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 Cl0.75 F0.25 O12 P3 '
_chemical_formula_moiety               'Ca5 Cl0.75 F0.25 O12 P3 '
_chemical_formula_weight               516.65
_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                         9.5741(2)
_cell_length_b                         9.5741(2)
_cell_length_c                         6.80980(10)
_cell_angle_alpha                      90.0000
_cell_angle_beta                       90.0000
_cell_angle_gamma                      120.0000
_cell_volume                           540.581(18)
_cell_formula_units_Z                  2
_cell_measurement_reflns_used          3563
_cell_measurement_theta_min            8.4
_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          3.174
_exptl_crystal_density_meas            ?
_exptl_crystal_density_method         'not measured'
_exptl_crystal_F_000                   512.00
_exptl_absorpt_coefficient_mu          28.372
_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                  12441
_diffrn_reflns_av_R_equivalents        0.132
_diffrn_reflns_theta_max               71.53
_diffrn_measured_fraction_theta_max    0.997
_diffrn_reflns_theta_full              71.53
_diffrn_measured_fraction_theta_full   0.997
_diffrn_reflns_limit_h_min             -10
_diffrn_reflns_limit_h_max             8
_diffrn_reflns_limit_k_min             -11
_diffrn_reflns_limit_k_max             11
_diffrn_reflns_limit_l_min             -8
_diffrn_reflns_limit_l_max             8

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

# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using reflections with F^2^ > 2.0 sigma(F^2^).
    The weighted R-factor(wR), goodness of fit (S) and R-factor (gt) are 
    based on F, with F set to zero for negative F. The threshold expression of
    F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt).
;
_reflns_number_total                   387
_reflns_number_gt                      11440
_reflns_threshold_expression           F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef       F
_refine_ls_R_factor_gt                 0.0964
_refine_ls_wR_factor_ref               0.1189
_refine_ls_hydrogen_treatment          ?
_refine_ls_number_reflns               11466
_refine_ls_number_parameters           42
_refine_ls_goodness_of_fit_ref         1.050
_refine_ls_weighting_scheme            calc
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    14.2074    6.4708    9.7702
;
_refine_ls_shift/su_max                0.0000
_refine_diff_density_max               50.20
_refine_diff_density_min               -103.00
_refine_ls_extinction_method           
   'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_extinction_coef             20.0(7)

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

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

# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
 Ca(1) Ca 0.3333 0.6667 0.00245(6) 0.00770(18) Uiso 1.00 3 d S . .
 Ca(3) Ca 0.2613(4) -0.00134(13) 0.2500 0.00746(18) Uiso 0.75 2 d SP . .
 Ca(2) Ca 0.2363(11) 0.0011(3) 0.2500 0.00746(18) Uiso 0.25 2 d SP . .
 Cl(1) Cl 0.0000 0.0000 0.4268(3) 0.0355(5) Uani 0.38 3 d SP . .
 P(1) P 0.40454(6) 0.37278(6) 0.2500 0.00457(14) Uani 1.00 2 d S . .
 F(1) F 0.0000 0.0000 0.2500 0.55(3) Uani 0.25 6 d SP . .
 O(1) O 0.35158(15) 0.26522(12) 0.06989(14) 0.0195(3) Uani 1.00 1 d . . .
 O(2) O 0.58954(18) 0.46478(18) 0.2500 0.0158(4) Uani 1.00 2 d S . .
 O(3) O 0.33714(19) 0.48914(17) 0.2500 0.0119(4) Uani 1.00 2 d S . .


loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
 Cl(1) 0.0065(5) 0.0065(5) 0.094(2) 0.0032(2) 0.0000 0.0000
 P(1) 0.0073(3) 0.0074(3) -0.0001(2) 0.0044(2) 0.0000 0.0000
 F(1) 3.14(10) 3.14(10) -0.1516(13) 1.57(5) 0.0000 0.0000
 O(1) 0.0364(7) 0.0197(7) 0.0107(5) 0.0202(6) -0.0164(5) -0.0093(4)
 O(2) 0.0107(8) 0.0201(8) 0.0192(7) 0.0096(7) 0.0000 0.0000
 O(3) 0.0189(9) 0.0111(8) 0.0095(7) 0.0102(7) 0.0000 0.0000

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

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

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

# MOLECULAR GEOMETRY

_geom_special_details
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ca(1) Ca(1) 3.4383(5) yes . 8_564
Ca(1) Ca(1) 3.3715(5) yes . 8_565
Ca(1) P(1) 3.2162(4) yes . 2_554
Ca(1) P(1) 3.2163(6) yes . 4_664
Ca(1) P(1) 3.2162(5) yes . 6_564
Ca(1) O(1) