_min            6.5
_cell_measurement_theta_max            71.4
_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          3.172
_exptl_crystal_density_meas            ?
_exptl_crystal_density_method         'not measured'
_exptl_crystal_F_000                   515.20
_exptl_absorpt_coefficient_mu          28.599
_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                  12624
_diffrn_reflns_av_R_equivalents        0.058
_diffrn_reflns_theta_max               71.49
_diffrn_measured_fraction_theta_max    0.997
_diffrn_reflns_theta_full              71.49
_diffrn_measured_fraction_theta_full   0.997
_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 all reflections. 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                   393
_reflns_number_gt                      11834
_reflns_threshold_expression           F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef       F
_refine_ls_R_factor_gt                 0.0405
_refine_ls_wR_factor_ref               0.0447
_refine_ls_hydrogen_treatment          ?
_refine_ls_number_reflns               12624
_refine_ls_number_parameters           42
_refine_ls_goodness_of_fit_ref         0.728
_refine_ls_weighting_scheme            calc
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    4.4610    6.5396    -4.3096
;
_refine_ls_shift/su_max                3.8125
_refine_diff_density_max               21.50
_refine_diff_density_min               -35.80
_refine_ls_extinction_method           
   'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_extinction_coef             20.1(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)
;
  'Cl' 'Cl'  0.364 0.702 
;
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)
;

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

# 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 0.00317(4) 0.00294(8) Uiso 1.00 3 d S . .
 Ca(3) Ca 0.26004(17) 0.00217(12) 0.2500 0.00243(9) Uiso 0.90 2 d SP . .
 Ca(2) Ca 0.2426(16) 0.0133(11) 0.2500 0.00243(9) Uiso 0.10 2 d SP . .
 Cl(1) Cl 0.0000 0.0000 0.43977(12) 0.01542(18) Uani 0.45 3 d SP . .
 P(1) P 0.40689(4) 0.37456(4) 0.2500 0.00021(8) Uani 1.00 2 d S . .
 F(1) F 0.0000 0.0000 0.2500 0.018(4) Uani 0.10 6 d SP . .
 O(1) O 0.34255(10) 0.49122(10) 0.2500 0.0045(2) Uani 1.00 2 d S . .
 O(2) O 0.59193(10) 0.46571(10) 0.2500 0.0072(2) Uani 1.00 2 d S . .
 O(3) O 0.35279(8) 0.26614(7) 0.06764(9) 0.01179(19) Uani 1.00 1 d . . .


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) 0.0079(2) 0.0079(2) 0.0304(5) 0.00393(13) 0.0000 0.0000
 P(1) 0.00135(17) 0.00042(18) -0.00077(16) 0.00072(13) 0.0000 0.0000
 F(1) 0.050(11) 0.050(11) -0.047(4) 0.025(5) 0.0000 0.0000
 O(1) 0.0096(4) 0.0079(4) 0.0018(4) 0.0088(4) 0.0000 0.0000
 O(2) 0.0043(4) 0.0051(5) 0.0127(5) 0.0028(4) 0.0000 0.0000
 O(3) 0.0245(4) 0.0094(3) 0.0076(3) 0.0130(3) -0.0122(3) -0.0082(2)

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

_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) 3.4323(3) yes . 8_564
Ca(1) Ca(1) 3.3464(3) yes . 8_565
Ca(1) P(1) 3.2176(2) yes . 2_554
Ca(1) P(1) 3.2176(4) yes . 4_664
Ca(1) P(1) 3.2175(3) yes . 6_564
Ca(1) O(1) 2.4107(8) yes . .
Ca(1) O(1) 2.4107(5) yes . 3_665
Ca(1) O(1) 2.4106(7) yes . 5_565
Ca(1) O(2) 2.4505(6) yes . 2_554
Ca(1) O(2) 2.4506(8) yes . 4_664
Ca(1) O(2) 2.4505(5) yes . 6_564
Ca(1) O(3) 2.7979(7) yes . 7_665
Ca(1) O(3) 2.7978(8) yes . 9_565
Ca(1) O(3) 2.7979(5) yes . 11_555
Ca(3) Ca(2) 0.239(17) yes . .
Ca(3) Cl(1) 2.8058(15) yes . .
Ca(3) Cl(1) 3.2619(14) yes . 2_554
Ca(3) Cl(1) 3.2619(14) yes . 7_556
Ca(3) Cl(1) 2.8058(15) yes . 8_555
Ca(3) P(1) 3.1284(11) yes . .
Ca(3) F(1) 2.4936(17) yes . .
Ca(3) O(1) 2.9340(14) yes . 5_555
Ca(3) O(2) 2.2904(16) yes . 3_655
Ca(3) O(3) 2.5527(11) yes . .
Ca(3) O(3) 2.3284(8) yes . 6_555
Ca(3) O(3) 2.3284(8) yes . 9_555
Ca(3) O(3) 2.5527(11) yes . 10_555
Ca(2) Cl(1) 2.614(14) yes . .
Ca(2) Cl(1) 3.098(12) yes . 2_554
Ca(2) Cl(1) 3.098(12) yes . 7_556
Ca(2) Cl(1) 2.614(14) yes . 8_555
Ca(2) P(1) 3.017(10) yes . .
Ca(2) F(1) 2.275(16) yes . .
Ca(2) O(2) 2.453(14) yes . 3_655
Ca(2) O(3) 2.449(8) yes . .
Ca(2) O(3) 2.415(6) yes . 6_555
Ca(2) O(3) 2.415(6) yes . 9_555
Ca(2) O(3) 2.449(8) yes . 10_555
Cl(1) Cl(1) 0.8166(11) yes . 7_556
Cl(1) F(1) 1.2864(8) yes . .
P(1) O(1) 1.5302(12) yes . .
P(1) O(2) 1.5431(9) yes . .
P(1) O(3) 1.5315(6) yes . .
P(1) O(3) 1.5315(6) yes . 10_555

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) 57.768(4) yes 8_564 . 2_554
Ca(1) Ca(1) P(1) 57.766(5) yes 8_564 . 4_664
Ca(1) Ca(1) P(1) 57.767(5) yes 8_564 . 6_564
Ca(1) Ca(1) O(1) 133.951(18) yes 8_564 . .
Ca(1) Ca(1) O(1) 133.952(12) yes 8_564 . 3_665
Ca(1) Ca(1) O(1) 133.955(18) yes 8_564 . 5_565
Ca(1) Ca(1) O(2) 45.549(15) yes 8_564 . 2_554
Ca(1) Ca(1) O(2) 45.547(19) yes 8_564 . 4_664
Ca(1) Ca(1) O(2) 45.547(13) yes 8_564 . 6_564
Ca(1) Ca(1) O(3) 80.120(13) yes 8_564 . 7_665
Ca(1) Ca(1) O(3) 80.122(13) yes 8_564 . 9_565
Ca(1) Ca(1) O(3) 80.122(13) yes 8_564 . 11_555
Ca(1) Ca(1) P(1) 122.234(4) yes 8_565 . 2_554
Ca(1) Ca(1) P(1) 122.231(5) yes 8_565 . 4_664
Ca(1) Ca(1) P(1) 122.234(5) yes 8_565 . 6_564
Ca(1) Ca(1) O(1) 46.047(18) yes 8_565 . .
Ca(1) Ca(1) O(1) 46.046(12) yes 8_565 . 3_665
Ca(1) Ca(1) O(1) 46.048(18) yes 8_565 . 5_565
Ca(1) Ca(1) O(2) 134.454(15) yes 8_565 . 2_554
Ca(1) Ca(1) O(2) 134.450(19) yes 8_565 . 4_664
Ca(1) Ca(1) O(2) 134.452(13) yes 8_565 . 6_564
Ca(1) Ca(1) O(3) 99.877(13) yes 8_565 . 7_665
Ca(1) Ca(1) O(3) 99.880(13) yes 8_565 . 9_565
Ca(1) Ca(1) O(3) 99.879(13) yes 8_565 . 11_555
P(1) Ca(1) P(1) 94.202(9) yes 2_554 . 4_664
P(1) Ca(1) P(1) 94.203(9) yes 2_554 . 6_564
P(1) Ca(1) O(1) 99.199(15) yes 2_554 . .
P(1) Ca(1) O(1) 166.00(2) yes 2_554 . 3_665
P(1) Ca(1) O(1) 88.880(14) yes 2_554 . 5_565
P(1) Ca(1) O(2) 27.59(2) yes 2_554 . 2_554
P(1) Ca(1) O(2) 66.843(19) yes 2_554 . 4_664
P(1) Ca(1) O(2) 99.148(15) yes 2_554 . 6_564
P(1) Ca(1) O(3) 122.498(15) yes 2_554 . 7_665
P(1) Ca(1) O(3) 93.884(14) yes 2_554 . 9_565
P(1) Ca(1) O(3) 28.417(15) yes 2_554 . 11_555
P(1) Ca(1) P(1) 94.202(10) yes 4_664 . 6_564
P(1) Ca(1) O(1) 88.88(2) yes 4_664 . .
P(1) Ca(1) O(1) 99.20(2) yes 4_664 . 3_665
P(1) Ca(1) O(1) 165.99(2) yes 4_664 . 5_565
P(1) Ca(1) O(2) 99.15(2) yes 4_664 . 2_554
P(1) Ca(1) O(2) 27.586(17) yes 4_664 . 4_664
P(1) Ca(1) O(2) 66.84(2) yes 4_664 . 6_564
P(1) Ca(1) O(3) 28.416(12) yes 4_664 . 7_665
P(1) Ca(1) O(3) 122.500(15) yes 4_664 . 9_565
P(1) Ca(1) O(3) 93.881(17) yes 4_664 . 11_555
P(1) Ca(1) O(1) 165.996(16) yes 6_564 . .
P(1) Ca(1) O(1) 88.88(2) yes 6_564 . 3_665
P(1) Ca(1) O(1) 99.20(2) yes 6_564 . 5_565
P(1) Ca(1) O(2) 66.84(2) yes 6_564 . 2_554
P(1) Ca(1) O(2) 99.148(19) yes 6_564 . 4_664
P(1) Ca(1) O(2) 27.59(2) yes 6_564 . 6_564
P(1) Ca(1) O(3) 93.883(15) yes 6_564 . 7_665
P(1) Ca(1) O(3) 28.417(14) yes 6_564 . 9_565
P(1) Ca(1) O(3) 122.500(17) yes 6_564 . 11_555
O(1) Ca(1) O(1) 77.14(2) yes . . 3_665
O(1) Ca(1) O(1) 77.14(3) yes . . 5_565
O(1) Ca(1) O(2) 126.16(2) yes . . 2_554
O(1) Ca(1) O(2) 89.90(2) yes . . 4_664
O(1) Ca(1) O(2) 150.45(3) yes . . 6_564
O(1) Ca(1) O(3) 82.36(2) yes . . 7_665
O(1) Ca(1) O(3) 145.01(2) yes . . 9_565
O(1) Ca(1) O(3) 70.79(2) yes . . 11_555
O(1) Ca(1) O(1) 77.14(2) yes 3_665 . 5_565
O(1) Ca(1) O(2) 150.46(3) yes 3_665 . 2_554
O(1) Ca(1) O(2) 126.15(3) yes 3_665 . 4_664
O(1) Ca(1) O(2) 89.901(17) yes 3_665 . 6_564
O(1) Ca(1) O(3) 70.79(2) yes 3_665 . 7_665
O(1) Ca(1) O(3) 82.36(2) yes 3_665 . 9_565
O(1) Ca(1) O(3) 145.00(2) yes 3_665 . 11_555
O(1) Ca(1) O(2) 89.90(2) yes 5_565 . 2_554
O(1) Ca(1) O(2) 150.45(2) yes 5_565 . 4_664
O(1) Ca(1) O(2) 126.16(3) yes 5_565 . 6_564
O(1) Ca(1) O(3) 145.00(2) yes 5_565 . 7_665
O(1) Ca(1) O(3) 70.79(2) yes 5_565 . 9_565
O(1) Ca(1) O(3) 82.36(2) yes 5_565 . 11_555
O(2) Ca(1) O(2) 76.37(3) yes 2_554 . 4_664
O(2) Ca(1) O(2) 76.37(2) yes 2_554 . 6_564
O(2) Ca(1) O(3) 125.04(2) yes 2_554 . 7_665
O(2) Ca(1) O(3) 68.25(2) yes 2_554 . 9_565
O(2) Ca(1) O(3) 55.66(2) yes 2_554 . 11_555
O(2) Ca(1) O(2) 76.37(2) yes 4_664 . 6_564
O(2) Ca(1) O(3) 55.66(2) yes 4_664 . 7_665
O(2) Ca(1) O(3) 125.04(2) yes 4_664 . 9_565
O(2) Ca(1) O(3) 68.25(2) yes 4_664 . 11_555
O(2) Ca(1) O(3) 68.25(2) yes 6_564 . 7_665
O(2) Ca(1) O(3) 55.66(2) yes 6_564 . 9_565
O(2) Ca(1) O(3) 125.042(19) yes 6_564 . 11_555
O(3) Ca(1) O(3) 117.120(18) yes 7_665 . 9_565
O(3) Ca(1) O(3) 117.12(2) yes 7_665 . 11_555
O(3) Ca(1) O(3) 117.12(2) yes 9_565 . 11_555
Ca(2) Ca(3) Cl(1) 35.2(13) yes . . .
Ca(2) Ca(3) Cl(1) 45.3(9) yes . . 2_554
Ca(2) Ca(3) Cl(1) 45.3(9) yes . . 7_556
Ca(2) Ca(3) Cl(1) 35.2(13) yes . . 8_555
Ca(2) Ca(3) P(1) 60(2) yes . . .
Ca(2) Ca(3) F(1) 23(2) yes . . .
Ca(2) Ca(3) O(1) 124(2) yes . . 5_555
Ca(2) Ca(3) O(2) 130(2) yes . . 3_655
Ca(2) Ca(3) O(3) 62.0(18) yes . . .
Ca(2) Ca(3) O(3) 108.4(4) yes . . 6_555
Ca(2) Ca(3) O(3) 108.4(4) yes . . 9_555
Ca(2) Ca(3) O(3) 62.0(18) yes . . 10_555
Cl(1) Ca(3) Cl(1) 67.43(4) yes . . 2_554
Cl(1) Ca(3) Cl(1) 12.854(18) yes . . 7_556
Cl(1) Ca(3) Cl(1) 54.58(3) yes . . 8_555
Cl(1) Ca(3) P(1) 84.19(3) yes . . .
Cl(1) Ca(3) F(1) 27.29(2) yes . . .
Cl(1) Ca(3) O(1) 99.88(3) yes . . 5_555
Cl(1) Ca(3) O(2) 142.73(3) yes . . 3_655
Cl(1) Ca(3) O(3) 95.51(5) yes . . .
Cl(1) Ca(3) O(3) 76.09(3) yes . . 6_555
Cl(1) Ca(3) O(3) 127.41(5) yes . . 9_555
Cl(1) Ca(3) O(3) 69.64(3) yes . . 10_555
Cl(1) Ca(3) Cl(1) 80.29(4) yes 2_554 . 7_556
Cl(1) Ca(3) Cl(1) 12.854(18) yes 2_554 . 8_555
Cl(1) Ca(3) P(1) 85.01(3) yes 2_554 . .
Cl(1) Ca(3) F(1) 40.14(2) yes 2_554 . .
Cl(1) Ca(3) O(1) 98.49(2) yes 2_554 . 5_555
Cl(1) Ca(3) O(2) 133.20(2) yes 2_554 . 3_655
Cl(1) Ca(3) O(3) 65.13(3) yes 2_554 . .
Cl(1) Ca(3) O(3) 138.95(5) yes 2_554 . 6_555
Cl(1) Ca(3) O(3) 64.01(3) yes 2_554 . 9_555
Cl(1) Ca(3) O(3) 101.76(5) yes 2_554 . 10_555
Cl(1) Ca(3) Cl(1) 67.43(4) yes 7_556 . 8_555
Cl(1) Ca(3) P(1) 85.01(3) yes 7_556 . .
Cl(1) Ca(3) F(1) 40.14(2) yes 7_556 . .
Cl(1) Ca(3) O(1) 98.49(2) yes 7_556 . 5_555
Cl(1) Ca(3) O(2) 133.20(2) yes 7_556 . 3_655
Cl(1) Ca(3) O(3) 101.76(5) yes 7_556 . .
Cl(1) Ca(3) O(3) 64.01(3) yes 7_556 . 6_555
Cl(1) Ca(3) O(3) 138.95(5) yes 7_556 . 9_555
Cl(1) Ca(3) O(3) 65.13(3) yes 7_556 . 10_555
Cl(1) Ca(3) P(1) 84.19(3) yes 8_555 . .
Cl(1) Ca(3) F(1) 27.29(2) yes 8_555 . .
Cl(1) Ca(3) O(1) 99.88(3) yes 8_555 . 5_555
Cl(1) Ca(3) O(2) 142.73(3) yes 8_555 . 3_655
Cl(1) Ca(3) O(3) 69.64(3) yes 8_555 . .
Cl(1) Ca(3) O(3) 127.41(5) yes 8_555 . 6_555
Cl(1) Ca(3) O(3) 76.09(3) yes 8_555 . 9_555
Cl(1) Ca(3) O(3) 95.51(5) yes 8_555 . 10_555
P(1) Ca(3) F(1) 83.46(4) yes . . .
P(1) Ca(3) O(1) 175.41(6) yes . . 5_555
P(1) Ca(3) O(2) 70.11(3) yes . . 3_655
P(1) Ca(3) O(3) 29.085(17) yes . . .
P(1) Ca(3) O(3) 109.94(2) yes . . 6_555
P(1) Ca(3) O(3) 109.94(2) yes . . 9_555
P(1) Ca(3) O(3) 29.085(17) yes . . 10_555
F(1) Ca(3) O(1) 101.13(3) yes . . 5_555
F(1) Ca(3) O(2) 153.57(6) yes . . 3_655
F(1) Ca(3) O(3) 81.85(5) yes . . .
F(1) Ca(3) O(3) 101.92(4) yes . . 6_555
F(1) Ca(3) O(3) 101.92(4) yes . . 9_555
F(1) Ca(3) O(3) 81.85(5) yes . . 10_555
O(1) Ca(3) O(2) 105.30(6) yes 5_555 . 3_655
O(1) Ca(3) O(3) 150.99(2) yes 5_555 . .
O(1) Ca(3) O(3) 69.30(3) yes 5_555 . 6_555
O(1) Ca(3) O(3) 69.30(3) yes 5_555 . 9_555
O(1) Ca(3) O(3) 150.99(2) yes 5_555 . 10_555
O(2) Ca(3) O(3) 75.08(3) yes 3_655 . .
O(2) Ca(3) O(3) 87.55(4) yes 3_655 . 6_555
O(2) Ca(3) O(3) 87.55(4) yes 3_655 . 9_555
O(2) Ca(3) O(3) 75.08(3) yes 3_655 . 10_555
O(3) Ca(3) O(3) 138.85(3) yes . . 6_555
O(3) Ca(3) O(3) 81.80(2) yes . . 9_555
O(3) Ca(3) O(3) 57.93(3) yes . . 10_555
O(3) Ca(3) O(3) 135.26(7) yes 6_555 . 9_555
O(3) Ca(3) O(3) 81.80(2) yes 6_555 . 10_555
O(3) Ca(3) O(3) 138.85(3) yes 9_555 . 10_555
Ca(3) Ca(2) Cl(1) 141.8(14) yes . . .
Ca(3) Ca(2) Cl(1) 131.5(9) yes . . 2_554
Ca(3) Ca(2) Cl(1) 131.5(9) yes . . 7_556
Ca(3) Ca(2) Cl(1) 141.8(14) yes . . 8_555
Ca(3) Ca(2) P(1) 116(2) yes . . .
Ca(3) Ca(2) F(1) 155(2) yes . . .
Ca(3) Ca(2) O(2) 45(2) yes . . 3_655
Ca(3) Ca(2) O(3) 113(2) yes . . .
Ca(3) Ca(2) O(3) 66.2(5) yes . . 6_555
Ca(3) Ca(2) O(3) 66.2(5) yes . . 9_555
Ca(3) Ca(2) O(3) 113(2) yes . . 10_555
Cl(1) Ca(2) Cl(1) 72.2(3) yes . . 2_554
Cl(1) Ca(2) Cl(1) 13.26(3) yes . . 7_556
Cl(1) Ca(2) Cl(1) 59.0(3) yes . . 8_555
Cl(1) Ca(2) P(1) 89.8(4) yes . . .
Cl(1) Ca(2) F(1) 29.48(17) yes . . .
Cl(1) Ca(2) O(2) 145.0(2) yes . . 3_655
Cl(1) Ca(2) O(3) 103.2(5) yes . . .
Cl(1) Ca(2) O(3) 78.53(19) yes . . 6_555
Cl(1) Ca(2) O(3) 132.8(4) yes . . 9_555
Cl(1) Ca(2) O(3) 74.5(3) yes . . 10_555
Cl(1) Ca(2) Cl(1) 85.5(4) yes 2_554 . 7_556
Cl(1) Ca(2) Cl(1) 13.26(3) yes 2_554 . 8_555
Cl(1) Ca(2) P(1) 89.8(3) yes 2_554 . .
Cl(1) Ca(2) F(1) 42.7(2) yes 2_554 . .
Cl(1) Ca(2) O(2) 133.70(16) yes 2_554 . 3_655
Cl(1) Ca(2) O(3) 69.0(2) yes 2_554 . .
Cl(1) Ca(2) O(3) 143.9(4) yes 2_554 . 6_555
Cl(1) Ca(2) O(3) 66.25(16) yes 2_554 . 9_555
Cl(1) Ca(2) O(3) 109.0(5) yes 2_554 . 10_555
Cl(1) Ca(2) Cl(1) 72.2(3) yes 7_556 . 8_555
Cl(1) Ca(2) P(1) 89.8(3) yes 7_556 . .
Cl(1) Ca(2) F(1) 42.7(2) yes 7_556 . .
Cl(1) Ca(2) O(2) 133.70(16) yes 7_556 . 3_655
Cl(1) Ca(2) O(3) 109.0(5) yes 7_556 . .
Cl(1) Ca(2) O(3) 66.25(16) yes 7_556 . 6_555
Cl(1) Ca(2) O(3) 143.9(4) yes 7_556 . 9_555
Cl(1) Ca(2) O(3) 69.0(2) yes 7_556 . 10_555
Cl(1) Ca(2) P(1) 89.8(4) yes 8_555 . .
Cl(1) Ca(2) F(1) 29.48(17) yes 8_555 . .
Cl(1) Ca(2) O(2) 145.0(2) yes 8_555 . 3_655
Cl(1) Ca(2) O(3) 74.5(3) yes 8_555 . .
Cl(1) Ca(2) O(3) 132.8(4) yes 8_555 . 6_555
Cl(1) Ca(2) O(3) 78.53(19) yes 8_555 . 9_555
Cl(1) Ca(2) O(3) 103.2(5) yes 8_555 . 10_555
P(1) Ca(2) F(1) 89.8(4) yes . . .
P(1) Ca(2) O(2) 70.4(2) yes . . 3_655
P(1) Ca(2) O(3) 30.33(12) yes . . .
P(1) Ca(2) O(3) 111.1(2) yes . . 6_555
P(1) Ca(2) O(3) 111.1(2) yes . . 9_555
P(1) Ca(2) O(3) 30.33(12) yes . . 10_555
F(1) Ca(2) O(2) 160.2(5) yes . . 3_655
F(1) Ca(2) O(3) 88.7(5) yes . . .
F(1) Ca(2) O(3) 106.0(3) yes . . 6_555
F(1) Ca(2) O(3) 106.0(3) yes . . 9_555
F(1) Ca(2) O(3) 88.7(5) yes . . 10_555
O(2) Ca(2) O(3) 74.2(2) yes 3_655 . .
O(2) Ca(2) O(3) 82.1(4) yes 3_655 . 6_555
O(2) Ca(2) O(3) 82.1(4) yes 3_655 . 9_555
O(2) Ca(2) O(3) 74.2(2) yes 3_655 . 10_555
O(3) Ca(2) O(3) 140.0(3) yes . . 6_555
O(3) Ca(2) O(3) 82.29(10) yes . . 9_555
O(3) Ca(2) O(3) 60.6(2) yes . . 10_555
O(3) Ca(2) O(3) 126.2(6) yes 6_555 . 9_555
O(3) Ca(2) O(3) 82.29(10) yes 6_555 . 10_555
O(3) Ca(2) O(3) 140.0(3) yes 9_555 . 10_555
Ca(3) Cl(1) Ca(3) 87.47(3) yes . . 2_555
Ca(3) Cl(1) Ca(3) 100.64(4) yes . . 3_555
Ca(3) Cl(1) Ca(3) 167.15(3) yes . . 4_555
Ca(3) Cl(1) Ca(3) 100.64(3) yes . . 5_555
Ca(3) Cl(1) Ca(3) 87.47(3) yes . . 6_555
Ca(3) Cl(1) Ca(2) 3.0(2) yes . . .
Ca(3) Cl(1) Ca(2) 90.5(2) yes . . 2_555
Ca(3) Cl(1) Ca(2) 100.9(2) yes . . 3_555
Ca(3) Cl(1) Ca(2) 164.4(2) yes . . 4_555
Ca(3) Cl(1) Ca(2) 97.7(3) yes . . 5_555
Ca(3) Cl(1) Ca(2) 87.8(2) yes . . 6_555
Ca(3) Cl(1) Cl(1) 117.29(2) yes . . 7_556
Ca(3) Cl(1) F(1) 62.71(2) yes . . .
Ca(3) Cl(1) Ca(3) 87.47(2) yes 2_555 . 3_555
Ca(3) Cl(1) Ca(3) 82.91(3) yes 2_555 . 4_555
Ca(3) Cl(1) Ca(3) 167.15(2) yes 2_555 . 5_555
Ca(3) Cl(1) Ca(3) 82.91(2) yes 2_555 . 6_555
Ca(3) Cl(1) Ca(2) 87.77(15) yes 2_555 . .
Ca(3) Cl(1) Ca(2) 3.2(2) yes 2_555 . 2_555
Ca(3) Cl(1) Ca(2) 90.50(16) yes 2_555 . 3_555
Ca(3) Cl(1) Ca(2) 82.12(16) yes 2_555 . 4_555
Ca(3) Cl(1) Ca(2) 169.17(10) yes 2_555 . 5_555
Ca(3) Cl(1) Ca(2) 79.79(14) yes 2_555 . 6_555
Ca(3) Cl(1) Cl(1) 49.857(15) yes 2_555 . 7_556
Ca(3) Cl(1) F(1) 130.143(15) yes 2_555 . .
Ca(3) Cl(1) Ca(3) 87.47(3) yes 3_555 . 4_555
Ca(3) Cl(1) Ca(3) 100.64(3) yes 3_555 . 5_555
Ca(3) Cl(1) Ca(3) 167.15(3) yes 3_555 . 6_555
Ca(3) Cl(1) Ca(2) 97.7(2) yes 3_555 . .
Ca(3) Cl(1) Ca(2) 87.8(2) yes 3_555 . 2_555
Ca(3) Cl(1) Ca(2) 3.03(15) yes 3_555 . 3_555
Ca(3) Cl(1) Ca(2) 90.5(2) yes 3_555 . 4_555
Ca(3) Cl(1) Ca(2) 100.9(2) yes 3_555 . 5_555
Ca(3) Cl(1) Ca(2) 164.42(16) yes 3_555 . 6_555
Ca(3) Cl(1) Cl(1) 117.288(19) yes 3_555 . 7_556
Ca(3) Cl(1) F(1) 62.712(19) yes 3_555 . .
Ca(3) Cl(1) Ca(3) 87.47(3) yes 4_555 . 5_555
Ca(3) Cl(1) Ca(3) 82.91(3) yes 4_555 . 6_555
Ca(3) Cl(1) Ca(2) 169.17(16) yes 4_555 . .
Ca(3) Cl(1) Ca(2) 79.8(2) yes 4_555 . 2_555
Ca(3) Cl(1) Ca(2) 87.8(2) yes 4_555 . 3_555
Ca(3) Cl(1) Ca(2) 3.2(2) 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) 82.1(2) yes 4_555 . 6_555
Ca(3) Cl(1) Cl(1) 49.86(2) yes 4_555 . 7_556
Ca(3) Cl(1) F(1) 130.14(2) yes 4_555 . .
Ca(3) Cl(1) Ca(3) 87.47(2) yes 5_555 . 6_555
Ca(3) Cl(1) Ca(2) 100.87(16) yes 5_555 . .
Ca(3) Cl(1) Ca(2) 164.42(13) yes 5_555 . 2_555
Ca(3) Cl(1) Ca(2) 97.65(19) yes 5_555 . 3_555
Ca(3) Cl(1) Ca(2) 87.81(15) yes 5_555 . 4_555
Ca(3) Cl(1) Ca(2) 3.0(2) yes 5_555 . 5_555
Ca(3) Cl(1) Ca(2) 90.49(16) yes 5_555 . 6_555
Ca(3) Cl(1) Cl(1) 117.288(17) yes 5_555 . 7_556
Ca(3) Cl(1) F(1) 62.712(17) yes 5_555 . .
Ca(3) Cl(1) Ca(2) 90.5(2) yes 6_555 . .
Ca(3) Cl(1) Ca(2) 82.1(2) yes 6_555 . 2_555
Ca(3) Cl(1) Ca(2) 169.17(18) yes 6_555 . 3_555
Ca(3) Cl(1) Ca(2) 79.8(2) yes 6_555 . 4_555
Ca(3) Cl(1) Ca(2) 87.8(2) yes 6_555 . 5_555
Ca(3) Cl(1) Ca(2) 3.15(14) yes 6_555 . 6_555
Ca(3) Cl(1) Cl(1) 49.857(19) yes 6_555 . 7_556
Ca(3) Cl(1) F(1) 130.143(19) yes 6_555 . .
Ca(2) Cl(1) Ca(2) 90.8(3) yes . . 2_555
Ca(2) Cl(1) Ca(2) 97.9(3) yes . . 3_555
Ca(2) Cl(1) Ca(2) 166.7(2) yes . . 4_555
Ca(2) Cl(1) Ca(2) 97.9(3) yes . . 5_555
Ca(2) Cl(1) Ca(2) 90.8(3) yes . . 6_555
Ca(2) Cl(1) Cl(1) 119.48(17) yes . . 7_556
Ca(2) Cl(1) F(1) 60.52(17) yes . . .
Ca(2) Cl(1) Ca(2) 90.8(2) yes 2_555 . 3_555
Ca(2) Cl(1) Ca(2) 79.0(2) yes 2_555 . 4_555
Ca(2) Cl(1) Ca(2) 166.74(15) yes 2_555 . 5_555
Ca(2) Cl(1) Ca(2) 79.0(2) yes 2_555 . 6_555
Ca(2) Cl(1) Cl(1) 47.25(11) yes 2_555 . 7_556
Ca(2) Cl(1) F(1) 132.75(11) yes 2_555 . .
Ca(2) Cl(1) Ca(2) 90.8(3) yes 3_555 . 4_555
Ca(2) Cl(1) Ca(2) 97.9(3) yes 3_555 . 5_555
Ca(2) Cl(1) Ca(2) 166.7(2) yes 3_555 . 6_555
Ca(2) Cl(1) Cl(1) 119.48(15) yes 3_555 . 7_556
Ca(2) Cl(1) F(1) 60.52(15) yes 3_555 . .
Ca(2) Cl(1) Ca(2) 90.8(3) yes 4_555 . 5_555
Ca(2) Cl(1) Ca(2) 79.0(3) yes 4_555 . 6_555
Ca(2) Cl(1) Cl(1) 47.3(2) yes 4_555 . 7_556
Ca(2) Cl(1) F(1) 132.7(2) yes 4_555 . .
Ca(2) Cl(1) Ca(2) 90.8(2) yes 5_555 . 6_555
Ca(2) Cl(1) Cl(1) 119.48(10) yes 5_555 . 7_556
Ca(2) Cl(1) F(1) 60.52(10) yes 5_555 . .
Ca(2) Cl(1) Cl(1) 47.25(17) yes 6_555 . 7_556
Ca(2) Cl(1) F(1) 132.75(17) yes 6_555 . .
Cl(1) Cl(1) F(1) 180.0000 yes 7_556 . .
Ca(1) P(1) Ca(1) 64.466(10) yes 2_655 . 7_665
Ca(1) P(1) Ca(3) 78.01(2) yes 2_655 . .
Ca(1) P(1) Ca(2) 81.3(2) yes 2_655 . .
Ca(1) P(1) O(1) 135.696(19) yes 2_655 . .
Ca(1) P(1) O(2) 47.34(2) yes 2_655 . .
Ca(1) P(1) O(3) 111.52(3) yes 2_655 . .
Ca(1) P(1) O(3) 60.38(3) yes 2_655 . 10_555
Ca(1) P(1) Ca(3) 78.01(2) yes 7_665 . .
Ca(1) P(1) Ca(2) 81.3(2) yes 7_665 . .
Ca(1) P(1) O(1) 135.696(19) yes 7_665 . .
Ca(1) P(1) O(2) 47.34(2) yes 7_665 . .
Ca(1) P(1) O(3) 60.39(3) yes 7_665 . .
Ca(1) P(1) O(3) 111.52(3) yes 7_665 . 10_555
Ca(3) P(1) Ca(2) 4.0(3) yes . . .
Ca(3) P(1) O(1) 136.43(4) yes . . .
Ca(3) P(1) O(2) 112.55(5) yes . . .
Ca(3) P(1) O(3) 54.12(2) yes . . .
Ca(3) P(1) O(3) 54.12(2) yes . . 10_555
Ca(2) P(1) O(1) 132.5(3) yes . . .
Ca(2) P(1) O(2) 116.5(3) yes . . .
Ca(2) P(1) O(3) 53.87(2) yes . . .
Ca(2) P(1) O(3) 53.87(2) yes . . 10_555
O(1) P(1) O(2) 111.02(5) yes . . .
O(1) P(1) O(3) 112.08(3) yes . . .
O(1) P(1) O(3) 112.08(3) yes . . 10_555
O(2) P(1) O(3) 106.87(3) yes . . .
O(2) P(1) O(3) 106.87(3) yes . . 10_555
O(3) P(1) O(3) 107.64(3) yes . . 10_555
Ca(3) F(1) Ca(3) 120.00(3) yes . . 3_555
Ca(3) F(1) Ca(3) 120.00(4) yes . . 5_555
Ca(3) F(1) Ca(2) 2.4(2) yes . . .
Ca(3) F(1) Ca(2) 122.4(3) yes . . 3_555
Ca(3) F(1) Ca(2) 117.6(4) 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(5) yes 3_555 . 5_555
Ca(3) F(1) Ca(2) 117.6(2) yes 3_555 . .
Ca(3) F(1) Ca(2) 2.4(3) yes 3_555 . 3_555
Ca(3) F(1) Ca(2) 122.4(4) 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) 122.4(2) yes 5_555 . .
Ca(3) F(1) Ca(2) 117.6(3) yes 5_555 . 3_555
Ca(3) F(1) Ca(2) 2.4(4) 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(4) yes . . 3_555
Ca(2) F(1) Ca(2) 120.0(4) 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(1) 87.91(3) yes . . 8_565
Ca(1) O(1) Ca(3) 96.47(3) yes . . 3_555
Ca(1) O(1) P(1) 133.21(2) yes . . .
Ca(1) O(1) Ca(3) 96.47(3) yes 8_565 . 3_555
Ca(1) O(1) P(1) 133.21(2) yes 8_565 . .
Ca(3) O(1) P(1) 98.98(4) yes 3_555 . .
Ca(1) O(2) Ca(1) 88.90(3) yes 2_655 . 7_665
Ca(1) O(2) Ca(3) 114.79(3) 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) 105.07(3) yes 2_655 . .
Ca(1) O(2) Ca(3) 114.79(3) 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) 105.07(3) yes 7_665 . .
Ca(3) O(2) Ca(2) 4.3(4) yes 5_665 . 5_665
Ca(3) O(2) P(1) 122.66(7) yes 5_665 . .
Ca(2) O(2) P(1) 126.9(4) yes 5_665 . .
Ca(1) O(3) Ca(3) 96.49(4) yes 7_665 . .
Ca(1) O(3) Ca(3) 102.25(4) yes 7_665 . 2_554
Ca(1) O(3) Ca(2) 101.4(3) yes 7_665 . .
Ca(1) O(3) Ca(2) 107.0(3) yes 7_665 . 2_554
Ca(1) O(3) P(1) 91.20(3) yes 7_665 . .
Ca(3) O(3) Ca(3) 119.03(3) yes . . 2_554
Ca(3) O(3) Ca(2) 5.0(3) yes . . .
Ca(3) O(3) Ca(2) 115.3(2) yes . . 2_554
Ca(3) O(3) P(1) 96.79(3) yes . . .
Ca(3) O(3) Ca(2) 118.18(16) yes 2_554 . .
Ca(3) O(3) Ca(2) 5.4(2) yes 2_554 . 2_554
Ca(3) O(3) P(1) 139.38(5) yes 2_554 . .
Ca(2) O(3) Ca(2) 114.1(2) yes . . 2_554
Ca(2) O(3) P(1) 95.79(12) yes . . .
Ca(2) O(3) P(1) 140.1(3) yes 2_554 . .

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) 82.306(10) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) Ca(2) 84.49(9) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(1) -130.24(4) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(2) -54.48(4) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(3) 39.01(3) ? 8_564 . 2_554 2_554
P(1) Ca(1) Ca(1) P(1) -119.999(11) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) P(1) 120.000(12) ? 2_554 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) 31.87(3) ? 2_554 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) -88.13(2) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) 151.87(3) ? 2_554 . 8_564 6_564
P(1) Ca(1) Ca(1) O(3) -18.98(2) ? 2_554 . 8_564 2_554
P(1) Ca(1) Ca(1) O(3) -138.985(16) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) O(3) 101.014(15) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) 82.306(18) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) Ca(2) 84.49(17) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) -130.24(3) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(2) -54.48(4) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) 39.01(2) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) 137.66(3) ? 8_564 . 4_664 7_665
P(1) Ca(1) Ca(1) P(1) 119.999(11) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) P(1) -120.001(9) ? 4_664 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) 151.87(3) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) 31.87(2) ? 4_664 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) -88.13(3) ? 4_664 . 8_564 6_564
P(1) Ca(1) Ca(1) O(3) 101.014(19) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) O(3) -18.986(15) ? 4_664 . 8_564 4_664
P(1) Ca(1) Ca(1) O(3) -138.987(13) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) 82.308(15) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) Ca(2) 84.49(14) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(1) -130.24(5) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(2) -54.48(2) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(3) 39.01(3) ? 8_564 . 6_564 6_564
P(1) Ca(1) Ca(1) P(1) -120.000(12) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) P(1) 120.001(9) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) -88.13(3) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) 151.87(2) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) 31.87(3) ? 6_564 . 8_564 6_564
P(1) Ca(1) Ca(1) O(3) -138.985(19) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) O(3) 101.015(15) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(3) -18.986(14) ? 6_564 . 8_564 6_564
Ca(1) Ca(1) O(1) Ca(1) 179.996182(2) ? 8_564 . . 8_565
Ca(1) Ca(1) O(1) P(1) 25.07(6) ? 8_564 . . .
Ca(1) Ca(1) O(1) Ca(3) -83.72(3) ? 8_564 . . 3_555
O(1) Ca(1) Ca(1) P(1) 69.80(2) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) -50.20(2) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) -170.20(2) ? . . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) 101.67(4) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) -18.33(3) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) -138.33(4) ? . . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) 50.81(3) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) -69.19(3) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) 170.81(2) ? . . 8_564 6_564
Ca(1) Ca(1) O(1) Ca(1) -179.995982(2) ? 8_564 . 3_665 8_565
Ca(1) Ca(1) O(1) P(1) 25.07(10) ? 8_564 . 3_665 3_665
O(1) Ca(1) Ca(1) P(1) -170.21(4) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) 69.79(3) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) -50.21(3) ? 3_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) -138.34(5) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) 101.66(4) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) -18.34(5) ? 3_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) 170.81(4) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) 50.81(4) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) -69.19(4) ? 3_665 . 8_564 6_564
Ca(1) Ca(1) O(1) P(1) 25.07(9) ? 8_564 . 5_565 5_565
O(1) Ca(1) Ca(1) P(1) -50.20(2) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) -170.20(2) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) 69.80(2) ? 5_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) -18.33(4) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) -138.33(3) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) 101.67(4) ? 5_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) -69.19(3) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) 170.81(3) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) 50.81(3) ? 5_565 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.32(5) ? 8_564 . 2_554 2_554
O(2) Ca(1) Ca(1) P(1) -31.87(3) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) -151.87(3) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) 88.13(3) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(4) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(2) 120.00(4) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(3) -50.86(3) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) -170.86(3) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) 69.14(3) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.32(4) ? 8_564 . 4_664 4_664
O(2) Ca(1) Ca(1) P(1) 88.13(2) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) -31.87(2) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) -151.87(2) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) 120.00(4) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) -120.00(4) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(3) 69.14(2) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) -50.86(2) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -170.86(2) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.32(3) ? 8_564 . 6_564 6_564
O(2) Ca(1) Ca(1) P(1) -151.87(3) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) 88.13(3) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) -31.87(3) ? 6_564 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(4) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) 120.00(4) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -170.86(4) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) 69.14(3) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -50.86(3) ? 6_564 . 8_564 6_564
O(3) Ca(1) Ca(1) P(1) 138.985(16) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) 18.986(15) ? 7_665 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) -101.015(15) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) 170.86(3) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) 50.86(2) ? 7_665 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) -69.14(3) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) 120.00(2) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) -120.002(18) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) P(1) -101.015(15) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) 138.986(13) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) 18.985(14) ? 9_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) -69.14(3) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) 170.86(2) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) 50.86(3) ? 9_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) -120.00(2) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) 120.000(18) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(3) -0.001(15) ? 9_565 . 8_564 6_564
Ca(1) Ca(1) O(3) Ca(3) 61.65(2) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(3) Ca(2) 60.8(2) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(3) P(1) -35.33(3) ? 8_564 . 11_555 2_554
O(3) Ca(1) Ca(1) P(1) 18.99(2) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) -101.013(19) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) 138.986(19) ? 11_555 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) 50.86(3) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) -69.14(2) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) 170.86(4) ? 11_555 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) 0.00(2) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) -120.00(2) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) O(3) 120.00(2) ? 11_555 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) -97.691(10) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) Ca(2) -95.51(9) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(1) 49.76(4) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(2) 125.52(4) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(3) -140.99(3) ? 8_565 . 2_554 2_554
P(1) Ca(1) Ca(1) O(1) 69.79(2) ? 2_554 . 8_565 .
P(1) Ca(1) Ca(1) O(1) -170.21(4) ? 2_554 . 8_565 3_665
P(1) Ca(1) Ca(1) O(1) -50.21(2) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) P(1) Ca(3) -97.693(18) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) Ca(2) -95.51(17) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) 49.76(3) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(2) 125.52(4) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) -140.99(2) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) -42.34(3) ? 8_565 . 4_664 7_665
P(1) Ca(1) Ca(1) O(1) -50.21(2) ? 4_664 . 8_565 .
P(1) Ca(1) Ca(1) O(1) 69.79(3) ? 4_664 . 8_565 3_665
P(1) Ca(1) Ca(1) O(1) -170.20(2) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) P(1) Ca(3) -97.696(15) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) Ca(2) -95.52(14) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(1) 49.75(5) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(2) 125.52(2) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(3) -141.00(3) ? 8_565 . 6_564 6_564
P(1) Ca(1) Ca(1) O(1) -170.20(2) ? 6_564 . 8_565 .
P(1) Ca(1) Ca(1) O(1) -50.20(3) ? 6_564 . 8_565 3_665
P(1) Ca(1) Ca(1) O(1) 69.80(2) ? 6_564 . 8_565 5_565
Ca(1) Ca(1) O(1) P(1) -154.93(6) ? 8_565 . . .
Ca(1) Ca(1) O(1) Ca(3) 96.28(3) ? 8_565 . . 3_555
O(1) Ca(1) Ca(1) O(1) 120.00(4) ? . . 8_565 3_665
O(1) Ca(1) Ca(1) O(1) -120.00(3) ? . . 8_565 5_565
Ca(1) Ca(1) O(1) P(1) -154.93(10) ? 8_565 . 3_665 3_665
O(1) Ca(1) Ca(1) O(1) -120.00(4) ? 3_665 . 8_565 .
O(1) Ca(1) Ca(1) O(1) 120.00(4) ? 3_665 . 8_565 5_565
Ca(1) Ca(1) O(1) P(1) -154.93(9) ? 8_565 . 5_565 5_565
O(1) Ca(1) Ca(1) O(1) 120.00(3) ? 5_565 . 8_565 .
O(1) Ca(1) Ca(1) O(1) -120.00(4) ? 5_565 . 8_565 3_665
Ca(1) Ca(1) O(2) P(1) -74.68(5) ? 8_565 . 2_554 2_554
O(2) Ca(1) Ca(1) O(1) 101.66(4) ? 2_554 . 8_565 .
O(2) Ca(1) Ca(1) O(1) -138.34(5) ? 2_554 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) -18.33(4) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.68(4) ? 8_565 . 4_664 4_664
O(2) Ca(1) Ca(1) O(1) -18.34(3) ? 4_664 . 8_565 .
O(2) Ca(1) Ca(1) O(1) 101.66(4) ? 4_664 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) -138.33(3) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.69(3) ? 8_565 . 6_564 6_564
O(2) Ca(1) Ca(1) O(1) -138.33(4) ? 6_564 . 8_565 .
O(2) Ca(1) Ca(1) O(1) -18.33(5) ? 6_564 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) 101.67(4) ? 6_564 . 8_565 5_565
O(3) Ca(1) Ca(1) O(1) -69.19(3) ? 7_665 . 8_565 .
O(3) Ca(1) Ca(1) O(1) 50.81(4) ? 7_665 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) 170.81(3) ? 7_665 . 8_565 5_565
O(3) Ca(1) Ca(1) O(1) 170.81(2) ? 9_565 . 8_565 .
O(3) Ca(1) Ca(1) O(1) -69.19(4) ? 9_565 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) 50.81(3) ? 9_565 . 8_565 5_565
Ca(1) Ca(1) O(3) Ca(3) -118.35(2) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(3) Ca(2) -119.2(2) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(3) P(1) 144.67(3) ? 8_565 . 11_555 2_554
O(3) Ca(1) Ca(1) O(1) 50.81(3) ? 11_555 . 8_565 .
O(3) Ca(1) Ca(1) O(1) 170.81(4) ? 11_555 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) -69.19(3) ? 11_555 . 8_565 5_565
P(1) Ca(1) P(1) Ca(3) 129.575(18) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) Ca(2) 131.76(17) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(1) -82.98(3) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(2) -7.21(4) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(3) 86.28(2) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(3) -175.07(3) ? 2_554 . 4_664 7_665
P(1) Ca(1) P(1) Ca(3) 35.038(11) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) Ca(2) 37.22(9) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(1) -177.51(4) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(2) -101.75(4) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(3) -8.26(3) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) Ca(3) 35.040(17) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) Ca(2) 37.22(14) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(1) -177.51(5) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(2) -101.75(2) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(3) -8.26(3) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) Ca(3) 129.574(12) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) Ca(2) 131.75(9) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(1) -82.98(4) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(2) -7.21(4) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(3) 86.27(3) ? 6_564 . 2_554 2_554
P(1) Ca(1) O(1) Ca(1) -126.472(17) ? 2_554 . . 8_565
P(1) Ca(1) O(1) P(1) 78.60(5) ? 2_554 . . .
P(1) Ca(1) O(1) Ca(3) -30.19(3) ? 2_554 . . 3_555
O(1) Ca(1) P(1) Ca(3) -54.50(2) ? . . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) -52.32(10) ? . . 2_554 2_554
O(1) Ca(1) P(1) O(1) 92.95(5) ? . . 2_554 2_554
O(1) Ca(1) P(1) O(2) 168.71(4) ? . . 2_554 2_554
O(1) Ca(1) P(1) O(3) -97.80(4) ? . . 2_554 2_554
P(1) Ca(1) O(1) Ca(1) 36.48(12) ? 2_554 . 3_665 8_565
P(1) Ca(1) O(1) P(1) -118.45(6) ? 2_554 . 3_665 3_665
O(1) Ca(1) P(1) Ca(3) -128.09(10) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) -125.91(14) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(1) O(1) 19.36(12) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(1) O(2) 95.13(10) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(1) O(3) -171.39(10) ? 3_665 . 2_554 2_554
P(1) Ca(1) O(1) Ca(1) 139.45(2) ? 2_554 . 5_565 8_565
P(1) Ca(1) O(1) P(1) -15.48(7) ? 2_554 . 5_565 5_565
O(1) Ca(1) P(1) Ca(3) -131.28(2) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) -129.10(10) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(1) O(1) 16.17(5) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(1) O(2) 91.93(4) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(1) O(3) -174.58(4) ? 5_565 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 136.79(4) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 138.97(10) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) O(1) -75.76(6) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) O(3) 93.49(5) ? 2_554 . 2_554 2_554
P(1) Ca(1) O(2) P(1) 172.17(4) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 31.41(2) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 33.59(9) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(1) 178.86(5) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(2) -105.37(4) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(3) -11.89(3) ? 4_664 . 2_554 2_554
P(1) Ca(1) O(2) P(1) 81.50(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 102.24(2) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 104.42(10) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(1) -110.31(5) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(2) -34.55(4) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(3) 58.94(4) ? 6_564 . 2_554 2_554
O(3) Ca(1) P(1) Ca(3) 32.26(2) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) 34.44(9) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) O(1) 179.71(4) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) O(2) -104.53(4) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) O(3) -11.04(4) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) Ca(3) 158.061(17) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) 160.24(9) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(1) O(1) -54.49(4) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(1) O(2) 21.28(4) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(1) O(3) 114.76(3) ? 9_565 . 2_554 2_554
P(1) Ca(1) O(3) Ca(3) 96.98(3) ? 2_554 . 11_555 2_554
P(1) Ca(1) O(3) Ca(2) 96.2(2) ? 2_554 . 11_555 2_554
O(3) Ca(1) P(1) Ca(3) -55.35(3) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) -53.17(10) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(1) O(1) 92.10(5) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(1) O(2) 167.86(5) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(1) O(3) -98.65(5) ? 11_555 . 2_554 2_554
P(1) Ca(1) P(1) Ca(3) 129.574(16) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) Ca(2) 131.75(14) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(1) -82.98(5) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(2) -7.21(2) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(3) 86.27(3) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) Ca(3) 35.039(18) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) Ca(2) 37.22(17) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(1) -177.51(3) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(2) -101.75(4) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(3) -8.26(2) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(3) 90.39(3) ? 6_564 . 4_664 7_665
P(1) Ca(1) O(1) Ca(1) 139.453(19) ? 4_664 . . 8_565
P(1) Ca(1) O(1) P(1) -15.48(5) ? 4_664 . . .
P(1) Ca(1) O(1) Ca(3) -124.27(2) ? 4_664 . . 3_555
O(1) Ca(1) P(1) Ca(3) -131.28(2) ? . . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) -129.10(17) ? . . 4_664 4_664
O(1) Ca(1) P(1) O(1) 16.17(3) ? . . 4_664 4_664
O(1) Ca(1) P(1) O(2) 91.93(4) ? . . 4_664 4_664
O(1) Ca(1) P(1) O(3) -174.58(2) ? . . 4_664 4_664
O(1) Ca(1) P(1) O(3) -75.93(3) ? . . 4_664 7_665
P(1) Ca(1) O(1) Ca(1) -126.47(2) ? 4_664 . 3_665 8_565
P(1) Ca(1) O(1) P(1) 78.60(8) ? 4_664 . 3_665 3_665
O(1) Ca(1) P(1) Ca(3) -54.50(2) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) -52.32(17) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) O(1) 92.94(3) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) O(2) 168.71(4) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -97.80(3) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) O(3) 0.85(3) ? 3_665 . 4_664 7_665
P(1) Ca(1) O(1) Ca(1) 36.49(8) ? 4_664 . 5_565 8_565
P(1) Ca(1) O(1) P(1) -118.44(7) ? 4_664 . 5_565 5_565
O(1) Ca(1) P(1) Ca(3) -128.10(6) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) -125.92(18) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) O(1) 19.35(7) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) O(2) 95.12(7) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -171.40(6) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -72.74(7) ? 5_565 . 4_664 7_665
P(1) Ca(1) O(2) P(1) 81.49(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 102.24(2) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 104.42(17) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(1) -110.31(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(2) -34.55(4) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 58.94(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 157.59(3) ? 2_554 . 4_664 7_665
O(2) Ca(1) P(1) Ca(3) 136.79(4) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 138.97(17) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(1) -75.76(5) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 93.49(4) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(3) -167.86(5) ? 4_664 . 4_664 7_665
P(1) Ca(1) O(2) P(1) 172.17(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 31.41(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 33.59(17) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 178.86(3) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(2) -105.37(4) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(3) -11.89(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 86.77(3) ? 6_564 . 4_664 7_665
O(3) Ca(1) P(1) Ca(3) -55.35(3) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) -53.17(17) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) O(1) 92.09(4) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) O(2) 167.86(5) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) O(3) -98.65(4) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) Ca(3) 32.26(2) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) 34.44(17) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) O(1) 179.71(3) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) O(2) -104.53(4) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) O(3) -11.04(2) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) O(3) 87.61(3) ? 9_565 . 4_664 7_665
P(1) Ca(1) O(3) Ca(3) 5.32(2) ? 4_664 . 11_555 2_554
P(1) Ca(1) O(3) Ca(2) 4.5(2) ? 4_664 . 11_555 2_554
P(1) Ca(1) O(3) P(1) -91.66(3) ? 4_664 . 11_555 2_554
O(3) Ca(1) P(1) Ca(3) 158.06(2) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) 160.24(17) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -54.49(3) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) O(2) 21.28(4) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) O(3) 114.76(2) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) O(3) -146.58(3) ? 11_555 . 4_664 7_665
P(1) Ca(1) O(1) Ca(1) 36.49(11) ? 6_564 . . 8_565
P(1) Ca(1) O(1) P(1) -118.44(7) ? 6_564 . . .
P(1) Ca(1) O(1) Ca(3) 132.77(8) ? 6_564 . . 3_555
O(1) Ca(1) P(1) Ca(3) -128.10(9) ? . . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) -125.92(17) ? . . 6_564 6_564
O(1) Ca(1) P(1) O(1) 19.35(11) ? . . 6_564 6_564
O(1) Ca(1) P(1) O(2) 95.11(10) ? . . 6_564 6_564
O(1) Ca(1) P(1) O(3) -171.40(9) ? . . 6_564 6_564
P(1) Ca(1) O(1) Ca(1) 139.46(2) ? 6_564 . 3_665 8_565
P(1) Ca(1) O(1) P(1) -15.47(8) ? 6_564 . 3_665 3_665
O(1) Ca(1) P(1) Ca(3) -131.28(2) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) -129.10(15) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(1) O(1) 16.16(5) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(1) O(2) 91.93(3) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(1) O(3) -174.58(4) ? 3_665 . 6_564 6_564
P(1) Ca(1) O(1) Ca(1) -126.469(19) ? 6_564 . 5_565 8_565
P(1) Ca(1) O(1) P(1) 78.60(7) ? 6_564 . 5_565 5_565
O(1) Ca(1) P(1) Ca(3) -54.50(2) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) -52.32(14) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(1) O(1) 92.94(5) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(1) O(2) 168.71(3) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(1) O(3) -97.80(3) ? 5_565 . 6_564 6_564
P(1) Ca(1) O(2) P(1) 172.17(4) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 31.41(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 33.59(14) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(1) 178.86(5) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(2) -105.37(3) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(3) -11.89(4) ? 2_554 . 6_564 6_564
P(1) Ca(1) O(2) P(1) 81.49(3) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 102.24(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 104.42(14) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(1) -110.31(5) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(2) -34.55(3) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(3) 58.94(4) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 136.79(3) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 138.97(15) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) O(1) -75.76(5) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) O(3) 93.49(4) ? 6_564 . 6_564 6_564
O(3) Ca(1) P(1) Ca(3) 158.06(2) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) 160.24(14) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) O(1) -54.49(5) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) O(2) 21.27(2) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) O(3) 114.76(3) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) Ca(3) -55.35(3) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) -53.17(15) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(1) O(1) 92.09(5) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(1) O(2) 167.86(3) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(1) O(3) -98.65(4) ? 9_565 . 6_564 6_564
P(1) Ca(1) O(3) Ca(3) 102.81(2) ? 6_564 . 11_555 2_554
P(1) Ca(1) O(3) Ca(2) 102.0(2) ? 6_564 . 11_555 2_554
P(1) Ca(1) O(3) P(1) 5.83(4) ? 6_564 . 11_555 2_554
O(3) Ca(1) P(1) Ca(3) 32.26(2) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) 34.44(14) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(1) O(1) 179.71(5) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(1) O(2) -104.52(3) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(1) O(3) -11.04(4) ? 11_555 . 6_564 6_564
O(1) Ca(1) O(1) Ca(1) -39.75(3) ? . . 3_665 8_565
O(1) Ca(1) O(1) P(1) 165.31(9) ? . . 3_665 3_665
O(1) Ca(1) O(1) Ca(1) 39.75(2) ? 3_665 . . 8_565
O(1) Ca(1) O(1) P(1) -115.18(5) ? 3_665 . . .
O(1) Ca(1) O(1) Ca(3) 136.03(3) ? 3_665 . . 3_555
O(1) Ca(1) O(1) Ca(1) 39.76(2) ? . . 5_565 8_565
O(1) Ca(1) O(1) P(1) -115.18(7) ? . . 5_565 5_565
O(1) Ca(1) O(1) Ca(1) -39.76(2) ? 5_565 . . 8_565
O(1) Ca(1) O(1) P(1) 165.31(5) ? 5_565 . . .
O(1) Ca(1) O(1) Ca(3) 56.52(3) ? 5_565 . . 3_555
O(1) Ca(1) O(2) P(1) -13.85(5) ? . . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) -120.03(3) ? 2_554 . . 8_565
O(2) Ca(1) O(1) P(1) 85.04(6) ? 2_554 . . .
O(2) Ca(1) O(1) Ca(3) -23.75(4) ? 2_554 . . 3_555
O(1) Ca(1) O(2) P(1) -87.77(4) ? . . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) 167.02(2) ? 4_664 . . 8_565
O(2) Ca(1) O(1) P(1) 12.09(5) ? 4_664 . . .
O(2) Ca(1) O(1) Ca(3) -96.70(3) ? 4_664 . . 3_555
O(1) Ca(1) O(2) P(1) -150.74(4) ? . . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) 105.77(5) ? 6_564 . . 8_565
O(2) Ca(1) O(1) P(1) -49.16(7) ? 6_564 . . .
O(2) Ca(1) O(1) Ca(3) -157.95(4) ? 6_564 . . 3_555
O(3) Ca(1) O(1) Ca(1) 111.70(2) ? 7_665 . . 8_565
O(3) Ca(1) O(1) P(1) -43.23(5) ? 7_665 . . .
O(3) Ca(1) O(1) Ca(3) -152.02(3) ? 7_665 . . 3_555
O(3) Ca(1) O(1) Ca(1) -15.92(4) ? 9_565 . . 8_565
O(3) Ca(1) O(1) P(1) -170.85(3) ? 9_565 . . .
O(3) Ca(1) O(1) Ca(3) 80.36(3) ? 9_565 . . 3_555
O(1) Ca(1) O(3) Ca(3) -82.13(3) ? . . 11_555 2_554
O(1) Ca(1) O(3) Ca(2) -83.0(2) ? . . 11_555 2_554
O(1) Ca(1) O(3) P(1) -179.11(4) ? . . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) -126.04(3) ? 11_555 . . 8_565
O(3) Ca(1) O(1) P(1) 79.03(5) ? 11_555 . . .
O(3) Ca(1) O(1) Ca(3) -29.76(2) ? 11_555 . . 3_555
O(1) Ca(1) O(1) Ca(1) -39.75(2) ? 3_665 . 5_565 8_565
O(1) Ca(1) O(1) P(1) 165.31(8) ? 3_665 . 5_565 5_565
O(1) Ca(1) O(1) Ca(1) 39.75(3) ? 5_565 . 3_665 8_565
O(1) Ca(1) O(1) P(1) -115.18(9) ? 5_565 . 3_665 3_665
O(1) Ca(1) O(2) P(1) -150.74(4) ? 3_665 . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) 105.78(3) ? 2_554 . 3_665 8_565
O(2) Ca(1) O(1) P(1) -49.15(10) ? 2_554 . 3_665 3_665
O(1) Ca(1) O(2) P(1) -13.85(5) ? 3_665 . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) -120.02(2) ? 4_664 . 3_665 8_565
O(2) Ca(1) O(1) P(1) 85.05(9) ? 4_664 . 3_665 3_665
O(1) Ca(1) O(2) P(1) -87.77(3) ? 3_665 . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) 167.03(3) ? 6_564 . 3_665 8_565
O(2) Ca(1) O(1) P(1) 12.10(8) ? 6_564 . 3_665 3_665
O(3) Ca(1) O(1) Ca(1) -126.04(3) ? 7_665 . 3_665 8_565
O(3) Ca(1) O(1) P(1) 79.03(7) ? 7_665 . 3_665 3_665
O(3) Ca(1) O(1) Ca(1) 111.70(3) ? 9_565 . 3_665 8_565
O(3) Ca(1) O(1) P(1) -43.23(8) ? 9_565 . 3_665 3_665
O(1) Ca(1) O(3) Ca(3) -106.78(5) ? 3_665 . 11_555 2_554
O(1) Ca(1) O(3) Ca(2) -107.6(2) ? 3_665 . 11_555 2_554
O(1) Ca(1) O(3) P(1) 156.24(5) ? 3_665 . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) -15.93(7) ? 11_555 . 3_665 8_565
O(3) Ca(1) O(1) P(1) -170.86(5) ? 11_555 . 3_665 3_665
O(1) Ca(1) O(2) P(1) -87.77(4) ? 5_565 . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) 167.02(2) ? 2_554 . 5_565 8_565
O(2) Ca(1) O(1) P(1) 12.09(7) ? 2_554 . 5_565 5_565
O(1) Ca(1) O(2) P(1) -150.73(4) ? 5_565 . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) 105.77(5) ? 4_664 . 5_565 8_565
O(2) Ca(1) O(1) P(1) -49.16(11) ? 4_664 . 5_565 5_565
O(1) Ca(1) O(2) P(1) -13.85(3) ? 5_565 . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) -120.02(2) ? 6_564 . 5_565 8_565
O(2) Ca(1) O(1) P(1) 85.05(7) ? 6_564 . 5_565 5_565
O(3) Ca(1) O(1) Ca(1) -15.92(5) ? 7_665 . 5_565 8_565
O(3) Ca(1) O(1) P(1) -170.85(5) ? 7_665 . 5_565 5_565
O(3) Ca(1) O(1) Ca(1) -126.04(2) ? 9_565 . 5_565 8_565
O(3) Ca(1) O(1) P(1) 79.03(7) ? 9_565 . 5_565 5_565
O(1) Ca(1) O(3) Ca(3) -161.12(3) ? 5_565 . 11_555 2_554
O(1) Ca(1) O(3) Ca(2) -161.9(2) ? 5_565 . 11_555 2_554
O(1) Ca(1) O(3) P(1) 101.91(4) ? 5_565 . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) 111.70(2) ? 11_555 . 5_565 8_565
O(3) Ca(1) O(1) P(1) -43.24(7) ? 11_555 . 5_565 5_565
O(2) Ca(1) O(2) P(1) 144.82(4) ? 2_554 . 4_664 4_664
O(2) Ca(1) O(2) P(1) 65.82(4) ? 4_664 . 2_554 2_554
O(2) Ca(1) O(2) P(1) 65.82(3) ? 2_554 . 6_564 6_564
O(2) Ca(1) O(2) P(1) 144.82(4) ? 6_564 . 2_554 2_554
O(3) Ca(1) O(2) P(1) 94.29(3) ? 7_665 . 2_554 2_554
O(3) Ca(1) O(2) P(1) -157.06(4) ? 9_565 . 2_554 2_554
O(2) Ca(1) O(3) Ca(3) 103.75(3) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(3) Ca(2) 102.9(2) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(3) P(1) 6.77(3) ? 2_554 . 11_555 2_554
O(3) Ca(1) O(2) P(1) -6.96(3) ? 11_555 . 2_554 2_554
O(2) Ca(1) O(2) P(1) 144.82(3) ? 4_664 . 6_564 6_564
O(2) Ca(1) O(2) P(1) 65.81(3) ? 6_564 . 4_664 4_664
O(3) Ca(1) O(2) P(1) -6.96(3) ? 7_665 . 4_664 4_664
O(3) Ca(1) O(2) P(1) 94.29(4) ? 9_565 . 4_664 4_664
O(2) Ca(1) O(3) Ca(3) 15.74(3) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(3) Ca(2) 14.9(2) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(3) P(1) -81.23(3) ? 4_664 . 11_555 2_554
O(3) Ca(1) O(2) P(1) -157.06(4) ? 11_555 . 4_664 4_664
O(3) Ca(1) O(2) P(1) -157.06(3) ? 7_665 . 6_564 6_564
O(3) Ca(1) O(2) P(1) -6.96(2) ? 9_565 . 6_564 6_564
O(2) Ca(1) O(3) Ca(3) 69.61(4) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(3) Ca(2) 68.8(2) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(3) P(1) -27.37(5) ? 6_564 . 11_555 2_554
O(3) Ca(1) O(2) P(1) 94.30(3) ? 11_555 . 6_564 6_564
O(3) Ca(1) O(3) Ca(3) -11.80(3) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) Ca(2) -12.6(2) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) P(1) -108.78(3) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) Ca(3) 135.10(2) ? 9_565 . 11_555 2_554
O(3) Ca(1) O(3) Ca(2) 134.3(2) ? 9_565 . 11_555 2_554
O(3) Ca(1) O(3) P(1) 38.12(4) ? 9_565 . 11_555 2_554
Ca(2) Ca(3) Cl(1) Ca(3) -96(3) ? . . . 2_555
Ca(2) Ca(3) Cl(1) Ca(3) -9(3) ? . . . 3_555
Ca(2) Ca(3) Cl(1) Ca(3) -137(3) ? . . . 4_555
Ca(2) Ca(3) Cl(1) Ca(3) 95(3) ? . . . 5_555
Ca(2) Ca(3) Cl(1) Ca(3) -179(3) ? . . . 6_555
Ca(2) Ca(3) Cl(1) F(1) 43(3) ? . . . .
Ca(2) Ca(3) Cl(1) Ca(2) -96(3) ? . . . 2_555
Ca(2) Ca(3) Cl(1) Ca(2) -6(3) ? . . . 3_555
Ca(2) Ca(3) Cl(1) Ca(2) -144(3) ? . . . 4_555
Ca(2) Ca(3) Cl(1) Ca(2) 94(3) ? . . . 5_555
Ca(2) Ca(3) Cl(1) Ca(2) -175(3) ? . . . 6_555
Ca(2) Ca(3) Cl(1) Cl(1) -137(3) ? . . . 7_556
Cl(1) Ca(3) Ca(2) Ca(3) -167(3) ? . . . 2_554
Cl(1) Ca(3) Ca(2) P(1) 127(2) ? . . . .
Cl(1) Ca(3) Ca(2) F(1) -53(2) ? . . . .
Cl(1) Ca(3) Ca(2) O(3) 161(3) ? . . . .
Cl(1) Ca(3) Ca(2) Cl(1) -118(4) ? . . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 12.3(4) ? . . . 7_556
Cl(1) Ca(3) Ca(2) Cl(1) -105(4) ? . . . 8_555
Cl(1) Ca(3) Ca(2) O(2) 127(2) ? . . . 3_655
Cl(1) Ca(3) Ca(2) O(3) 24(3) ? . . . 6_555
Cl(1) Ca(3) Ca(2) O(3) -129.8(17) ? . . . 9_555
Cl(1) Ca(3) Ca(2) O(3) 94.0(17) ? . . . 10_555
Ca(2) Ca(3) Cl(1) Ca(3) 8(2) ? . . 2_554 3_555
Ca(2) Ca(3) Cl(1) Ca(3) -75(2) ? . . 2_554 5_555
Ca(2) Ca(3) Cl(1) Ca(3) 96(2) ? . . 2_554 2_554
Ca(2) Ca(3) Cl(1) Ca(2) 96(2) ? . . 2_554 2_554
Ca(2) Ca(3) Cl(1) F(1) 146(2) ? . . 2_554 2_554
Ca(2) Ca(3) Cl(1) Ca(2) 5(2) ? . . 2_554 3_555
Ca(2) Ca(3) Cl(1) Ca(2) -75(2) ? . . 2_554 5_555
Cl(1) Ca(3) Ca(2) Ca(3) -48.8(8) ? 2_554 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 118(4) ? 2_554 . . .
Cl(1) Ca(3) Ca(2) P(1) -115.0(19) ? 2_554 . . .
Cl(1) Ca(3) Ca(2) F(1) 65.0(19) ? 2_554 . . .
Cl(1) Ca(3) Ca(2) O(3) -81.7(12) ? 2_554 . . .
Cl(1) Ca(3) Ca(2) Cl(1) 130(3) ? 2_554 . . 7_556
Cl(1) Ca(3) Ca(2) Cl(1) 12.3(4) ? 2_554 . . 8_555
Cl(1) Ca(3) Ca(2) O(2) -115.0(19) ? 2_554 . . 3_655
Cl(1) Ca(3) Ca(2) O(3) 142.1(12) ? 2_554 . . 6_555
Cl(1) Ca(3) Ca(2) O(3) -12(2) ? 2_554 . . 9_555
Cl(1) Ca(3) Ca(2) O(3) -148(2) ? 2_554 . . 10_555
Ca(2) Ca(3) Cl(1) Ca(3) -96(2) ? . . 7_556 2_555
Ca(2) Ca(3) Cl(1) Ca(3) -8(2) ? . . 7_556 3_555
Ca(2) Ca(3) Cl(1) Ca(3) 34(2) ? . . 7_556 4_555
Ca(2) Ca(3) Cl(1) Ca(3) 75(2) ? . . 7_556 5_555
Ca(2) Ca(3) Cl(1) Ca(3) 163(2) ? . . 7_556 6_555
Ca(2) Ca(3) Cl(1) Ca(2) -96(2) ? . . 7_556 2_555
Ca(2) Ca(3) Cl(1) Ca(2) -5(2) ? . . 7_556 3_555
Ca(2) Ca(3) Cl(1) Ca(2) 45(3) ? . . 7_556 4_555
Ca(2) Ca(3) Cl(1) Ca(2) 75(2) ? . . 7_556 5_555
Ca(2) Ca(3) Cl(1) Ca(2) 166(2) ? . . 7_556 6_555
Ca(2) Ca(3) Cl(1) Cl(1) 34(2) ? . . 7_556 .
Ca(2) Ca(3) Cl(1) F(1) -146(2) ? . . 7_556 2_555
Cl(1) Ca(3) Ca(2) Ca(3) -179(3) ? 7_556 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) -12.3(4) ? 7_556 . . .
Cl(1) Ca(3) Ca(2) P(1) 115.0(19) ? 7_556 . . .
Cl(1) Ca(3) Ca(2) F(1) -65.0(19) ? 7_556 . . .
Cl(1) Ca(3) Ca(2) O(3) 148(2) ? 7_556 . . .
Cl(1) Ca(3) Ca(2) Cl(1) -130(3) ? 7_556 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) -118(4) ? 7_556 . . 8_555
Cl(1) Ca(3) Ca(2) O(2) 115.0(19) ? 7_556 . . 3_655
Cl(1) Ca(3) Ca(2) O(3) 12(2) ? 7_556 . . 6_555
Cl(1) Ca(3) Ca(2) O(3) -142.1(12) ? 7_556 . . 9_555
Cl(1) Ca(3) Ca(2) O(3) 81.7(12) ? 7_556 . . 10_555
Ca(2) Ca(3) Cl(1) Ca(3) 9(3) ? . . 8_555 3_555
Ca(2) Ca(3) Cl(1) Ca(3) -95(3) ? . . 8_555 5_555
Ca(2) Ca(3) Cl(1) Ca(2) 6(3) ? . . 8_555 3_555
Ca(2) Ca(3) Cl(1) Ca(2) -94(3) ? . . 8_555 5_555
Ca(2) Ca(3) Cl(1) F(1) -43(3) ? . . 8_555 .
Cl(1) Ca(3) Ca(2) Ca(3) -61.1(13) ? 8_555 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 105(4) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) P(1) -127(2) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) F(1) 53(2) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) O(3) -94.0(17) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) Cl(1) -12.3(4) ? 8_555 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 118(4) ? 8_555 . . 7_556
Cl(1) Ca(3) Ca(2) O(2) -127(2) ? 8_555 . . 3_655
Cl(1) Ca(3) Ca(2) O(3) 129.8(17) ? 8_555 . . 6_555
Cl(1) Ca(3) Ca(2) O(3) -24(3) ? 8_555 . . 9_555
Cl(1) Ca(3) Ca(2) O(3) -161(3) ? 8_555 . . 10_555
Ca(2) Ca(3) P(1) Ca(1) 146.957(6) ? . . . 2_655
Ca(2) Ca(3) P(1) Ca(1) -146.958(6) ? . . . 7_665
Ca(2) Ca(3) P(1) O(3) -84.99(4) ? . . . .
Ca(2) Ca(3) P(1) O(3) 84.99(4) ? . . . 10_555
P(1) Ca(3) Ca(2) Ca(3) 66.2(11) ? . . . 2_554
P(1) Ca(3) Ca(2) Cl(1) -127(2) ? . . . .
P(1) Ca(3) Ca(2) O(3) 33.3(6) ? . . . .
P(1) Ca(3) Ca(2) Cl(1) 115.0(19) ? . . . 2_554
P(1) Ca(3) Ca(2) Cl(1) -115.0(19) ? . . . 7_556
P(1) Ca(3) Ca(2) Cl(1) 127(2) ? . . . 8_555
P(1) Ca(3) Ca(2) O(3) -103.0(7) ? . . . 6_555
P(1) Ca(3) Ca(2) O(3) 103.0(7) ? . . . 9_555
P(1) Ca(3) Ca(2) O(3) -33.3(6) ? . . . 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) -113.8(11) ? . . . 2_554
F(1) Ca(3) Ca(2) Cl(1) 53(2) ? . . . .
F(1) Ca(3) Ca(2) O(3) -146.7(6) ? . . . .
F(1) Ca(3) Ca(2) Cl(1) -65.0(19) ? . . . 2_554
F(1) Ca(3) Ca(2) Cl(1) 65.0(19) ? . . . 7_556
F(1) Ca(3) Ca(2) Cl(1) -53(2) ? . . . 8_555
F(1) Ca(3) Ca(2) O(3) 77.0(7) ? . . . 6_555
F(1) Ca(3) Ca(2) O(3) -77.0(7) ? . . . 9_555
F(1) Ca(3) Ca(2) O(3) 146.7(6) ? . . . 10_555
O(1) Ca(3) Ca(2) Ca(3) -113.8(11) ? 5_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) 53(2) ? 5_555 . . .
O(1) Ca(3) Ca(2) O(3) -146.7(6) ? 5_555 . . .
O(1) Ca(3) Ca(2) Cl(1) -65.0(19) ? 5_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) 65.0(19) ? 5_555 . . 7_556
O(1) Ca(3) Ca(2) Cl(1) -53(2) ? 5_555 . . 8_555
O(1) Ca(3) Ca(2) O(3) 77.0(7) ? 5_555 . . 6_555
O(1) Ca(3) Ca(2) O(3) -77.0(7) ? 5_555 . . 9_555
O(1) Ca(3) Ca(2) O(3) 146.7(6) ? 5_555 . . 10_555
Ca(2) Ca(3) O(2) Ca(1) 50.48(3) ? . . 3_655 2_655
Ca(2) Ca(3) O(2) Ca(1) -50.48(3) ? . . 3_655 7_665
O(2) Ca(3) Ca(2) Ca(3) 66.2(11) ? 3_655 . . 2_554
O(2) Ca(3) Ca(2) Cl(1) -127(2) ? 3_655 . . .
O(2) Ca(3) Ca(2) O(3) 33.3(6) ? 3_655 . . .
O(2) Ca(3) Ca(2) Cl(1) 115.0(19) ? 3_655 . . 2_554
O(2) Ca(3) Ca(2) Cl(1) -115.0(19) ? 3_655 . . 7_556
O(2) Ca(3) Ca(2) Cl(1) 127(2) ? 3_655 . . 8_555
O(2) Ca(3) Ca(2) O(3) -103.0(7) ? 3_655 . . 6_555
O(2) Ca(3) Ca(2) O(3) 103.0(7) ? 3_655 . . 9_555
O(2) Ca(3) Ca(2) O(3) -33.3(6) ? 3_655 . . 10_555
Ca(2) Ca(3) O(3) Ca(1) 170.6(14) ? . . . 7_665
Ca(2) Ca(3) O(3) P(1) 78.6(14) ? . . . .
Ca(2) Ca(3) O(3) Ca(3) -81.5(14) ? . . . 2_554
Ca(2) Ca(3) O(3) Ca(2) -77.1(14) ? . . . 2_554
O(3) Ca(3) Ca(2) Ca(3) 32.9(4) ? . . . 2_554
O(3) Ca(3) Ca(2) Cl(1) -161(3) ? . . . .
O(3) Ca(3) Ca(2) P(1) -33.3(6) ? . . . .
O(3) Ca(3) Ca(2) F(1) 146.7(6) ? . . . .
O(3) Ca(3) Ca(2) Cl(1) 81.7(12) ? . . . 2_554
O(3) Ca(3) Ca(2) Cl(1) -148(2) ? . . . 7_556
O(3) Ca(3) Ca(2) Cl(1) 94.0(17) ? . . . 8_555
O(3) Ca(3) Ca(2) O(2) -33.3(6) ? . . . 3_655
O(3) Ca(3) Ca(2) O(3) -136.22(7) ? . . . 6_555
O(3) Ca(3) Ca(2) O(3) 69.7(14) ? . . . 9_555
O(3) Ca(3) Ca(2) O(3) -66.5(13) ? . . . 10_555
Ca(2) Ca(3) O(3) Ca(3) 48(2) ? . . 6_555 6_555
Ca(2) Ca(3) O(3) Ca(2) 42(2) ? . . 6_555 6_555
Ca(2) Ca(3) O(3) P(1) -101(2) ? . . 6_555 6_555
O(3) Ca(3) Ca(2) Ca(3) 169.1(3) ? 6_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) -24(3) ? 6_555 . . .
O(3) Ca(3) Ca(2) P(1) 103.0(7) ? 6_555 . . .
O(3) Ca(3) Ca(2) F(1) -77.0(7) ? 6_555 . . .
O(3) Ca(3) Ca(2) O(3) 136.22(7) ? 6_555 . . .
O(3) Ca(3) Ca(2) Cl(1) -142.1(12) ? 6_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) -12(2) ? 6_555 . . 7_556
O(3) Ca(3) Ca(2) Cl(1) -129.8(17) ? 6_555 . . 8_555
O(3) Ca(3) Ca(2) O(2) 103.0(7) ? 6_555 . . 3_655
O(3) Ca(3) Ca(2) O(3) -154.1(14) ? 6_555 . . 9_555
O(3) Ca(3) Ca(2) O(3) 69.7(14) ? 6_555 . . 10_555
O(3) Ca(3) Ca(2) Ca(3) -36.8(18) ? 9_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) 129.8(17) ? 9_555 . . .
O(3) Ca(3) Ca(2) P(1) -103.0(7) ? 9_555 . . .
O(3) Ca(3) Ca(2) F(1) 77.0(7) ? 9_555 . . .
O(3) Ca(3) Ca(2) O(3) -69.7(14) ? 9_555 . . .
O(3) Ca(3) Ca(2) Cl(1) 12(2) ? 9_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) 142.1(12) ? 9_555 . . 7_556
O(3) Ca(3) Ca(2) Cl(1) 24(3) ? 9_555 . . 8_555
O(3) Ca(3) Ca(2) O(2) -103.0(7) ? 9_555 . . 3_655
O(3) Ca(3) Ca(2) O(3) 154.1(14) ? 9_555 . . 6_555
O(3) Ca(3) Ca(2) O(3) -136.22(7) ? 9_555 . . 10_555
Ca(2) Ca(3) O(3) P(1) -78.6(14) ? . . 10_555 .
O(3) Ca(3) Ca(2) Ca(3) 99.4(17) ? 10_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) -94.0(17) ? 10_555 . . .
O(3) Ca(3) Ca(2) P(1) 33.3(6) ? 10_555 . . .
O(3) Ca(3) Ca(2) F(1) -146.7(6) ? 10_555 . . .
O(3) Ca(3) Ca(2) O(3) 66.5(13) ? 10_555 . . .
O(3) Ca(3) Ca(2) Cl(1) 148(2) ? 10_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) -81.7(12) ? 10_555 . . 7_556
O(3) Ca(3) Ca(2) Cl(1) 161(3) ? 10_555 . . 8_555
O(3) Ca(3) Ca(2) O(2) 33.3(6) ? 10_555 . . 3_655
O(3) Ca(3) Ca(2) O(3) -69.7(14) ? 10_555 . . 6_555
O(3) Ca(3) Ca(2) O(3) 136.22(7) ? 10_555 . . 9_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.85(2) ? . . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.85(2) ? . . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.61(3) ? . . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 129.5(2) ? . . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 34(2) ? . . 2_554 .
Cl(1) Ca(3) Cl(1) Ca(2) 38.77(15) ? . . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -41.4(2) ? . . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -138.50(2) ? 2_554 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -51.55(2) ? 2_554 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 51.55(2) ? 2_554 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 138.496(19) ? 2_554 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -43(3) ? 2_554 . . .
Cl(1) Ca(3) Cl(1) Ca(2) -139.41(19) ? 2_554 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -48.48(15) ? 2_554 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 173.5(6) ? 2_554 . . 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 51.1(2) ? 2_554 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 141.63(14) ? 2_554 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(3) -129.61(3) ? . . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.85(2) ? . . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.85(2) ? . . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.61(2) ? . . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -34(2) ? . . 7_556 .
Cl(1) Ca(3) Cl(1) Ca(2) -129.5(2) ? . . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -38.77(15) ? . . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 11.0(12) ? . . 7_556 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 41.4(2) ? . . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 132.62(18) ? . . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.50(2) ? 7_556 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(3) 128.45(2) ? 7_556 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -128.45(2) ? 7_556 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.504(19) ? 7_556 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(2) 137(3) ? 7_556 . . .
Cl(1) Ca(3) Cl(1) Ca(2) 40.59(19) ? 7_556 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(2) 131.52(15) ? 7_556 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -6.5(6) ? 7_556 . . 4_555
Cl(1) Ca(3) Cl(1) Ca(2) -128.9(2) ? 7_556 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) -38.37(14) ? 7_556 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(3) 51.55(2) ? . . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -51.55(2) ? . . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 43(3) ? . . 8_555 .
Cl(1) Ca(3) Cl(1) Ca(2) 48.48(15) ? . . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -51.1(2) ? . . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -138.50(2) ? 8_555 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -51.55(2) ? 8_555 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 51.55(2) ? 8_555 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 138.496(19) ? 8_555 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -43(3) ? 8_555 . . .
Cl(1) Ca(3) Cl(1) Ca(2) -139.41(19) ? 8_555 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -48.48(15) ? 8_555 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 173.5(6) ? 8_555 . . 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 51.1(2) ? 8_555 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 141.63(14) ? 8_555 . . 6_555
Cl(1) Ca(3) P(1) Ca(1) 119.516(19) ? . . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -174.40(2) ? . . . 7_665
Cl(1) Ca(3) P(1) Ca(2) -27.44(2) ? . . . .
Cl(1) Ca(3) P(1) O(1) -27.44(2) ? . . . .
Cl(1) Ca(3) P(1) O(2) 152.56(2) ? . . . .
Cl(1) Ca(3) P(1) O(3) -112.43(5) ? . . . .
Cl(1) Ca(3) P(1) O(3) 57.55(4) ? . . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -51.50(2) ? . . . 2_555
P(1) Ca(3) Cl(1) Ca(3) 35.44(2) ? . . . 3_555
P(1) Ca(3) Cl(1) Ca(3) -93.01(12) ? . . . 4_555
P(1) Ca(3) Cl(1) Ca(3) 138.54(2) ? . . . 5_555
P(1) Ca(3) Cl(1) Ca(3) -134.51(2) ? . . . 6_555
P(1) Ca(3) Cl(1) Ca(2) 44(3) ? . . . .
P(1) Ca(3) Cl(1) F(1) 86.991(19) ? . . . .
P(1) Ca(3) Cl(1) Ca(2) -52.42(19) ? . . . 2_555
P(1) Ca(3) Cl(1) Ca(2) 38.52(15) ? . . . 3_555
P(1) Ca(3) Cl(1) Ca(2) -99.5(6) ? . . . 4_555
P(1) Ca(3) Cl(1) Ca(2) 138.1(2) ? . . . 5_555
P(1) Ca(3) Cl(1) Ca(2) -131.38(14) ? . . . 6_555
P(1) Ca(3) Cl(1) Cl(1) -93.009(19) ? . . . 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) -138.50(2) ? . . . 2_555
F(1) Ca(3) Cl(1) Ca(3) -51.55(2) ? . . . 3_555
F(1) Ca(3) Cl(1) Ca(3) 51.55(2) ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(3) 138.496(19) ? . . . 6_555
F(1) Ca(3) Cl(1) Ca(2) -43(3) ? . . . .
F(1) Ca(3) Cl(1) Ca(2) -139.41(19) ? . . . 2_555
F(1) Ca(3) Cl(1) Ca(2) -48.48(15) ? . . . 3_555
F(1) Ca(3) Cl(1) Ca(2) 173.5(6) ? . . . 4_555
F(1) Ca(3) Cl(1) Ca(2) 51.1(2) ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(2) 141.63(14) ? . . . 6_555
Cl(1) Ca(3) O(1) P(1) 27.73(2) ? . . 5_555 5_555
O(1) Ca(3) Cl(1) Ca(3) 126.35(2) ? 5_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(3) -146.70(2) ? 5_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(3) 84.85(11) ? 5_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(3) -43.61(3) ? 5_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(3) 43.34(2) ? 5_555 . . 6_555
O(1) Ca(3) Cl(1) Ca(2) -138(3) ? 5_555 . . .
O(1) Ca(3) Cl(1) F(1) -95.15(2) ? 5_555 . . .
O(1) Ca(3) Cl(1) Ca(2) 125.44(19) ? 5_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(2) -143.63(15) ? 5_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(2) 78.4(6) ? 5_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(2) -44.1(2) ? 5_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) 46.48(14) ? 5_555 . . 6_555
O(1) Ca(3) Cl(1) Cl(1) 84.85(2) ? 5_555 . . 7_556
Cl(1) Ca(3) O(2) Ca(1) 1.27(10) ? . . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -99.69(5) ? . . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) 130.79(7) ? . . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) -49.21(7) ? . . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) -5.81(8) ? 3_655 . . 2_555
O(2) Ca(3) Cl(1) Ca(3) 81.14(8) ? 3_655 . . 3_555
O(2) Ca(3) Cl(1) Ca(3) -47.32(17) ? 3_655 . . 4_555
O(2) Ca(3) Cl(1) Ca(3) -175.77(7) ? 3_655 . . 5_555
O(2) Ca(3) Cl(1) Ca(3) -88.82(7) ? 3_655 . . 6_555
O(2) Ca(3) Cl(1) Ca(2) 90(3) ? 3_655 . . .
O(2) Ca(3) Cl(1) F(1) 132.68(8) ? 3_655 . . .
O(2) Ca(3) Cl(1) Ca(2) -6.7(2) ? 3_655 . . 2_555
O(2) Ca(3) Cl(1) Ca(2) 84.21(17) ? 3_655 . . 3_555
O(2) Ca(3) Cl(1) Ca(2) -53.8(6) ? 3_655 . . 4_555
O(2) Ca(3) Cl(1) Ca(2) -176.2(2) ? 3_655 . . 5_555
O(2) Ca(3) Cl(1) Ca(2) -85.69(16) ? 3_655 . . 6_555
O(2) Ca(3) Cl(1) Cl(1) -47.32(8) ? 3_655 . . 7_556
Cl(1) Ca(3) O(3) Ca(1) 159.49(2) ? . . . 7_665
Cl(1) Ca(3) O(3) Ca(2) -11.1(14) ? . . . .
Cl(1) Ca(3) O(3) P(1) 67.50(4) ? . . . .
Cl(1) Ca(3) O(3) Ca(3) -92.61(5) ? . . . 2_554
Cl(1) Ca(3) O(3) Ca(2) -88.2(4) ? . . . 2_554
O(3) Ca(3) Cl(1) Ca(3) -78.34(2) ? . . . 2_555
O(3) Ca(3) Cl(1) Ca(3) 8.61(3) ? . . . 3_555
O(3) Ca(3) Cl(1) Ca(3) -119.84(11) ? . . . 4_555
O(3) Ca(3) Cl(1) Ca(3) 111.70(3) ? . . . 5_555
O(3) Ca(3) Cl(1) Ca(3) -161.35(2) ? . . . 6_555
O(3) Ca(3) Cl(1) Ca(2) 17(3) ? . . . .
O(3) Ca(3) Cl(1) F(1) 60.16(2) ? . . . .
O(3) Ca(3) Cl(1) Ca(2) -79.25(19) ? . . . 2_555
O(3) Ca(3) Cl(1) Ca(2) 11.68(16) ? . . . 3_555
O(3) Ca(3) Cl(1) Ca(2) -126.3(6) ? . . . 4_555
O(3) Ca(3) Cl(1) Ca(2) 111.2(2) ? . . . 5_555
O(3) Ca(3) Cl(1) Ca(2) -158.21(14) ? . . . 6_555
O(3) Ca(3) Cl(1) Cl(1) -119.84(2) ? . . . 7_556
Cl(1) Ca(3) O(3) Ca(3) 33.61(5) ? . . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) 28.1(3) ? . . 6_555 6_555
Cl(1) Ca(3) O(3) P(1) -115.13(9) ? . . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) -14(2) ? . . 6_555 .
O(3) Ca(3) Cl(1) Ca(3) 60.73(3) ? 6_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(3) 147.68(3) ? 6_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(3) 19.22(13) ? 6_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(3) -109.23(3) ? 6_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(3) -22.28(2) ? 6_555 . . 6_555
O(3) Ca(3) Cl(1) Ca(2) 156(3) ? 6_555 . . .
O(3) Ca(3) Cl(1) F(1) -160.78(3) ? 6_555 . . .
O(3) Ca(3) Cl(1) Ca(2) 59.81(19) ? 6_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(2) 150.75(15) ? 6_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(2) 12.7(6) ? 6_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(2) -109.7(2) ? 6_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) -19.14(14) ? 6_555 . . 6_555
O(3) Ca(3) Cl(1) Cl(1) 19.22(3) ? 6_555 . . 7_556
Cl(1) Ca(3) O(3) Ca(2) 34(2) ? . . 9_555 .
O(3) Ca(3) Cl(1) Ca(3) -162.22(5) ? 9_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(3) -75.28(5) ? 9_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(3) 156.27(9) ? 9_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(3) 27.82(6) ? 9_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(3) 114.77(5) ? 9_555 . . 6_555
O(3) Ca(3) Cl(1) Ca(2) -67(3) ? 9_555 . . .
O(3) Ca(3) Cl(1) F(1) -23.73(4) ? 9_555 . . .
O(3) Ca(3) Cl(1) Ca(2) -163.14(19) ? 9_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(2) -72.20(16) ? 9_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(2) 149.8(6) ? 9_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(2) 27.4(2) ? 9_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) 117.90(15) ? 9_555 . . 6_555
O(3) Ca(3) Cl(1) Cl(1) 156.27(4) ? 9_555 . . 7_556
Cl(1) Ca(3) O(3) Ca(2) -37.8(14) ? . . 10_555 .
Cl(1) Ca(3) O(3) P(1) -116.43(4) ? . . 10_555 .
O(3) Ca(3) Cl(1) Ca(3) -25.56(2) ? 10_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(3) 61.39(2) ? 10_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(3) -67.06(12) ? 10_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(3) 164.49(3) ? 10_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(3) -108.57(2) ? 10_555 . . 6_555
O(3) Ca(3) Cl(1) Ca(2) 70(3) ? 10_555 . . .
O(3) Ca(3) Cl(1) F(1) 112.94(2) ? 10_555 . . .
O(3) Ca(3) Cl(1) Ca(2) -26.47(19) ? 10_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(2) 64.46(15) ? 10_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(2) -73.5(6) ? 10_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(2) 164.0(2) ? 10_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) -105.43(14) ? 10_555 . . 6_555
O(3) Ca(3) Cl(1) Cl(1) -67.06(2) ? 10_555 . . 7_556
Cl(1) Ca(3) Cl(1) Ca(3) -129.61(3) ? 2_554 . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.85(2) ? 2_554 . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.85(2) ? 2_554 . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.61(2) ? 2_554 . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -34(2) ? 2_554 . 7_556 .
Cl(1) Ca(3) Cl(1) Ca(2) -129.5(2) ? 2_554 . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -38.77(15) ? 2_554 . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 11.0(12) ? 2_554 . 7_556 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 41.4(2) ? 2_554 . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 132.62(18) ? 2_554 . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.85(2) ? 7_556 . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.85(2) ? 7_556 . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.61(3) ? 7_556 . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 129.5(2) ? 7_556 . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 34(2) ? 7_556 . 2_554 .
Cl(1) Ca(3) Cl(1) Ca(2) 38.77(15) ? 7_556 . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -41.4(2) ? 7_556 . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -128.45(2) ? 2_554 . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 128.45(2) ? 2_554 . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(2) -137(3) ? 2_554 . 8_555 .
Cl(1) Ca(3) Cl(1) Ca(2) -131.52(15) ? 2_554 . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 128.9(2) ? 2_554 . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.85(2) ? 8_555 . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.85(2) ? 8_555 . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.61(3) ? 8_555 . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 129.5(2) ? 8_555 . 2_554 2_554
Cl(1) Ca(3) Cl(1) Ca(2) 34(2) ? 8_555 . 2_554 .
Cl(1) Ca(3) Cl(1) Ca(2) 38.77(15) ? 8_555 . 2_554 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -41.4(2) ? 8_555 . 2_554 5_555
Cl(1) Ca(3) P(1) Ca(1) -172.72(2) ? 2_554 . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -106.631(18) ? 2_554 . . 7_665
Cl(1) Ca(3) P(1) Ca(2) 40.33(2) ? 2_554 . . .
Cl(1) Ca(3) P(1) O(1) 40.33(2) ? 2_554 . . .
Cl(1) Ca(3) P(1) O(2) -139.67(2) ? 2_554 . . .
Cl(1) Ca(3) P(1) O(3) -44.66(4) ? 2_554 . . .
Cl(1) Ca(3) P(1) O(3) 125.31(5) ? 2_554 . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -43.93(2) ? . . 2_554 3_555
P(1) Ca(3) Cl(1) Ca(3) -127.62(3) ? . . 2_554 5_555
P(1) Ca(3) Cl(1) Ca(3) 43.84(3) ? . . 2_554 2_554
P(1) Ca(3) Cl(1) Ca(2) 43.8(2) ? . . 2_554 2_554
P(1) Ca(3) Cl(1) F(1) 94.23(2) ? . . 2_554 2_554
P(1) Ca(3) Cl(1) Ca(2) -52(2) ? . . 2_554 .
P(1) Ca(3) Cl(1) Ca(2) -47.00(15) ? . . 2_554 3_555
P(1) Ca(3) Cl(1) Ca(2) -127.2(2) ? . . 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) 41.85(2) ? . . 2_554 3_555
F(1) Ca(3) Cl(1) Ca(3) -41.85(2) ? . . 2_554 5_555
F(1) Ca(3) Cl(1) Ca(3) 129.61(3) ? . . 2_554 2_554
F(1) Ca(3) Cl(1) Ca(2) 129.5(2) ? . . 2_554 2_554
F(1) Ca(3) Cl(1) Ca(2) 34(2) ? . . 2_554 .
F(1) Ca(3) Cl(1) Ca(2) 38.77(15) ? . . 2_554 3_555
F(1) Ca(3) Cl(1) Ca(2) -41.4(2) ? . . 2_554 5_555
Cl(1) Ca(3) O(1) P(1) -40.68(2) ? 2_554 . 5_555 5_555
O(1) Ca(3) Cl(1) Ca(3) 139.07(3) ? 5_555 . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(3) 55.38(3) ? 5_555 . 2_554 5_555
O(1) Ca(3) Cl(1) Ca(3) -133.16(3) ? 5_555 . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) -133.2(2) ? 5_555 . 2_554 2_554
O(1) Ca(3) Cl(1) F(1) -82.77(2) ? 5_555 . 2_554 2_554
O(1) Ca(3) Cl(1) Ca(2) 131(2) ? 5_555 . 2_554 .
O(1) Ca(3) Cl(1) Ca(2) 136.00(15) ? 5_555 . 2_554 3_555
O(1) Ca(3) Cl(1) Ca(2) 55.8(2) ? 5_555 . 2_554 5_555
Cl(1) Ca(3) O(2) Ca(1) 112.65(4) ? 2_554 . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) 11.69(8) ? 2_554 . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) -117.83(6) ? 2_554 . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) 62.17(6) ? 2_554 . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) -100.52(7) ? 3_655 . 2_554 3_555
O(2) Ca(3) Cl(1) Ca(3) 175.79(7) ? 3_655 . 2_554 5_555
O(2) Ca(3) Cl(1) Ca(3) -12.75(7) ? 3_655 . 2_554 2_554
O(2) Ca(3) Cl(1) Ca(2) -12.8(2) ? 3_655 . 2_554 2_554
O(2) Ca(3) Cl(1) F(1) 37.64(8) ? 3_655 . 2_554 2_554
O(2) Ca(3) Cl(1) Ca(2) -109(2) ? 3_655 . 2_554 .
O(2) Ca(3) Cl(1) Ca(2) -103.59(17) ? 3_655 . 2_554 3_555
O(2) Ca(3) Cl(1) Ca(2) 176.3(2) ? 3_655 . 2_554 5_555
Cl(1) Ca(3) O(3) Ca(1) -138.52(2) ? 2_554 . . 7_665
Cl(1) Ca(3) O(3) Ca(2) 50.9(14) ? 2_554 . . .
Cl(1) Ca(3) O(3) P(1) 129.48(4) ? 2_554 . . .
Cl(1) Ca(3) O(3) Ca(3) -30.62(6) ? 2_554 . . 2_554
Cl(1) Ca(3) O(3) Ca(2) -26.2(4) ? 2_554 . . 2_554
O(3) Ca(3) Cl(1) Ca(3) -66.05(3) ? . . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(3) -149.74(3) ? . . 2_554 5_555
O(3) Ca(3) Cl(1) Ca(3) 21.71(3) ? . . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) 21.6(2) ? . . 2_554 2_554
O(3) Ca(3) Cl(1) F(1) 72.10(3) ? . . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) -74(2) ? . . 2_554 .
O(3) Ca(3) Cl(1) Ca(2) -69.13(15) ? . . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(2) -149.3(2) ? . . 2_554 5_555
Cl(1) Ca(3) O(3) Ca(3) 6.03(10) ? 2_554 . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) 0.5(3) ? 2_554 . 6_555 6_555
Cl(1) Ca(3) O(3) P(1) -142.71(7) ? 2_554 . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) -42(2) ? 2_554 . 6_555 .
O(3) Ca(3) Cl(1) Ca(3) 70.97(7) ? 6_555 . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(3) -12.73(7) ? 6_555 . 2_554 5_555
O(3) Ca(3) Cl(1) Ca(3) 158.73(7) ? 6_555 . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) 158.7(2) ? 6_555 . 2_554 2_554
O(3) Ca(3) Cl(1) F(1) -150.88(6) ? 6_555 . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) 63(2) ? 6_555 . 2_554 .
O(3) Ca(3) Cl(1) Ca(2) 67.89(17) ? 6_555 . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(2) -12.3(2) ? 6_555 . 2_554 5_555
Cl(1) Ca(3) O(3) Ca(2) 9(2) ? 2_554 . 9_555 .
O(3) Ca(3) Cl(1) Ca(3) -158.98(2) ? 9_555 . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(3) 117.32(3) ? 9_555 . 2_554 5_555
O(3) Ca(3) Cl(1) Ca(3) -71.22(3) ? 9_555 . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) -71.3(2) ? 9_555 . 2_554 2_554
O(3) Ca(3) Cl(1) F(1) -20.83(3) ? 9_555 . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) -167(2) ? 9_555 . 2_554 .
O(3) Ca(3) Cl(1) Ca(2) -162.06(15) ? 9_555 . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(2) 117.8(2) ? 9_555 . 2_554 5_555
Cl(1) Ca(3) O(3) Ca(2) 22.5(14) ? 2_554 . 10_555 .
Cl(1) Ca(3) O(3) P(1) -56.13(4) ? 2_554 . 10_555 .
O(3) Ca(3) Cl(1) Ca(3) -20.03(3) ? 10_555 . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(3) -103.72(3) ? 10_555 . 2_554 5_555
O(3) Ca(3) Cl(1) Ca(3) 67.74(3) ? 10_555 . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) 67.7(2) ? 10_555 . 2_554 2_554
O(3) Ca(3) Cl(1) F(1) 118.13(3) ? 10_555 . 2_554 2_554
O(3) Ca(3) Cl(1) Ca(2) -28(2) ? 10_555 . 2_554 .
O(3) Ca(3) Cl(1) Ca(2) -23.10(15) ? 10_555 . 2_554 3_555
O(3) Ca(3) Cl(1) Ca(2) -103.3(2) ? 10_555 . 2_554 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 51.55(2) ? 7_556 . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -51.55(2) ? 7_556 . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 43(3) ? 7_556 . 8_555 .
Cl(1) Ca(3) Cl(1) Ca(2) 48.48(15) ? 7_556 . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -51.1(2) ? 7_556 . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -129.61(3) ? 8_555 . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(3) -41.85(2) ? 8_555 . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 41.85(2) ? 8_555 . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 129.61(2) ? 8_555 . 7_556 6_555
Cl(1) Ca(3) Cl(1) Ca(2) -34(2) ? 8_555 . 7_556 .
Cl(1) Ca(3) Cl(1) Ca(2) -129.5(2) ? 8_555 . 7_556 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -38.77(15) ? 8_555 . 7_556 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 11.0(12) ? 8_555 . 7_556 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 41.4(2) ? 8_555 . 7_556 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 132.62(18) ? 8_555 . 7_556 6_555
Cl(1) Ca(3) P(1) Ca(1) 106.630(18) ? 7_556 . . 2_655
Cl(1) Ca(3) P(1) Ca(1) 172.71(2) ? 7_556 . . 7_665
Cl(1) Ca(3) P(1) Ca(2) -40.33(2) ? 7_556 . . .
Cl(1) Ca(3) P(1) O(1) -40.33(2) ? 7_556 . . .
Cl(1) Ca(3) P(1) O(2) 139.67(2) ? 7_556 . . .
Cl(1) Ca(3) P(1) O(3) -125.31(5) ? 7_556 . . .
Cl(1) Ca(3) P(1) O(3) 44.66(4) ? 7_556 . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -43.84(3) ? . . 7_556 2_555
P(1) Ca(3) Cl(1) Ca(3) 43.93(2) ? . . 7_556 3_555
P(1) Ca(3) Cl(1) Ca(3) 85.77(11) ? . . 7_556 4_555
P(1) Ca(3) Cl(1) Ca(3) 127.62(3) ? . . 7_556 5_555
P(1) Ca(3) Cl(1) Ca(3) -144.62(2) ? . . 7_556 6_555
P(1) Ca(3) Cl(1) Ca(2) 52(2) ? . . 7_556 .
P(1) Ca(3) Cl(1) Ca(2) -43.8(2) ? . . 7_556 2_555
P(1) Ca(3) Cl(1) Ca(2) 47.00(15) ? . . 7_556 3_555
P(1) Ca(3) Cl(1) Ca(2) 96.8(12) ? . . 7_556 4_555
P(1) Ca(3) Cl(1) Ca(2) 127.2(2) ? . . 7_556 5_555
P(1) Ca(3) Cl(1) Ca(2) -141.60(18) ? . . 7_556 6_555
P(1) Ca(3) Cl(1) Cl(1) 85.77(2) ? . . 7_556 .
P(1) Ca(3) Cl(1) F(1) -94.23(2) ? . . 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) -129.61(3) ? . . 7_556 2_555
F(1) Ca(3) Cl(1) Ca(3) -41.85(2) ? . . 7_556 3_555
F(1) Ca(3) Cl(1) Ca(3) 41.85(2) ? . . 7_556 5_555
F(1) Ca(3) Cl(1) Ca(3) 129.61(2) ? . . 7_556 6_555
F(1) Ca(3) Cl(1) Ca(2) -34(2) ? . . 7_556 .
F(1) Ca(3) Cl(1) Ca(2) -129.5(2) ? . . 7_556 2_555
F(1) Ca(3) Cl(1) Ca(2) -38.77(15) ? . . 7_556 3_555
F(1) Ca(3) Cl(1) Ca(2) 11.0(12) ? . . 7_556 4_555
F(1) Ca(3) Cl(1) Ca(2) 41.4(2) ? . . 7_556 5_555
F(1) Ca(3) Cl(1) Ca(2) 132.62(18) ? . . 7_556 6_555
Cl(1) Ca(3) O(1) P(1) 40.68(2) ? 7_556 . 5_555 5_555
O(1) Ca(3) Cl(1) Ca(3) 133.16(3) ? 5_555 . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(3) -139.07(3) ? 5_555 . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(3) -97.23(12) ? 5_555 . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(3) -55.38(3) ? 5_555 . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(3) 32.38(3) ? 5_555 . 7_556 6_555
O(1) Ca(3) Cl(1) Ca(2) -131(2) ? 5_555 . 7_556 .
O(1) Ca(3) Cl(1) Ca(2) 133.2(2) ? 5_555 . 7_556 2_555
O(1) Ca(3) Cl(1) Ca(2) -136.00(15) ? 5_555 . 7_556 3_555
O(1) Ca(3) Cl(1) Ca(2) -86.2(12) ? 5_555 . 7_556 4_555
O(1) Ca(3) Cl(1) Ca(2) -55.8(2) ? 5_555 . 7_556 5_555
O(1) Ca(3) Cl(1) Ca(2) 35.40(18) ? 5_555 . 7_556 6_555
O(1) Ca(3) Cl(1) Cl(1) -97.23(2) ? 5_555 . 7_556 .
O(1) Ca(3) Cl(1) F(1) 82.77(2) ? 5_555 . 7_556 2_555
Cl(1) Ca(3) O(2) Ca(1) -11.69(8) ? 7_556 . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -112.66(4) ? 7_556 . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) 117.83(6) ? 7_556 . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) -62.17(6) ? 7_556 . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) 12.75(7) ? 3_655 . 7_556 2_555
O(2) Ca(3) Cl(1) Ca(3) 100.52(7) ? 3_655 . 7_556 3_555
O(2) Ca(3) Cl(1) Ca(3) 142.36(10) ? 3_655 . 7_556 4_555
O(2) Ca(3) Cl(1) Ca(3) -175.79(7) ? 3_655 . 7_556 5_555
O(2) Ca(3) Cl(1) Ca(3) -88.03(7) ? 3_655 . 7_556 6_555
O(2) Ca(3) Cl(1) Ca(2) 109(2) ? 3_655 . 7_556 .
O(2) Ca(3) Cl(1) Ca(2) 12.8(2) ? 3_655 . 7_556 2_555
O(2) Ca(3) Cl(1) Ca(2) 103.59(17) ? 3_655 . 7_556 3_555
O(2) Ca(3) Cl(1) Ca(2) 153.4(12) ? 3_655 . 7_556 4_555
O(2) Ca(3) Cl(1) Ca(2) -176.3(2) ? 3_655 . 7_556 5_555
O(2) Ca(3) Cl(1) Ca(2) -85.01(19) ? 3_655 . 7_556 6_555
O(2) Ca(3) Cl(1) Cl(1) 142.36(8) ? 3_655 . 7_556 .
O(2) Ca(3) Cl(1) F(1) -37.64(8) ? 3_655 . 7_556 2_555
Cl(1) Ca(3) O(3) Ca(1) 148.12(2) ? 7_556 . . 7_665
Cl(1) Ca(3) O(3) Ca(2) -22.5(14) ? 7_556 . . .
Cl(1) Ca(3) O(3) P(1) 56.13(4) ? 7_556 . . .
Cl(1) Ca(3) O(3) Ca(3) -103.97(5) ? 7_556 . . 2_554
Cl(1) Ca(3) O(3) Ca(2) -99.6(4) ? 7_556 . . 2_554
O(3) Ca(3) Cl(1) Ca(3) -67.74(3) ? . . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(3) 20.03(3) ? . . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(3) 61.87(12) ? . . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(3) 103.72(3) ? . . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(3) -168.52(3) ? . . 7_556 6_555
O(3) Ca(3) Cl(1) Ca(2) 28(2) ? . . 7_556 .
O(3) Ca(3) Cl(1) Ca(2) -67.7(2) ? . . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(2) 23.10(15) ? . . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(2) 72.9(12) ? . . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(2) 103.3(2) ? . . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(2) -165.51(18) ? . . 7_556 6_555
O(3) Ca(3) Cl(1) Cl(1) 61.87(3) ? . . 7_556 .
O(3) Ca(3) Cl(1) F(1) -118.13(3) ? . . 7_556 2_555
Cl(1) Ca(3) O(3) Ca(3) 38.28(4) ? 7_556 . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) 32.7(3) ? 7_556 . 6_555 6_555
Cl(1) Ca(3) O(3) P(1) -110.45(9) ? 7_556 . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) -9(2) ? 7_556 . 6_555 .
O(3) Ca(3) Cl(1) Ca(3) 71.22(3) ? 6_555 . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(3) 158.98(2) ? 6_555 . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(3) -159.17(11) ? 6_555 . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(3) -117.32(3) ? 6_555 . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(3) -29.56(2) ? 6_555 . 7_556 6_555
O(3) Ca(3) Cl(1) Ca(2) 167(2) ? 6_555 . 7_556 .
O(3) Ca(3) Cl(1) Ca(2) 71.3(2) ? 6_555 . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(2) 162.06(15) ? 6_555 . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(2) -148.1(12) ? 6_555 . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(2) -117.8(2) ? 6_555 . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(2) -26.55(18) ? 6_555 . 7_556 6_555
O(3) Ca(3) Cl(1) Cl(1) -159.17(3) ? 6_555 . 7_556 .
O(3) Ca(3) Cl(1) F(1) 20.83(3) ? 6_555 . 7_556 2_555
Cl(1) Ca(3) O(3) Ca(2) 42(2) ? 7_556 . 9_555 .
O(3) Ca(3) Cl(1) Ca(3) -158.73(7) ? 9_555 . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(3) -70.97(7) ? 9_555 . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(3) -29.12(17) ? 9_555 . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(3) 12.73(7) ? 9_555 . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(3) 100.49(7) ? 9_555 . 7_556 6_555
O(3) Ca(3) Cl(1) Ca(2) -63(2) ? 9_555 . 7_556 .
O(3) Ca(3) Cl(1) Ca(2) -158.7(2) ? 9_555 . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(2) -67.89(17) ? 9_555 . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(2) -18.1(12) ? 9_555 . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(2) 12.3(2) ? 9_555 . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(2) 103.50(19) ? 9_555 . 7_556 6_555
O(3) Ca(3) Cl(1) Cl(1) -29.12(6) ? 9_555 . 7_556 .
O(3) Ca(3) Cl(1) F(1) 150.88(6) ? 9_555 . 7_556 2_555
Cl(1) Ca(3) O(3) Ca(2) -50.9(14) ? 7_556 . 10_555 .
Cl(1) Ca(3) O(3) P(1) -129.48(4) ? 7_556 . 10_555 .
O(3) Ca(3) Cl(1) Ca(3) -21.71(3) ? 10_555 . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(3) 66.05(3) ? 10_555 . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(3) 107.90(11) ? 10_555 . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(3) 149.74(3) ? 10_555 . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(3) -122.49(3) ? 10_555 . 7_556 6_555
O(3) Ca(3) Cl(1) Ca(2) 74(2) ? 10_555 . 7_556 .
O(3) Ca(3) Cl(1) Ca(2) -21.6(2) ? 10_555 . 7_556 2_555
O(3) Ca(3) Cl(1) Ca(2) 69.13(15) ? 10_555 . 7_556 3_555
O(3) Ca(3) Cl(1) Ca(2) 118.9(12) ? 10_555 . 7_556 4_555
O(3) Ca(3) Cl(1) Ca(2) 149.3(2) ? 10_555 . 7_556 5_555
O(3) Ca(3) Cl(1) Ca(2) -119.48(18) ? 10_555 . 7_556 6_555
O(3) Ca(3) Cl(1) Cl(1) 107.90(3) ? 10_555 . 7_556 .
O(3) Ca(3) Cl(1) F(1) -72.10(3) ? 10_555 . 7_556 2_555
Cl(1) Ca(3) P(1) Ca(1) 174.40(2) ? 8_555 . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -119.517(19) ? 8_555 . . 7_665
Cl(1) Ca(3) P(1) Ca(2) 27.44(2) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(1) 27.44(2) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(2) -152.56(2) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(3) -57.55(4) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(3) 112.43(5) ? 8_555 . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -35.44(2) ? . . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(3) -138.54(2) ? . . 8_555 5_555
P(1) Ca(3) Cl(1) Ca(2) -44(3) ? . . 8_555 .
P(1) Ca(3) Cl(1) Ca(2) -38.52(15) ? . . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(2) -138.1(2) ? . . 8_555 5_555
P(1) Ca(3) Cl(1) F(1) -86.991(19) ? . . 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) 51.55(2) ? . . 8_555 3_555
F(1) Ca(3) Cl(1) Ca(3) -51.55(2) ? . . 8_555 5_555
F(1) Ca(3) Cl(1) Ca(2) 43(3) ? . . 8_555 .
F(1) Ca(3) Cl(1) Ca(2) 48.48(15) ? . . 8_555 3_555
F(1) Ca(3) Cl(1) Ca(2) -51.1(2) ? . . 8_555 5_555
Cl(1) Ca(3) O(1) P(1) -27.73(2) ? 8_555 . 5_555 5_555
O(1) Ca(3) Cl(1) Ca(3) 146.70(2) ? 5_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) 43.61(3) ? 5_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) 138(3) ? 5_555 . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) 143.63(15) ? 5_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) 44.1(2) ? 5_555 . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) 95.15(2) ? 5_555 . 8_555 .
Cl(1) Ca(3) O(2) Ca(1) 99.69(5) ? 8_555 . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -1.27(10) ? 8_555 . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) -130.79(7) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) 49.21(7) ? 8_555 . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) -81.14(8) ? 3_655 . 8_555 3_555
O(2) Ca(3) Cl(1) Ca(3) 175.77(7) ? 3_655 . 8_555 5_555
O(2) Ca(3) Cl(1) Ca(2) -90(3) ? 3_655 . 8_555 .
O(2) Ca(3) Cl(1) Ca(2) -84.21(17) ? 3_655 . 8_555 3_555
O(2) Ca(3) Cl(1) Ca(2) 176.2(2) ? 3_655 . 8_555 5_555
O(2) Ca(3) Cl(1) F(1) -132.68(8) ? 3_655 . 8_555 .
Cl(1) Ca(3) O(3) Ca(1) -151.57(2) ? 8_555 . . 7_665
Cl(1) Ca(3) O(3) Ca(2) 37.8(14) ? 8_555 . . .
Cl(1) Ca(3) O(3) P(1) 116.43(4) ? 8_555 . . .
Cl(1) Ca(3) O(3) Ca(3) -43.67(6) ? 8_555 . . 2_554
Cl(1) Ca(3) O(3) Ca(2) -39.3(4) ? 8_555 . . 2_554
O(3) Ca(3) Cl(1) Ca(3) -61.39(2) ? . . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) -164.49(3) ? . . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(2) -70(3) ? . . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) -64.46(15) ? . . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) -164.0(2) ? . . 8_555 5_555
O(3) Ca(3) Cl(1) F(1) -112.94(2) ? . . 8_555 .
Cl(1) Ca(3) O(3) Ca(3) 13.86(8) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) 8.3(3) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(3) P(1) -134.87(7) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) -34(2) ? 8_555 . 6_555 .
O(3) Ca(3) Cl(1) Ca(3) 75.28(5) ? 6_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) -27.82(6) ? 6_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(2) 67(3) ? 6_555 . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) 72.20(16) ? 6_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) -27.4(2) ? 6_555 . 8_555 5_555
O(3) Ca(3) Cl(1) F(1) 23.73(4) ? 6_555 . 8_555 .
Cl(1) Ca(3) O(3) Ca(2) 14(2) ? 8_555 . 9_555 .
O(3) Ca(3) Cl(1) Ca(3) -147.68(3) ? 9_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) 109.23(3) ? 9_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(2) -156(3) ? 9_555 . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) -150.75(15) ? 9_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) 109.7(2) ? 9_555 . 8_555 5_555
O(3) Ca(3) Cl(1) F(1) 160.78(3) ? 9_555 . 8_555 .
Cl(1) Ca(3) O(3) Ca(2) 11.1(14) ? 8_555 . 10_555 .
Cl(1) Ca(3) O(3) P(1) -67.50(4) ? 8_555 . 10_555 .
O(3) Ca(3) Cl(1) Ca(3) -8.61(3) ? 10_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) -111.70(3) ? 10_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(2) -17(3) ? 10_555 . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) -11.68(16) ? 10_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) -111.2(2) ? 10_555 . 8_555 5_555
O(3) Ca(3) Cl(1) F(1) -60.16(2) ? 10_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) 146.957(6) ? . . . 2_655
F(1) Ca(3) P(1) Ca(1) -146.958(6) ? . . . 7_665
F(1) Ca(3) P(1) O(3) -84.99(4) ? . . . .
F(1) Ca(3) P(1) O(3) 84.99(4) ? . . . 10_555
O(1) Ca(3) P(1) Ca(1) -33.043(6) ? 5_555 . . 2_655
O(1) Ca(3) P(1) Ca(1) 33.042(6) ? 5_555 . . 7_665
O(1) Ca(3) P(1) O(3) 95.01(4) ? 5_555 . . .
O(1) Ca(3) P(1) O(3) -95.01(4) ? 5_555 . . 10_555
P(1) Ca(3) O(2) Ca(1) 50.48(3) ? . . 3_655 2_655
P(1) Ca(3) O(2) Ca(1) -50.48(3) ? . . 3_655 7_665
O(2) Ca(3) P(1) Ca(1) -33.043(6) ? 3_655 . . 2_655
O(2) Ca(3) P(1) Ca(1) 33.042(6) ? 3_655 . . 7_665
O(2) Ca(3) P(1) O(3) 95.01(4) ? 3_655 . . .
O(2) Ca(3) P(1) O(3) -95.01(4) ? 3_655 . . 10_555
P(1) Ca(3) O(3) Ca(1) 91.99(3) ? . . . 7_665
P(1) Ca(3) O(3) Ca(2) -78.6(14) ? . . . .
P(1) Ca(3) O(3) Ca(3) -160.11(8) ? . . . 2_554
P(1) Ca(3) O(3) Ca(2) -155.7(4) ? . . . 2_554
O(3) Ca(3) P(1) Ca(1) -128.06(4) ? . . . 2_655
O(3) Ca(3) P(1) Ca(1) -61.97(4) ? . . . 7_665
O(3) Ca(3) P(1) Ca(2) 84.99(4) ? . . . .
O(3) Ca(3) P(1) O(1) 84.99(4) ? . . . .
O(3) Ca(3) P(1) O(2) -95.01(4) ? . . . .
O(3) Ca(3) P(1) O(3) 169.97(7) ? . . . 10_555
P(1) Ca(3) O(3) Ca(3) 112.03(5) ? . . 6_555 6_555
P(1) Ca(3) O(3) Ca(2) 106.5(3) ? . . 6_555 6_555
P(1) Ca(3) O(3) P(1) -36.71(12) ? . . 6_555 6_555
P(1) Ca(3) O(3) Ca(2) 64(2) ? . . 6_555 .
O(3) Ca(3) P(1) Ca(1) 46.61(5) ? 6_555 . . 2_655
O(3) Ca(3) P(1) Ca(1) 112.70(6) ? 6_555 . . 7_665
O(3) Ca(3) P(1) Ca(2) -100.35(5) ? 6_555 . . .
O(3) Ca(3) P(1) O(1) -100.35(5) ? 6_555 . . .
O(3) Ca(3) P(1) O(2) 79.65(5) ? 6_555 . . .
O(3) Ca(3) P(1) O(3) 174.67(8) ? 6_555 . . .
O(3) Ca(3) P(1) O(3) -15.36(5) ? 6_555 . . 10_555
P(1) Ca(3) O(3) Ca(2) -64(2) ? . . 9_555 .
O(3) Ca(3) P(1) Ca(1) -112.70(6) ? 9_555 . . 2_655
O(3) Ca(3) P(1) Ca(1) -46.61(5) ? 9_555 . . 7_665
O(3) Ca(3) P(1) Ca(2) 100.35(5) ? 9_555 . . .
O(3) Ca(3) P(1) O(1) 100.35(5) ? 9_555 . . .
O(3) Ca(3) P(1) O(2) -79.65(5) ? 9_555 . . .
O(3) Ca(3) P(1) O(3) 15.36(5) ? 9_555 . . .
O(3) Ca(3) P(1) O(3) -174.67(8) ? 9_555 . . 10_555
P(1) Ca(3) O(3) Ca(2) 78.6(14) ? . . 10_555 .
O(3) Ca(3) P(1) Ca(1) 61.97(4) ? 10_555 . . 2_655
O(3) Ca(3) P(1) Ca(1) 128.06(4) ? 10_555 . . 7_665
O(3) Ca(3) P(1) Ca(2) -84.99(4) ? 10_555 . . .
O(3) Ca(3) P(1) O(1) -84.99(4) ? 10_555 . . .
O(3) Ca(3) P(1) O(2) 95.01(4) ? 10_555 . . .
O(3) Ca(3) P(1) O(3) -169.97(7) ? 10_555 . . .
O(1) Ca(3) F(1) Cl(1) 90.0 ? 5_555 . . .
O(1) Ca(3) F(1) Cl(1) -90.0 ? 5_555 . . 8_555
F(1) Ca(3) O(2) Ca(1) 50.48(3) ? . . 3_655 2_655
F(1) Ca(3) O(2) Ca(1) -50.48(3) ? . . 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
F(1) Ca(3) O(3) Ca(1) -176.822(18) ? . . . 7_665
F(1) Ca(3) O(3) Ca(2) 12.6(14) ? . . . .
F(1) Ca(3) O(3) P(1) 91.19(3) ? . . . .
F(1) Ca(3) O(3) Ca(3) -68.92(6) ? . . . 2_554
F(1) Ca(3) O(3) Ca(2) -64.5(4) ? . . . 2_554
O(3) Ca(3) F(1) Ca(3) -29.287(16) ? . . . 3_555
O(3) Ca(3) F(1) Ca(3) 150.713(16) ? . . . 5_555
O(3) Ca(3) F(1) Ca(2) -29.287(16) ? . . . .
O(3) Ca(3) F(1) Cl(1) -119.287(16) ? . . . .
O(3) Ca(3) F(1) Ca(2) -29.287(16) ? . . . 3_555
O(3) Ca(3) F(1) Ca(2) 150.713(16) ? . . . 5_555
O(3) Ca(3) F(1) Cl(1) 60.713(16) ? . . . 8_555
F(1) Ca(3) O(3) Ca(3) 24.73(6) ? . . 6_555 6_555
F(1) Ca(3) O(3) Ca(2) 19.2(3) ? . . 6_555 6_555
F(1) Ca(3) O(3) P(1) -124.00(8) ? . . 6_555 6_555
F(1) Ca(3) O(3) Ca(2) -23(2) ? . . 6_555 .
O(3) Ca(3) F(1) Ca(3) 109.07(3) ? 6_555 . . 3_555
O(3) Ca(3) F(1) Ca(3) -70.93(3) ? 6_555 . . 5_555
O(3) Ca(3) F(1) Ca(2) 109.07(3) ? 6_555 . . .
O(3) Ca(3) F(1) Cl(1) 19.07(3) ? 6_555 . . .
O(3) Ca(3) F(1) Ca(2) 109.07(3) ? 6_555 . . 3_555
O(3) Ca(3) F(1) Ca(2) -70.93(3) ? 6_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) -160.93(3) ? 6_555 . . 8_555
F(1) Ca(3) O(3) Ca(2) 23(2) ? . . 9_555 .
O(3) Ca(3) F(1) Ca(3) -109.07(3) ? 9_555 . . 3_555
O(3) Ca(3) F(1) Ca(3) 70.93(3) ? 9_555 . . 5_555
O(3) Ca(3) F(1) Ca(2) -109.07(3) ? 9_555 . . .
O(3) Ca(3) F(1) Cl(1) 160.93(3) ? 9_555 . . .
O(3) Ca(3) F(1) Ca(2) -109.07(3) ? 9_555 . . 3_555
O(3) Ca(3) F(1) Ca(2) 70.93(3) ? 9_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) -19.07(3) ? 9_555 . . 8_555
F(1) Ca(3) O(3) Ca(2) -12.6(14) ? . . 10_555 .
F(1) Ca(3) O(3) P(1) -91.19(3) ? . . 10_555 .
O(3) Ca(3) F(1) Ca(3) 29.287(16) ? 10_555 . . 3_555
O(3) Ca(3) F(1) Ca(3) -150.713(16) ? 10_555 . . 5_555
O(3) Ca(3) F(1) Ca(2) 29.287(16) ? 10_555 . . .
O(3) Ca(3) F(1) Cl(1) -60.713(16) ? 10_555 . . .
O(3) Ca(3) F(1) Ca(2) 29.287(16) ? 10_555 . . 3_555
O(3) Ca(3) F(1) Ca(2) -150.713(16) ? 10_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) 119.287(16) ? 10_555 . . 8_555
O(1) Ca(3) O(2) Ca(1) -129.52(3) ? 5_555 . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) 129.52(3) ? 5_555 . 3_655 7_665
O(1) Ca(3) O(3) Ca(1) -78.55(14) ? 5_555 . . 7_665
O(1) Ca(3) O(3) Ca(2) 110.8(14) ? 5_555 . . .
O(1) Ca(3) O(3) P(1) -170.54(13) ? 5_555 . . .
O(1) Ca(3) O(3) Ca(3) 29.35(17) ? 5_555 . . 2_554
O(1) Ca(3) O(3) Ca(2) 33.8(4) ? 5_555 . . 2_554
O(3) Ca(3) O(1) P(1) -93.26(14) ? . . 5_555 5_555
O(1) Ca(3) O(3) Ca(3) -72.80(5) ? 5_555 . 6_555 6_555
O(1) Ca(3) O(3) Ca(2) -78.4(3) ? 5_555 . 6_555 6_555
O(1) Ca(3) O(3) P(1) 138.46(9) ? 5_555 . 6_555 6_555
O(1) Ca(3) O(3) Ca(2) -121(2) ? 5_555 . 6_555 .
O(3) Ca(3) O(1) P(1) 98.67(3) ? 6_555 . 5_555 5_555
O(1) Ca(3) O(3) Ca(2) 121(2) ? 5_555 . 9_555 .
O(3) Ca(3) O(1) P(1) -98.67(3) ? 9_555 . 5_555 5_555
O(1) Ca(3) O(3) Ca(2) -110.8(14) ? 5_555 . 10_555 .
O(1) Ca(3) O(3) P(1) 170.54(13) ? 5_555 . 10_555 .
O(3) Ca(3) O(1) P(1) 93.26(14) ? 10_555 . 5_555 5_555
O(2) Ca(3) O(3) Ca(1) 16.20(2) ? 3_655 . . 7_665
O(2) Ca(3) O(3) Ca(2) -154.4(14) ? 3_655 . . .
O(2) Ca(3) O(3) P(1) -75.79(4) ? 3_655 . . .
O(2) Ca(3) O(3) Ca(3) 124.10(6) ? 3_655 . . 2_554
O(2) Ca(3) O(3) Ca(2) 128.5(4) ? 3_655 . . 2_554
O(3) Ca(3) O(2) Ca(1) 80.56(3) ? . . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) -20.41(3) ? . . 3_655 7_665
O(3) Ca(3) O(2) P(1) -149.925(19) ? . . 3_655 3_655
O(3) Ca(3) O(2) Ca(2) 30.075(19) ? . . 3_655 .
O(2) Ca(3) O(3) Ca(3) 179.83(5) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(3) Ca(2) 174.3(3) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(3) P(1) 31.09(11) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(3) Ca(2) 132(2) ? 3_655 . 6_555 .
O(3) Ca(3) O(2) Ca(1) -61.76(5) ? 6_555 . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) -162.72(4) ? 6_555 . 3_655 7_665
O(3) Ca(3) O(2) P(1) 67.76(3) ? 6_555 . 3_655 3_655
O(3) Ca(3) O(2) Ca(2) -112.24(3) ? 6_555 . 3_655 .
O(2) Ca(3) O(3) Ca(2) -132(2) ? 3_655 . 9_555 .
O(3) Ca(3) O(2) Ca(1) 162.72(4) ? 9_555 . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) 61.76(5) ? 9_555 . 3_655 7_665
O(3) Ca(3) O(2) P(1) -67.76(3) ? 9_555 . 3_655 3_655
O(3) Ca(3) O(2) Ca(2) 112.24(3) ? 9_555 . 3_655 .
O(2) Ca(3) O(3) Ca(2) 154.4(14) ? 3_655 . 10_555 .
O(2) Ca(3) O(3) P(1) 75.79(4) ? 3_655 . 10_555 .
O(3) Ca(3) O(2) Ca(1) 20.41(3) ? 10_555 . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) -80.56(3) ? 10_555 . 3_655 7_665
O(3) Ca(3) O(2) P(1) 149.925(19) ? 10_555 . 3_655 3_655
O(3) Ca(3) O(2) Ca(2) -30.075(19) ? 10_555 . 3_655 .
O(3) Ca(3) O(3) Ca(3) 115.96(10) ? . . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) 110.4(3) ? . . 6_555 6_555
O(3) Ca(3) O(3) P(1) -32.77(18) ? . . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) 68(2) ? . . 6_555 .
O(3) Ca(3) O(3) Ca(1) 84.36(11) ? 6_555 . . 7_665
O(3) Ca(3) O(3) Ca(2) -86.3(14) ? 6_555 . . .
O(3) Ca(3) O(3) P(1) -7.63(12) ? 6_555 . . .
O(3) Ca(3) O(3) Ca(3) -167.74(10) ? 6_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) -163.3(4) ? 6_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) -57(2) ? . . 9_555 .
O(3) Ca(3) O(3) Ca(1) -73.44(4) ? 9_555 . . 7_665
O(3) Ca(3) O(3) Ca(2) 115.9(14) ? 9_555 . . .
O(3) Ca(3) O(3) P(1) -165.43(5) ? 9_555 . . .
O(3) Ca(3) O(3) Ca(3) 34.46(8) ? 9_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) 38.9(4) ? 9_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) 72.9(14) ? . . 10_555 .
O(3) Ca(3) O(3) P(1) -5.73(4) ? . . 10_555 .
O(3) Ca(3) O(3) Ca(1) 97.72(3) ? 10_555 . . 7_665
O(3) Ca(3) O(3) Ca(2) -72.9(14) ? 10_555 . . .
O(3) Ca(3) O(3) P(1) 5.73(4) ? 10_555 . . .
O(3) Ca(3) O(3) Ca(3) -154.38(6) ? 10_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) -150.0(4) ? 10_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) 144(2) ? 6_555 . 9_555 .
O(3) Ca(3) O(3) Ca(3) -96.13(10) ? 9_555 . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) -101.7(3) ? 9_555 . 6_555 6_555
O(3) Ca(3) O(3) P(1) 115.13(9) ? 9_555 . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) -144(2) ? 9_555 . 6_555 .
O(3) Ca(3) O(3) Ca(2) -115.9(14) ? 6_555 . 10_555 .
O(3) Ca(3) O(3) P(1) 165.43(5) ? 6_555 . 10_555 .
O(3) Ca(3) O(3) Ca(3) 104.55(5) ? 10_555 . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) 99.0(3) ? 10_555 . 6_555 6_555
O(3) Ca(3) O(3) P(1) -44.19(10) ? 10_555 . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) 57(2) ? 10_555 . 6_555 .
O(3) Ca(3) O(3) Ca(2) 86.3(14) ? 9_555 . 10_555 .
O(3) Ca(3) O(3) P(1) 7.63(12) ? 9_555 . 10_555 .
O(3) Ca(3) O(3) Ca(2) -68(2) ? 10_555 . 9_555 .
Ca(3) Ca(2) Cl(1) Ca(3) 84(3) ? . . . 2_555
Ca(3) Ca(2) Cl(1) Ca(3) 171(2) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 54(3) ? . . . 4_555
Ca(3) Ca(2) Cl(1) Ca(3) -86(3) ? . . . 5_555
Ca(3) Ca(2) Cl(1) Ca(3) 1(3) ? . . . 6_555
Ca(3) Ca(2) Cl(1) F(1) -136(3) ? . . . .
Ca(3) Ca(2) Cl(1) Ca(2) 84(3) ? . . . 2_555
Ca(3) Ca(2) Cl(1) Ca(2) 175(2) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 44(3) ? . . . 4_555
Ca(3) Ca(2) Cl(1) Ca(2) -86(3) ? . . . 5_555
Ca(3) Ca(2) Cl(1) Ca(2) 5(3) ? . . . 6_555
Ca(3) Ca(2) Cl(1) Cl(1) 44(3) ? . . . 7_556
Ca(3) Ca(2) Cl(1) Ca(3) -172(2) ? . . 2_554 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 104(2) ? . . 2_554 5_555
Ca(3) Ca(2) Cl(1) Ca(3) -84(2) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) Ca(2) -84(2) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) F(1) -35(2) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) Ca(2) -175(2) ? . . 2_554 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 105(2) ? . . 2_554 5_555
Ca(3) Ca(2) Cl(1) Ca(3) 84(2) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(3) 172(2) ? . . 7_556 3_555
Ca(3) Ca(2) Cl(1) Ca(3) -153(2) ? . . 7_556 4_555
Ca(3) Ca(2) Cl(1) Ca(3) -104(2) ? . . 7_556 5_555
Ca(3) Ca(2) Cl(1) Ca(3) -17(2) ? . . 7_556 6_555
Ca(3) Ca(2) Cl(1) Ca(2) 84(2) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(2) 175(2) ? . . 7_556 3_555
Ca(3) Ca(2) Cl(1) Ca(2) -145(2) ? . . 7_556 4_555
Ca(3) Ca(2) Cl(1) Ca(2) -105(2) ? . . 7_556 5_555
Ca(3) Ca(2) Cl(1) Ca(2) -14(2) ? . . 7_556 6_555
Ca(3) Ca(2) Cl(1) Cl(1) -145(2) ? . . 7_556 .
Ca(3) Ca(2) Cl(1) F(1) 35(2) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(3) -171(2) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 86(3) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) Ca(2) -175(2) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 86(3) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) F(1) 136(3) ? . . 8_555 .
Ca(3) Ca(2) P(1) Ca(1) -32.65(2) ? . . . 2_655
Ca(3) Ca(2) P(1) Ca(1) 32.65(2) ? . . . 7_665
Ca(3) Ca(2) P(1) O(3) 92.1(2) ? . . . .
Ca(3) Ca(2) P(1) O(3) -92.1(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(2) Ca(1) -130.93(9) ? . . 3_655 2_655
Ca(3) Ca(2) O(2) Ca(1) 130.93(9) ? . . 3_655 7_665
Ca(3) Ca(2) O(3) Ca(1) -9.5(14) ? . . . 7_665
Ca(3) Ca(2) O(3) P(1) -101.9(13) ? . . . .
Ca(3) Ca(2) O(3) Ca(3) 101.2(14) ? . . . 2_554
Ca(3) Ca(2) O(3) Ca(2) 105.2(15) ? . . . 2_554
Ca(3) Ca(2) O(3) Ca(3) -134(2) ? . . 6_555 6_555
Ca(3) Ca(2) O(3) Ca(2) -140(2) ? . . 6_555 6_555
Ca(3) Ca(2) O(3) P(1) 85(2) ? . . 6_555 6_555
Ca(3) Ca(2) O(3) P(1) 101.9(13) ? . . 10_555 .
Cl(1) Ca(2) Cl(1) Ca(3) -145(2) ? . . 2_554 .
Cl(1) Ca(2) Cl(1) Ca(3) 43.48(16) ? . . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -40.68(15) ? . . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 131.31(18) ? . . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 131.1(3) ? . . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 40.4(2) ? . . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.4(2) ? . . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 136(3) ? 2_554 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -139.75(13) ? 2_554 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -52.60(14) ? 2_554 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -170.3(11) ? 2_554 . . 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 49.85(16) ? 2_554 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 137.37(12) ? 2_554 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -140.5(2) ? 2_554 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -49.6(2) ? 2_554 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 49.6(2) ? 2_554 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 140.50(18) ? 2_554 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) 145(2) ? . . 7_556 .
Cl(1) Ca(2) Cl(1) Ca(3) -131.31(18) ? . . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -43.48(16) ? . . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -7.9(8) ? . . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 40.68(15) ? . . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 128.06(17) ? . . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -131.1(3) ? . . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.4(2) ? . . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 40.4(2) ? . . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 131.1(2) ? . . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -44(3) ? 7_556 . . .
Cl(1) Ca(2) Cl(1) Ca(3) 40.25(13) ? 7_556 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.40(14) ? 7_556 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 9.7(11) ? 7_556 . . 4_555
Cl(1) Ca(2) Cl(1) Ca(3) -130.15(16) ? 7_556 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -42.63(12) ? 7_556 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.5(2) ? 7_556 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.4(2) ? 7_556 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.4(2) ? 7_556 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.50(18) ? 7_556 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -136(3) ? . . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 52.60(14) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -49.85(16) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 49.6(2) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -49.6(2) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 136(3) ? 8_555 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -139.75(13) ? 8_555 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -52.60(14) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -170.3(11) ? 8_555 . . 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 49.85(16) ? 8_555 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 137.37(12) ? 8_555 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -140.5(2) ? 8_555 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -49.6(2) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 49.6(2) ? 8_555 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 140.50(18) ? 8_555 . . 6_555
Cl(1) Ca(2) P(1) Ca(1) 117.87(15) ? . . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -176.8(2) ? . . . 7_665
Cl(1) Ca(2) P(1) Ca(3) 150.52(17) ? . . . .
Cl(1) Ca(2) P(1) O(1) -29.48(17) ? . . . .
Cl(1) Ca(2) P(1) O(2) 150.52(17) ? . . . .
Cl(1) Ca(2) P(1) O(3) -117.3(4) ? . . . .
Cl(1) Ca(2) P(1) O(3) 58.37(6) ? . . . 10_555
P(1) Ca(2) Cl(1) Ca(3) -134(3) ? . . . .
P(1) Ca(2) Cl(1) Ca(3) -49.85(14) ? . . . 2_555
P(1) Ca(2) Cl(1) Ca(3) 37.29(16) ? . . . 3_555
P(1) Ca(2) Cl(1) Ca(3) -80.4(13) ? . . . 4_555
P(1) Ca(2) Cl(1) Ca(3) 139.74(12) ? . . . 5_555
P(1) Ca(2) Cl(1) Ca(3) -132.74(15) ? . . . 6_555
P(1) Ca(2) Cl(1) F(1) 89.9(2) ? . . . .
P(1) Ca(2) Cl(1) Ca(2) -50.6(2) ? . . . 2_555
P(1) Ca(2) Cl(1) Ca(2) 40.3(2) ? . . . 3_555
P(1) Ca(2) Cl(1) Ca(2) -90.1(13) ? . . . 4_555
P(1) Ca(2) Cl(1) Ca(2) 139.4(2) ? . . . 5_555
P(1) Ca(2) Cl(1) Ca(2) -129.6(2) ? . . . 6_555
P(1) Ca(2) Cl(1) Cl(1) -90.1(2) ? . . . 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) 136(3) ? . . . .
F(1) Ca(2) Cl(1) Ca(3) -139.75(13) ? . . . 2_555
F(1) Ca(2) Cl(1) Ca(3) -52.60(14) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(3) -170.3(11) ? . . . 4_555
F(1) Ca(2) Cl(1) Ca(3) 49.85(16) ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(3) 137.37(12) ? . . . 6_555
F(1) Ca(2) Cl(1) Ca(2) -140.5(2) ? . . . 2_555
F(1) Ca(2) Cl(1) Ca(2) -49.6(2) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(2) 49.6(2) ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(2) 140.50(18) ? . . . 6_555
Cl(1) Ca(2) O(2) Ca(1) -10.0(8) ? . . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -108.1(7) ? . . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) 120.9(7) ? . . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 120.9(7) ? . . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) -80(2) ? 3_655 . . .
O(2) Ca(2) Cl(1) Ca(3) 4.1(7) ? 3_655 . . 2_555
O(2) Ca(2) Cl(1) Ca(3) 91.2(7) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(3) -27(2) ? 3_655 . . 4_555
O(2) Ca(2) Cl(1) Ca(3) -166.3(7) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) Ca(3) -78.8(8) ? 3_655 . . 6_555
O(2) Ca(2) Cl(1) F(1) 143.8(9) ? 3_655 . . .
O(2) Ca(2) Cl(1) Ca(2) 3.3(8) ? 3_655 . . 2_555
O(2) Ca(2) Cl(1) Ca(2) 94.3(8) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(2) -36.2(19) ? 3_655 . . 4_555
O(2) Ca(2) Cl(1) Ca(2) -166.6(8) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) Ca(2) -75.7(8) ? 3_655 . . 6_555
O(2) Ca(2) Cl(1) Cl(1) -36.2(9) ? 3_655 . . 7_556
Cl(1) Ca(2) O(3) Ca(1) 158.26(18) ? . . . 7_665
Cl(1) Ca(2) O(3) Ca(3) 167.8(15) ? . . . .
Cl(1) Ca(2) O(3) P(1) 65.9(2) ? . . . .
Cl(1) Ca(2) O(3) Ca(3) -91.05(16) ? . . . 2_554
Cl(1) Ca(2) O(3) Ca(2) -87.1(4) ? . . . 2_554
O(3) Ca(2) Cl(1) Ca(3) -162(3) ? . . . .
O(3) Ca(2) Cl(1) Ca(3) -77.3(2) ? . . . 2_555
O(3) Ca(2) Cl(1) Ca(3) 9.8(2) ? . . . 3_555
O(3) Ca(2) Cl(1) Ca(3) -107.9(12) ? . . . 4_555
O(3) Ca(2) Cl(1) Ca(3) 112.30(19) ? . . . 5_555
O(3) Ca(2) Cl(1) Ca(3) -160.2(2) ? . . . 6_555
O(3) Ca(2) Cl(1) F(1) 62.5(2) ? . . . .
O(3) Ca(2) Cl(1) Ca(2) -78.1(2) ? . . . 2_555
O(3) Ca(2) Cl(1) Ca(2) 12.9(2) ? . . . 3_555
O(3) Ca(2) Cl(1) Ca(2) -117.5(12) ? . . . 4_555
O(3) Ca(2) Cl(1) Ca(2) 112.0(3) ? . . . 5_555
O(3) Ca(2) Cl(1) Ca(2) -157.0(2) ? . . . 6_555
O(3) Ca(2) Cl(1) Cl(1) -117.5(2) ? . . . 7_556
Cl(1) Ca(2) O(3) Ca(3) 30.7(2) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(2) 25.4(3) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) P(1) -109.7(4) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 165(2) ? . . 6_555 .
O(3) Ca(2) Cl(1) Ca(3) -23(2) ? 6_555 . . .
O(3) Ca(2) Cl(1) Ca(3) 61.73(16) ? 6_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(3) 148.88(16) ? 6_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) 31.1(13) ? 6_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(3) -108.67(15) ? 6_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(3) -21.15(17) ? 6_555 . . 6_555
O(3) Ca(2) Cl(1) F(1) -158.5(2) ? 6_555 . . .
O(3) Ca(2) Cl(1) Ca(2) 61.0(2) ? 6_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(2) 151.9(2) ? 6_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) 21.5(13) ? 6_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(2) -109.0(2) ? 6_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(2) -18.0(2) ? 6_555 . . 6_555
O(3) Ca(2) Cl(1) Cl(1) 21.5(2) ? 6_555 . . 7_556
Cl(1) Ca(2) O(3) Ca(3) -140(2) ? . . 9_555 .
O(3) Ca(2) Cl(1) Ca(3) 107(3) ? 9_555 . . .
O(3) Ca(2) Cl(1) Ca(3) -169.0(5) ? 9_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(3) -81.9(5) ? 9_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) 160.4(6) ? 9_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(3) 20.6(6) ? 9_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(3) 108.1(5) ? 9_555 . . 6_555
O(3) Ca(2) Cl(1) F(1) -29.3(4) ? 9_555 . . .
O(3) Ca(2) Cl(1) Ca(2) -169.8(6) ? 9_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(2) -78.8(6) ? 9_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) 150.7(9) ? 9_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(2) 20.3(6) ? 9_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(2) 111.2(5) ? 9_555 . . 6_555
O(3) Ca(2) Cl(1) Cl(1) 150.7(4) ? 9_555 . . 7_556
Cl(1) Ca(2) O(3) Ca(3) 140.2(14) ? . . 10_555 .
Cl(1) Ca(2) O(3) P(1) -117.90(13) ? . . 10_555 .
O(3) Ca(2) Cl(1) Ca(3) -108(3) ? 10_555 . . .
O(3) Ca(2) Cl(1) Ca(3) -23.35(17) ? 10_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(3) 63.80(18) ? 10_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) -53.9(13) ? 10_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(3) 166.25(14) ? 10_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(3) -106.23(18) ? 10_555 . . 6_555
O(3) Ca(2) Cl(1) F(1) 116.4(2) ? 10_555 . . .
O(3) Ca(2) Cl(1) Ca(2) -24.1(2) ? 10_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(2) 66.8(2) ? 10_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) -63.6(13) ? 10_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(2) 166.0(2) ? 10_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(2) -103.1(2) ? 10_555 . . 6_555
O(3) Ca(2) Cl(1) Cl(1) -63.6(2) ? 10_555 . . 7_556
Cl(1) Ca(2) Cl(1) Ca(3) 145(2) ? 2_554 . 7_556 .
Cl(1) Ca(2) Cl(1) Ca(3) -131.31(18) ? 2_554 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -43.48(16) ? 2_554 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -7.9(8) ? 2_554 . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 40.68(15) ? 2_554 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 128.06(17) ? 2_554 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -131.1(3) ? 2_554 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.4(2) ? 2_554 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 40.4(2) ? 2_554 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 131.1(2) ? 2_554 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -145(2) ? 7_556 . 2_554 .
Cl(1) Ca(2) Cl(1) Ca(3) 43.48(16) ? 7_556 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -40.68(15) ? 7_556 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 131.31(18) ? 7_556 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 131.1(3) ? 7_556 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 40.4(2) ? 7_556 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.4(2) ? 7_556 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 44(3) ? 2_554 . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) -127.40(14) ? 2_554 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 130.15(16) ? 2_554 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.4(2) ? 2_554 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.4(2) ? 2_554 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -145(2) ? 8_555 . 2_554 .
Cl(1) Ca(2) Cl(1) Ca(3) 43.48(16) ? 8_555 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -40.68(15) ? 8_555 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 131.31(18) ? 8_555 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 131.1(3) ? 8_555 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 40.4(2) ? 8_555 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.4(2) ? 8_555 . 2_554 5_555
Cl(1) Ca(2) P(1) Ca(1) -169.9(2) ? 2_554 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -104.60(18) ? 2_554 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) -137.3(2) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(1) 42.7(2) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(2) -137.3(2) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(3) -45.11(4) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(3) 130.6(4) ? 2_554 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) 125(2) ? . . 2_554 .
P(1) Ca(2) Cl(1) Ca(3) -46.37(19) ? . . 2_554 3_555
P(1) Ca(2) Cl(1) Ca(3) -130.5(2) ? . . 2_554 5_555
P(1) Ca(2) Cl(1) Ca(3) 41.5(2) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) Ca(2) 41.2(3) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) F(1) 90.1(3) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) Ca(2) -49.5(2) ? . . 2_554 3_555
P(1) Ca(2) Cl(1) Ca(2) -130.2(3) ? . . 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) -145(2) ? . . 2_554 .
F(1) Ca(2) Cl(1) Ca(3) 43.48(16) ? . . 2_554 3_555
F(1) Ca(2) Cl(1) Ca(3) -40.68(15) ? . . 2_554 5_555
F(1) Ca(2) Cl(1) Ca(3) 131.31(18) ? . . 2_554 2_554
F(1) Ca(2) Cl(1) Ca(2) 131.1(3) ? . . 2_554 2_554
F(1) Ca(2) Cl(1) Ca(2) 40.4(2) ? . . 2_554 3_555
F(1) Ca(2) Cl(1) Ca(2) -40.4(2) ? . . 2_554 5_555
Cl(1) Ca(2) O(2) Ca(1) 118.9(4) ? 2_554 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) 20.8(6) ? 2_554 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) -110.1(5) ? 2_554 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -110.1(5) ? 2_554 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) 63(2) ? 3_655 . 2_554 .
O(2) Ca(2) Cl(1) Ca(3) -108.6(6) ? 3_655 . 2_554 3_555
O(2) Ca(2) Cl(1) Ca(3) 167.3(6) ? 3_655 . 2_554 5_555
O(2) Ca(2) Cl(1) Ca(3) -20.7(5) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) Ca(2) -21.0(6) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) F(1) 27.9(7) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) Ca(2) -111.7(6) ? 3_655 . 2_554 3_555
O(2) Ca(2) Cl(1) Ca(2) 167.6(6) ? 3_655 . 2_554 5_555
Cl(1) Ca(2) O(3) Ca(1) -136.98(12) ? 2_554 . . 7_665
Cl(1) Ca(2) O(3) Ca(3) -127.5(13) ? 2_554 . . .
Cl(1) Ca(2) O(3) P(1) 130.62(10) ? 2_554 . . .
Cl(1) Ca(2) O(3) Ca(3) -26.3(3) ? 2_554 . . 2_554
Cl(1) Ca(2) O(3) Ca(2) -22.3(5) ? 2_554 . . 2_554
O(3) Ca(2) Cl(1) Ca(3) 103(2) ? . . 2_554 .
O(3) Ca(2) Cl(1) Ca(3) -68.9(2) ? . . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(3) -153.1(2) ? . . 2_554 5_555
O(3) Ca(2) Cl(1) Ca(3) 18.9(2) ? . . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) 18.7(3) ? . . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) 67.6(3) ? . . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) -72.0(2) ? . . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) -152.8(3) ? . . 2_554 5_555
Cl(1) Ca(2) O(3) Ca(3) -5.6(9) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(2) -10.9(9) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(3) P(1) -146.0(4) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 129(2) ? 2_554 . 6_555 .
O(3) Ca(2) Cl(1) Ca(3) -107(3) ? 6_555 . 2_554 .
O(3) Ca(2) Cl(1) Ca(3) 81.0(8) ? 6_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(3) -3.2(7) ? 6_555 . 2_554 5_555
O(3) Ca(2) Cl(1) Ca(3) 168.8(8) ? 6_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) 168.6(8) ? 6_555 . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) -142.5(6) ? 6_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) 77.9(8) ? 6_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) -2.9(8) ? 6_555 . 2_554 5_555
Cl(1) Ca(2) O(3) Ca(3) -170(2) ? 2_554 . 9_555 .
O(3) Ca(2) Cl(1) Ca(3) 12(2) ? 9_555 . 2_554 .
O(3) Ca(2) Cl(1) Ca(3) -159.60(18) ? 9_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(3) 116.24(17) ? 9_555 . 2_554 5_555
O(3) Ca(2) Cl(1) Ca(3) -71.77(15) ? 9_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) -72.0(3) ? 9_555 . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) -23.1(3) ? 9_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) -162.7(2) ? 9_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) 116.5(2) ? 9_555 . 2_554 5_555
Cl(1) Ca(2) O(3) Ca(3) -155.3(16) ? 2_554 . 10_555 .
Cl(1) Ca(2) O(3) P(1) -53.4(2) ? 2_554 . 10_555 .
O(3) Ca(2) Cl(1) Ca(3) 149(3) ? 10_555 . 2_554 .
O(3) Ca(2) Cl(1) Ca(3) -22.4(2) ? 10_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(3) -106.6(3) ? 10_555 . 2_554 5_555
O(3) Ca(2) Cl(1) Ca(3) 65.4(2) ? 10_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) 65.1(4) ? 10_555 . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) 114.1(3) ? 10_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) -25.5(3) ? 10_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) -106.3(3) ? 10_555 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -136(3) ? 7_556 . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 52.60(14) ? 7_556 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -49.85(16) ? 7_556 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 49.6(2) ? 7_556 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -49.6(2) ? 7_556 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 145(2) ? 8_555 . 7_556 .
Cl(1) Ca(2) Cl(1) Ca(3) -131.31(18) ? 8_555 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -43.48(16) ? 8_555 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -7.9(8) ? 8_555 . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 40.68(15) ? 8_555 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 128.06(17) ? 8_555 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -131.1(3) ? 8_555 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -40.4(2) ? 8_555 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 40.4(2) ? 8_555 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 131.1(2) ? 8_555 . 7_556 6_555
Cl(1) Ca(2) P(1) Ca(1) 104.60(18) ? 7_556 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) 169.9(2) ? 7_556 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) 137.3(2) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(1) -42.7(2) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(2) 137.3(2) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(3) -130.6(4) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(3) 45.11(4) ? 7_556 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) -125(2) ? . . 7_556 .
P(1) Ca(2) Cl(1) Ca(3) -41.5(2) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) Ca(3) 46.37(19) ? . . 7_556 3_555
P(1) Ca(2) Cl(1) Ca(3) 82.0(6) ? . . 7_556 4_555
P(1) Ca(2) Cl(1) Ca(3) 130.5(2) ? . . 7_556 5_555
P(1) Ca(2) Cl(1) Ca(3) -142.1(2) ? . . 7_556 6_555
P(1) Ca(2) Cl(1) Ca(2) -41.2(3) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) Ca(2) 49.5(2) ? . . 7_556 3_555
P(1) Ca(2) Cl(1) Ca(2) 89.9(12) ? . . 7_556 4_555
P(1) Ca(2) Cl(1) Ca(2) 130.2(3) ? . . 7_556 5_555
P(1) Ca(2) Cl(1) Ca(2) -139.1(2) ? . . 7_556 6_555
P(1) Ca(2) Cl(1) Cl(1) 89.9(3) ? . . 7_556 .
P(1) Ca(2) Cl(1) F(1) -90.1(3) ? . . 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) 145(2) ? . . 7_556 .
F(1) Ca(2) Cl(1) Ca(3) -131.31(18) ? . . 7_556 2_555
F(1) Ca(2) Cl(1) Ca(3) -43.48(16) ? . . 7_556 3_555
F(1) Ca(2) Cl(1) Ca(3) -7.9(8) ? . . 7_556 4_555
F(1) Ca(2) Cl(1) Ca(3) 40.68(15) ? . . 7_556 5_555
F(1) Ca(2) Cl(1) Ca(3) 128.06(17) ? . . 7_556 6_555
F(1) Ca(2) Cl(1) Ca(2) -131.1(3) ? . . 7_556 2_555
F(1) Ca(2) Cl(1) Ca(2) -40.4(2) ? . . 7_556 3_555
F(1) Ca(2) Cl(1) Ca(2) 40.4(2) ? . . 7_556 5_555
F(1) Ca(2) Cl(1) Ca(2) 131.1(2) ? . . 7_556 6_555
Cl(1) Ca(2) O(2) Ca(1) -20.8(6) ? 7_556 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -118.9(4) ? 7_556 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) 110.1(5) ? 7_556 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 110.1(5) ? 7_556 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) -63(2) ? 3_655 . 7_556 .
O(2) Ca(2) Cl(1) Ca(3) 20.7(5) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) Ca(3) 108.6(6) ? 3_655 . 7_556 3_555
O(2) Ca(2) Cl(1) Ca(3) 144.2(3) ? 3_655 . 7_556 4_555
O(2) Ca(2) Cl(1) Ca(3) -167.3(6) ? 3_655 . 7_556 5_555
O(2) Ca(2) Cl(1) Ca(3) -79.9(6) ? 3_655 . 7_556 6_555
O(2) Ca(2) Cl(1) Ca(2) 21.0(6) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) Ca(2) 111.7(6) ? 3_655 . 7_556 3_555
O(2) Ca(2) Cl(1) Ca(2) 152.1(10) ? 3_655 . 7_556 4_555
O(2) Ca(2) Cl(1) Ca(2) -167.6(6) ? 3_655 . 7_556 5_555
O(2) Ca(2) Cl(1) Ca(2) -76.9(6) ? 3_655 . 7_556 6_555
O(2) Ca(2) Cl(1) Cl(1) 152.1(7) ? 3_655 . 7_556 .
O(2) Ca(2) Cl(1) F(1) -27.9(7) ? 3_655 . 7_556 2_555
Cl(1) Ca(2) O(3) Ca(1) 145.8(2) ? 7_556 . . 7_665
Cl(1) Ca(2) O(3) Ca(3) 155.3(16) ? 7_556 . . .
Cl(1) Ca(2) O(3) P(1) 53.4(2) ? 7_556 . . .
Cl(1) Ca(2) O(3) Ca(3) -103.47(14) ? 7_556 . . 2_554
Cl(1) Ca(2) O(3) Ca(2) -99.5(4) ? 7_556 . . 2_554
O(3) Ca(2) Cl(1) Ca(3) -149(3) ? . . 7_556 .
O(3) Ca(2) Cl(1) Ca(3) -65.4(2) ? . . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) 22.4(2) ? . . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(3) 58.1(7) ? . . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) 106.6(3) ? . . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(3) -166.0(2) ? . . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(2) -65.1(4) ? . . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) 25.5(3) ? . . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) 65.9(12) ? . . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) 106.3(3) ? . . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) -163.0(3) ? . . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) 65.9(3) ? . . 7_556 .
O(3) Ca(2) Cl(1) F(1) -114.1(3) ? . . 7_556 2_555
Cl(1) Ca(2) O(3) Ca(3) 35.94(19) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(2) 30.6(3) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(3) P(1) -104.5(4) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 170(2) ? 7_556 . 6_555 .
O(3) Ca(2) Cl(1) Ca(3) -12(2) ? 6_555 . 7_556 .
O(3) Ca(2) Cl(1) Ca(3) 71.77(15) ? 6_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) 159.60(18) ? 6_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(3) -164.8(4) ? 6_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) -116.24(17) ? 6_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(3) -28.86(15) ? 6_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(2) 72.0(3) ? 6_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) 162.7(2) ? 6_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) -156.9(11) ? 6_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) -116.5(2) ? 6_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) -25.9(2) ? 6_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) -156.9(3) ? 6_555 . 7_556 .
O(3) Ca(2) Cl(1) F(1) 23.1(3) ? 6_555 . 7_556 2_555
Cl(1) Ca(2) O(3) Ca(3) -129(2) ? 7_556 . 9_555 .
O(3) Ca(2) Cl(1) Ca(3) 107(3) ? 9_555 . 7_556 .
O(3) Ca(2) Cl(1) Ca(3) -168.8(8) ? 9_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) -81.0(8) ? 9_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(3) -45.4(13) ? 9_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) 3.2(7) ? 9_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(3) 90.6(8) ? 9_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(2) -168.6(8) ? 9_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) -77.9(8) ? 9_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) -37.5(18) ? 9_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) 2.9(8) ? 9_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) 93.6(8) ? 9_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) -37.5(6) ? 9_555 . 7_556 .
O(3) Ca(2) Cl(1) F(1) 142.5(6) ? 9_555 . 7_556 2_555
Cl(1) Ca(2) O(3) Ca(3) 127.5(13) ? 7_556 . 10_555 .
Cl(1) Ca(2) O(3) P(1) -130.62(10) ? 7_556 . 10_555 .
O(3) Ca(2) Cl(1) Ca(3) -103(2) ? 10_555 . 7_556 .
O(3) Ca(2) Cl(1) Ca(3) -18.9(2) ? 10_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) 68.9(2) ? 10_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(3) 104.5(5) ? 10_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) 153.1(2) ? 10_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(3) -119.5(2) ? 10_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(2) -18.7(3) ? 10_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) 72.0(2) ? 10_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) 112.4(11) ? 10_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) 152.8(3) ? 10_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) -116.5(2) ? 10_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) 112.4(3) ? 10_555 . 7_556 .
O(3) Ca(2) Cl(1) F(1) -67.6(3) ? 10_555 . 7_556 2_555
Cl(1) Ca(2) P(1) Ca(1) 176.8(2) ? 8_555 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -117.87(15) ? 8_555 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) -150.52(17) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(1) 29.48(17) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(2) -150.52(17) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(3) -58.37(6) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(3) 117.3(4) ? 8_555 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) 134(3) ? . . 8_555 .
P(1) Ca(2) Cl(1) Ca(3) -37.29(16) ? . . 8_555 3_555
P(1) Ca(2) Cl(1) Ca(3) -139.74(12) ? . . 8_555 5_555
P(1) Ca(2) Cl(1) Ca(2) -40.3(2) ? . . 8_555 3_555
P(1) Ca(2) Cl(1) Ca(2) -139.4(2) ? . . 8_555 5_555
P(1) Ca(2) Cl(1) F(1) -89.9(2) ? . . 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) -136(3) ? . . 8_555 .
F(1) Ca(2) Cl(1) Ca(3) 52.60(14) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(3) -49.85(16) ? . . 8_555 5_555
F(1) Ca(2) Cl(1) Ca(2) 49.6(2) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(2) -49.6(2) ? . . 8_555 5_555
Cl(1) Ca(2) O(2) Ca(1) 108.1(7) ? 8_555 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) 10.0(8) ? 8_555 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) -120.9(7) ? 8_555 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -120.9(7) ? 8_555 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) 80(2) ? 3_655 . 8_555 .
O(2) Ca(2) Cl(1) Ca(3) -91.2(7) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(3) 166.3(7) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) Ca(2) -94.3(8) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(2) 166.6(8) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) F(1) -143.8(9) ? 3_655 . 8_555 .
Cl(1) Ca(2) O(3) Ca(1) -149.70(15) ? 8_555 . . 7_665
Cl(1) Ca(2) O(3) Ca(3) -140.2(14) ? 8_555 . . .
Cl(1) Ca(2) O(3) P(1) 117.90(13) ? 8_555 . . .
Cl(1) Ca(2) O(3) Ca(3) -39.0(3) ? 8_555 . . 2_554
Cl(1) Ca(2) O(3) Ca(2) -35.0(5) ? 8_555 . . 2_554
O(3) Ca(2) Cl(1) Ca(3) 108(3) ? . . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -63.80(18) ? . . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -166.25(14) ? . . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(2) -66.8(2) ? . . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -166.0(2) ? . . 8_555 5_555
O(3) Ca(2) Cl(1) F(1) -116.4(2) ? . . 8_555 .
Cl(1) Ca(2) O(3) Ca(3) 5.4(7) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(2) 0.1(5) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) P(1) -135.0(3) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 140(2) ? 8_555 . 6_555 .
O(3) Ca(2) Cl(1) Ca(3) -107(3) ? 6_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) 81.9(5) ? 6_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -20.6(6) ? 6_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(2) 78.8(6) ? 6_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -20.3(6) ? 6_555 . 8_555 5_555
O(3) Ca(2) Cl(1) F(1) 29.3(4) ? 6_555 . 8_555 .
Cl(1) Ca(2) O(3) Ca(3) -165(2) ? 8_555 . 9_555 .
O(3) Ca(2) Cl(1) Ca(3) 23(2) ? 9_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -148.88(16) ? 9_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) 108.67(15) ? 9_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(2) -151.9(2) ? 9_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) 109.0(2) ? 9_555 . 8_555 5_555
O(3) Ca(2) Cl(1) F(1) 158.5(2) ? 9_555 . 8_555 .
Cl(1) Ca(2) O(3) Ca(3) -167.8(15) ? 8_555 . 10_555 .
Cl(1) Ca(2) O(3) P(1) -65.9(2) ? 8_555 . 10_555 .
O(3) Ca(2) Cl(1) Ca(3) 162(3) ? 10_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -9.8(2) ? 10_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -112.30(19) ? 10_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(2) -12.9(2) ? 10_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -112.0(3) ? 10_555 . 8_555 5_555
O(3) Ca(2) Cl(1) F(1) -62.5(2) ? 10_555 . 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) 147.35(2) ? . . . 2_655
F(1) Ca(2) P(1) Ca(1) -147.35(2) ? . . . 7_665
F(1) Ca(2) P(1) O(3) -87.9(2) ? . . . .
F(1) Ca(2) P(1) O(3) 87.9(2) ? . . . 10_555
P(1) Ca(2) O(2) Ca(1) 49.07(9) ? . . 3_655 2_655
P(1) Ca(2) O(2) Ca(1) -49.07(9) ? . . 3_655 7_665
O(2) Ca(2) P(1) Ca(1) -32.65(2) ? 3_655 . . 2_655
O(2) Ca(2) P(1) Ca(1) 32.65(2) ? 3_655 . . 7_665
O(2) Ca(2) P(1) O(3) 92.1(2) ? 3_655 . . .
O(2) Ca(2) P(1) O(3) -92.1(2) ? 3_655 . . 10_555
P(1) Ca(2) O(3) Ca(1) 92.40(5) ? . . . 7_665
P(1) Ca(2) O(3) Ca(3) 101.9(13) ? . . . .
P(1) Ca(2) O(3) Ca(3) -156.9(2) ? . . . 2_554
P(1) Ca(2) O(3) Ca(2) -152.9(4) ? . . . 2_554
O(3) Ca(2) P(1) Ca(1) -124.8(2) ? . . . 2_655
O(3) Ca(2) P(1) Ca(1) -59.5(2) ? . . . 7_665
O(3) Ca(2) P(1) Ca(3) -92.1(2) ? . . . .
O(3) Ca(2) P(1) O(1) 87.9(2) ? . . . .
O(3) Ca(2) P(1) O(2) -92.1(2) ? . . . .
O(3) Ca(2) P(1) O(3) 175.7(4) ? . . . 10_555
P(1) Ca(2) O(3) Ca(3) 116.0(3) ? . . 6_555 6_555
P(1) Ca(2) O(3) Ca(2) 110.7(4) ? . . 6_555 6_555
P(1) Ca(2) O(3) P(1) -24.4(9) ? . . 6_555 6_555
P(1) Ca(2) O(3) Ca(3) -110(2) ? . . 6_555 .
O(3) Ca(2) P(1) Ca(1) 40.2(4) ? 6_555 . . 2_655
O(3) Ca(2) P(1) Ca(1) 105.5(5) ? 6_555 . . 7_665
O(3) Ca(2) P(1) Ca(3) 72.9(5) ? 6_555 . . .
O(3) Ca(2) P(1) O(1) -107.1(5) ? 6_555 . . .
O(3) Ca(2) P(1) O(2) 72.9(5) ? 6_555 . . .
O(3) Ca(2) P(1) O(3) 165.0(7) ? 6_555 . . .
O(3) Ca(2) P(1) O(3) -19.3(2) ? 6_555 . . 10_555
P(1) Ca(2) O(3) Ca(3) 110(2) ? . . 9_555 .
O(3) Ca(2) P(1) Ca(1) -105.5(5) ? 9_555 . . 2_655
O(3) Ca(2) P(1) Ca(1) -40.2(4) ? 9_555 . . 7_665
O(3) Ca(2) P(1) Ca(3) -72.9(5) ? 9_555 . . .
O(3) Ca(2) P(1) O(1) 107.1(5) ? 9_555 . . .
O(3) Ca(2) P(1) O(2) -72.9(5) ? 9_555 . . .
O(3) Ca(2) P(1) O(3) 19.3(2) ? 9_555 . . .
O(3) Ca(2) P(1) O(3) -165.0(7) ? 9_555 . . 10_555
P(1) Ca(2) O(3) Ca(3) -101.9(13) ? . . 10_555 .
O(3) Ca(2) P(1) Ca(1) 59.5(2) ? 10_555 . . 2_655
O(3) Ca(2) P(1) Ca(1) 124.8(2) ? 10_555 . . 7_665
O(3) Ca(2) P(1) Ca(3) 92.1(2) ? 10_555 . . .
O(3) Ca(2) P(1) O(1) -87.9(2) ? 10_555 . . .
O(3) Ca(2) P(1) O(2) 92.1(2) ? 10_555 . . .
O(3) Ca(2) P(1) O(3) -175.7(4) ? 10_555 . . .
F(1) Ca(2) O(2) Ca(1) 49.07(9) ? . . 3_655 2_655
F(1) Ca(2) O(2) Ca(1) -49.07(9) ? . . 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
F(1) Ca(2) O(3) Ca(1) -175.86(10) ? . . . 7_665
F(1) Ca(2) O(3) Ca(3) -166.3(14) ? . . . .
F(1) Ca(2) O(3) P(1) 91.74(12) ? . . . .
F(1) Ca(2) O(3) Ca(3) -65.2(2) ? . . . 2_554
F(1) Ca(2) O(3) Ca(2) -61.2(4) ? . . . 2_554
O(3) Ca(2) F(1) Ca(3) 149.68(11) ? . . . .
O(3) Ca(2) F(1) Ca(3) -30.32(11) ? . . . 3_555
O(3) Ca(2) F(1) Ca(3) 149.68(11) ? . . . 5_555
O(3) Ca(2) F(1) Cl(1) -120.32(11) ? . . . .
O(3) Ca(2) F(1) Ca(2) -30.32(11) ? . . . 3_555
O(3) Ca(2) F(1) Ca(2) 149.68(11) ? . . . 5_555
O(3) Ca(2) F(1) Cl(1) 59.68(11) ? . . . 8_555
F(1) Ca(2) O(3) Ca(3) 19.9(4) ? . . 6_555 6_555
F(1) Ca(2) O(3) Ca(2) 14.6(5) ? . . 6_555 6_555
F(1) Ca(2) O(3) P(1) -120.5(3) ? . . 6_555 6_555
F(1) Ca(2) O(3) Ca(3) 154(2) ? . . 6_555 .
O(3) Ca(2) F(1) Ca(3) -68.1(3) ? 6_555 . . .
O(3) Ca(2) F(1) Ca(3) 111.9(3) ? 6_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) -68.1(3) ? 6_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) 21.9(3) ? 6_555 . . .
O(3) Ca(2) F(1) Ca(2) 111.9(3) ? 6_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) -68.1(3) ? 6_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) -158.1(3) ? 6_555 . . 8_555
F(1) Ca(2) O(3) Ca(3) -154(2) ? . . 9_555 .
O(3) Ca(2) F(1) Ca(3) 68.1(3) ? 9_555 . . .
O(3) Ca(2) F(1) Ca(3) -111.9(3) ? 9_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) 68.1(3) ? 9_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) 158.1(3) ? 9_555 . . .
O(3) Ca(2) F(1) Ca(2) -111.9(3) ? 9_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) 68.1(3) ? 9_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) -21.9(3) ? 9_555 . . 8_555
F(1) Ca(2) O(3) Ca(3) 166.3(14) ? . . 10_555 .
F(1) Ca(2) O(3) P(1) -91.74(12) ? . . 10_555 .
O(3) Ca(2) F(1) Ca(3) -149.68(11) ? 10_555 . . .
O(3) Ca(2) F(1) Ca(3) 30.32(11) ? 10_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) -149.68(11) ? 10_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) -59.68(11) ? 10_555 . . .
O(3) Ca(2) F(1) Ca(2) 30.32(11) ? 10_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) -149.68(11) ? 10_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) 120.32(11) ? 10_555 . . 8_555
O(2) Ca(2) O(3) Ca(1) 14.38(13) ? 3_655 . . 7_665
O(2) Ca(2) O(3) Ca(3) 23.9(13) ? 3_655 . . .
O(2) Ca(2) O(3) P(1) -78.02(15) ? 3_655 . . .
O(2) Ca(2) O(3) Ca(3) 125.07(13) ? 3_655 . . 2_554
O(2) Ca(2) O(3) Ca(2) 129.0(4) ? 3_655 . . 2_554
O(3) Ca(2) O(2) Ca(1) 80.70(4) ? . . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -17.4(2) ? . . 3_655 7_665
O(3) Ca(2) O(2) P(1) -148.37(12) ? . . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) -148.37(12) ? . . 3_655 .
O(2) Ca(2) O(3) Ca(3) -178.64(11) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) Ca(2) 176.1(3) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) P(1) 41.0(6) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) Ca(3) -44(2) ? 3_655 . 6_555 .
O(3) Ca(2) O(2) Ca(1) -66.7(3) ? 6_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -164.87(15) ? 6_555 . 3_655 7_665
O(3) Ca(2) O(2) P(1) 64.2(2) ? 6_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) 64.2(2) ? 6_555 . 3_655 .
O(2) Ca(2) O(3) Ca(3) 44(2) ? 3_655 . 9_555 .
O(3) Ca(2) O(2) Ca(1) 164.87(15) ? 9_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) 66.7(3) ? 9_555 . 3_655 7_665
O(3) Ca(2) O(2) P(1) -64.2(2) ? 9_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) -64.2(2) ? 9_555 . 3_655 .
O(2) Ca(2) O(3) Ca(3) -23.9(13) ? 3_655 . 10_555 .
O(2) Ca(2) O(3) P(1) 78.02(15) ? 3_655 . 10_555 .
O(3) Ca(2) O(2) Ca(1) 17.4(2) ? 10_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -80.70(4) ? 10_555 . 3_655 7_665
O(3) Ca(2) O(2) P(1) 148.37(12) ? 10_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) 148.37(12) ? 10_555 . 3_655 .
O(3) Ca(2) O(3) Ca(3) 127.7(9) ? . . 6_555 6_555
O(3) Ca(2) O(3) Ca(2) 122.4(9) ? . . 6_555 6_555
O(3) Ca(2) O(3) P(1) -12.7(14) ? . . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) -98(2) ? . . 6_555 .
O(3) Ca(2) O(3) Ca(1) 70.4(10) ? 6_555 . . 7_665
O(3) Ca(2) O(3) Ca(3) 79.9(19) ? 6_555 . . .
O(3) Ca(2) O(3) P(1) -22.0(10) ? 6_555 . . .
O(3) Ca(2) O(3) Ca(3) -178.9(8) ? 6_555 . . 2_554
O(3) Ca(2) O(3) Ca(2) -174.9(9) ? 6_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) 119(2) ? . . 9_555 .
O(3) Ca(2) O(3) Ca(1) -69.5(3) ? 9_555 . . 7_665
O(3) Ca(2) O(3) Ca(3) -60.0(12) ? 9_555 . . .
O(3) Ca(2) O(3) P(1) -161.9(2) ? 9_555 . . .
O(3) Ca(2) O(3) Ca(3) 41.2(5) ? 9_555 . . 2_554
O(3) Ca(2) O(3) Ca(2) 45.1(6) ? 9_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) -104.4(15) ? . . 10_555 .
O(3) Ca(2) O(3) P(1) -2.5(2) ? . . 10_555 .
O(3) Ca(2) O(3) Ca(1) 94.9(2) ? 10_555 . . 7_665
O(3) Ca(2) O(3) Ca(3) 104.4(15) ? 10_555 . . .
O(3) Ca(2) O(3) P(1) 2.5(2) ? 10_555 . . .
O(3) Ca(2) O(3) Ca(3) -154.43(7) ? 10_555 . . 2_554
O(3) Ca(2) O(3) Ca(2) -150.5(4) ? 10_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) -29.7(18) ? 6_555 . 9_555 .
O(3) Ca(2) O(3) Ca(3) -104.6(6) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(2) -109.8(6) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) P(1) 115.1(3) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) 29.7(18) ? 9_555 . 6_555 .
O(3) Ca(2) O(3) Ca(3) 60.0(12) ? 6_555 . 10_555 .
O(3) Ca(2) O(3) P(1) 161.9(2) ? 6_555 . 10_555 .
O(3) Ca(2) O(3) Ca(3) 106.3(2) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(2) 101.0(3) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) P(1) -34.1(7) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) -119(2) ? 10_555 . 6_555 .
O(3) Ca(2) O(3) Ca(3) -79.9(19) ? 9_555 . 10_555 .
O(3) Ca(2) O(3) P(1) 22.0(10) ? 9_555 . 10_555 .
O(3) Ca(2) O(3) Ca(3) 98(2) ? 10_555 . 9_555 .
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(4) ? . . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(3) ? . . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(4) ? . . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(3) ? . . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.4(2) ? . . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 62.4(4) ? . . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.4(3) ? . . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.6(2) ? . . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.6(4) ? . . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.6(3) ? . . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(3) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(4) ? . . . 5_555
Ca(3) Cl(1) F(1) Ca(2) -2.4(2) ? . . . .
Ca(3) Cl(1) F(1) Ca(2) -122.4(3) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 117.6(4) ? . . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(4) ? 2_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(5) ? 2_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(4) ? 2_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(5) ? 2_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.6(2) ? 2_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 2.4(4) ? 2_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.4(3) ? 2_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.4(2) ? 2_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.6(4) ? 2_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.6(3) ? 2_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) 60.00(4) ? 2_555 . . .
Ca(3) Cl(1) F(1) Ca(3) -60.00(5) ? 2_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 57.6(2) ? 2_555 . . .
Ca(3) Cl(1) F(1) Ca(2) -62.4(3) ? 2_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 177.6(4) ? 2_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(3) ? 3_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(5) ? 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(5) ? 3_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.6(2) ? 3_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) -57.6(4) ? 3_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.4(3) ? 3_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.4(2) ? 3_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.4(4) ? 3_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.6(3) ? 3_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(3) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(3) -120.00(5) ? 3_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(2) 117.6(2) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(2) -2.4(3) ? 3_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -122.4(4) ? 3_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(4) ? 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(4) ? 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) -177.6(2) ? 4_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) -117.6(4) ? 4_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.6(3) ? 4_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.4(2) ? 4_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.4(4) ? 4_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.4(3) ? 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(4) ? 4_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(2) 177.6(2) ? 4_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 57.6(3) ? 4_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -62.4(4) ? 4_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(4) ? 5_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(5) ? 5_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(4) ? 5_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(5) ? 5_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) 122.4(2) ? 5_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) -177.6(4) ? 5_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.6(3) ? 5_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.6(2) ? 5_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.4(4) ? 5_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.4(3) ? 5_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(4) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(3) 120.00(5) ? 5_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -122.4(2) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 117.6(3) ? 5_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -2.4(4) ? 5_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(3) ? 6_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(5) ? 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(5) ? 6_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 62.4(2) ? 6_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 122.4(4) ? 6_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -177.6(3) ? 6_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -117.6(2) ? 6_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -57.6(4) ? 6_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 2.4(3) ? 6_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) -60.00(3) ? 6_555 . . .
Ca(3) Cl(1) F(1) Ca(3) 60.00(5) ? 6_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(2) -62.4(2) ? 6_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 177.6(3) ? 6_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 57.6(4) ? 6_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.4(2) ? . . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) 57.6(2) ? . . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.6(2) ? . . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.6(2) ? . . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.4(2) ? . . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.4(2) ? . . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(4) ? . . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(4) ? . . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(4) ? . . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(4) ? . . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) 2.4(2) ? . . . .
Ca(2) Cl(1) F(1) Ca(3) -117.6(2) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 122.4(2) ? . . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.0(4) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(2) 120.0(4) ? . . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.4(4) ? 2_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) -2.4(4) ? 2_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.6(4) ? 2_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.6(4) ? 2_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.6(4) ? 2_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.4(4) ? 2_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(4) ? 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(4) ? 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) 62.4(4) ? 2_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -57.6(4) ? 2_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -177.6(4) ? 2_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 60.0(4) ? 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) -122.4(3) ? 3_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) -62.4(3) ? 3_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.4(3) ? 3_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.6(3) ? 3_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.6(3) ? 3_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.6(3) ? 3_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(4) ? 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(4) ? 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) 122.4(3) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 2.4(3) ? 3_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -117.6(3) ? 3_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 120.0(4) ? 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) 177.6(2) ? 4_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) -122.4(2) ? 4_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.4(2) ? 4_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.4(2) ? 4_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.6(2) ? 4_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.6(2) ? 4_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(4) ? 4_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(4) ? 4_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(4) ? 4_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(4) ? 4_555 . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) -177.6(2) ? 4_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 62.4(2) ? 4_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -57.6(2) ? 4_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 60.0(4) ? 4_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(2) -60.0(4) ? 4_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 117.6(4) ? 5_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) 177.6(4) ? 5_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.4(4) ? 5_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.4(4) ? 5_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.4(4) ? 5_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 57.6(4) ? 5_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(4) ? 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(4) ? 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) -117.6(4) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 122.4(4) ? 5_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 2.4(4) ? 5_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.0(4) ? 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) 57.6(3) ? 6_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(3) 117.6(3) ? 6_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 177.6(3) ? 6_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -122.4(3) ? 6_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -62.4(3) ? 6_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -2.4(3) ? 6_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(4) ? 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(4) ? 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) -57.6(3) ? 6_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -177.6(3) ? 6_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 62.4(3) ? 6_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -60.0(4) ? 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) 122.03(2) ? 2_655 . . .
Ca(1) P(1) O(1) Ca(1) -22.45(6) ? 2_655 . . 8_565
Ca(1) P(1) O(1) Ca(3) -130.21(2) ? 2_655 . . 3_555
Ca(1) P(1) O(2) Ca(1) 92.98(5) ? 2_655 . . 7_665
Ca(1) P(1) O(2) Ca(3) -133.51(2) ? 2_655 . . 5_665
Ca(1) P(1) O(2) Ca(2) -133.51(2) ? 2_655 . . 5_665
Ca(1) P(1) O(3) Ca(1) -40.79(2) ? 2_655 . . 7_665
Ca(1) P(1) O(3) Ca(3) 55.89(4) ? 2_655 . . .
Ca(1) P(1) O(3) Ca(2) 60.8(3) ? 2_655 . . .
Ca(1) P(1) O(3) Ca(3) -151.30(7) ? 2_655 . . 2_554
Ca(1) P(1) O(3) Ca(2) -159.6(4) ? 2_655 . . 2_554
Ca(1) P(1) O(3) Ca(3) -96.68(4) ? 2_655 . 10_555 .
Ca(1) P(1) O(3) Ca(2) -101.6(3) ? 2_655 . 10_555 .
Ca(1) P(1) O(1) Ca(1) 22.46(6) ? 7_665 . . .
Ca(1) P(1) O(1) Ca(1) -122.02(2) ? 7_665 . . 8_565
Ca(1) P(1) O(1) Ca(3) 130.22(2) ? 7_665 . . 3_555
Ca(1) P(1) O(2) Ca(1) -92.98(5) ? 7_665 . . 2_655
Ca(1) P(1) O(2) Ca(3) 133.51(2) ? 7_665 . . 5_665
Ca(1) P(1) O(2) Ca(2) 133.51(2) ? 7_665 . . 5_665
Ca(1) P(1) O(3) Ca(3) 96.68(4) ? 7_665 . . .
Ca(1) P(1) O(3) Ca(2) 101.6(3) ? 7_665 . . .
Ca(1) P(1) O(3) Ca(3) -110.51(7) ? 7_665 . . 2_554
Ca(1) P(1) O(3) Ca(2) -118.8(4) ? 7_665 . . 2_554
Ca(1) P(1) O(3) Ca(3) -55.89(4) ? 7_665 . 10_555 .
Ca(1) P(1) O(3) Ca(2) -60.8(3) ? 7_665 . 10_555 .
Ca(3) P(1) O(1) Ca(1) -107.76(4) ? . . . .
Ca(3) P(1) O(1) Ca(1) 107.76(4) ? . . . 8_565
Ca(3) P(1) O(2) Ca(1) -46.49(2) ? . . . 2_655
Ca(3) P(1) O(2) Ca(1) 46.49(2) ? . . . 7_665
Ca(3) P(1) O(3) Ca(1) -96.68(4) ? . . . 7_665
Ca(3) P(1) O(3) Ca(2) 4.9(3) ? . . . .
Ca(3) P(1) O(3) Ca(3) 152.81(9) ? . . . 2_554
Ca(3) P(1) O(3) Ca(2) 144.5(4) ? . . . 2_554
Ca(3) P(1) O(3) Ca(2) -4.9(3) ? . . 10_555 .
Ca(2) P(1) O(1) Ca(1) -107.76(4) ? . . . .
Ca(2) P(1) O(1) Ca(1) 107.76(4) ? . . . 8_565
Ca(2) P(1) O(2) Ca(1) -46.49(2) ? . . . 2_655
Ca(2) P(1) O(2) Ca(1) 46.49(2) ? . . . 7_665
Ca(2) P(1) O(3) Ca(1) -101.6(3) ? . . . 7_665
Ca(2) P(1) O(3) Ca(3) -4.9(3) ? . . . .
Ca(2) P(1) O(3) Ca(3) 147.9(3) ? . . . 2_554
Ca(2) P(1) O(3) Ca(2) 139.6(5) ? . . . 2_554
Ca(2) P(1) O(3) Ca(3) 4.9(3) ? . . 10_555 .
O(1) P(1) O(2) Ca(1) 133.51(2) ? . . . 2_655
O(1) P(1) O(2) Ca(1) -133.51(2) ? . . . 7_665
O(2) P(1) O(1) Ca(1) 72.24(4) ? . . . .
O(2) P(1) O(1) Ca(1) -72.24(4) ? . . . 8_565
O(1) P(1) O(3) Ca(1) 131.13(3) ? . . . 7_665
O(1) P(1) O(3) Ca(3) -132.19(5) ? . . . .
O(1) P(1) O(3) Ca(2) -127.3(3) ? . . . .
O(1) P(1) O(3) Ca(3) 20.62(8) ? . . . 2_554
O(1) P(1) O(3) Ca(2) 12.3(4) ? . . . 2_554
O(3) P(1) O(1) Ca(1) -47.18(6) ? . . . .
O(3) P(1) O(1) Ca(1) 168.34(4) ? . . . 8_565
O(3) P(1) O(1) Ca(3) 60.58(2) ? . . . 3_555
O(1) P(1) O(3) Ca(3) 132.19(5) ? . . 10_555 .
O(1) P(1) O(3) Ca(2) 127.3(3) ? . . 10_555 .
O(3) P(1) O(1) Ca(1) -168.34(4) ? 10_555 . . .
O(3) P(1) O(1) Ca(1) 47.19(6) ? 10_555 . . 8_565
O(3) P(1) O(1) Ca(3) -60.58(2) ? 10_555 . . 3_555
O(2) P(1) O(3) Ca(1) 9.30(4) ? . . . 7_665
O(2) P(1) O(3) Ca(3) 105.98(5) ? . . . .
O(2) P(1) O(3) Ca(2) 110.9(3) ? . . . .
O(2) P(1) O(3) Ca(3) -101.21(8) ? . . . 2_554
O(2) P(1) O(3) Ca(2) -109.5(4) ? . . . 2_554
O(3) P(1) O(2) Ca(1) -104.00(3) ? . . . 2_655
O(3) P(1) O(2) Ca(1) -11.02(5) ? . . . 7_665
O(3) P(1) O(2) Ca(3) 122.49(3) ? . . . 5_665
O(3) P(1) O(2) Ca(2) 122.49(3) ? . . . 5_665
O(2) P(1) O(3) Ca(3) -105.98(5) ? . . 10_555 .
O(2) P(1) O(3) Ca(2) -110.9(3) ? . . 10_555 .
O(3) P(1) O(2) Ca(1) 11.02(5) ? 10_555 . . 2_655
O(3) P(1) O(2) Ca(1) 104.00(3) ? 10_555 . . 7_665
O(3) P(1) O(2) Ca(3) -122.49(3) ? 10_555 . . 5_665
O(3) P(1) O(2) Ca(2) -122.49(3) ? 10_555 . . 5_665
O(3) P(1) O(3) Ca(3) 8.51(6) ? . . 10_555 .
O(3) P(1) O(3) Ca(2) 3.6(3) ? . . 10_555 .
O(3) P(1) O(3) Ca(1) -105.19(4) ? 10_555 . . 7_665
O(3) P(1) O(3) Ca(3) -8.51(6) ? 10_555 . . .
O(3) P(1) O(3) Ca(2) -3.6(3) ? 10_555 . . .
O(3) P(1) O(3) Ca(3) 144.29(7) ? 10_555 . . 2_554
O(3) P(1) O(3) Ca(2) 136.0(4) ? 10_555 . . 2_554

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(3) 3.0666(8) ? . 12_555
F(1) O(3) 3.3060(8) ? . 12_555
O(1) O(2) 3.43452(17) ? . 4_665
O(1) O(3) 3.4419(7) ? . 4_665
O(2) O(1) 3.43452(17) ? . 4_665
O(2) O(3) 3.1956(9) ? . 4_665
O(2) O(3) 2.9584(9) ? . 8_665
O(3) O(1) 3.0332(11) ? . 6_554


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

# 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

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

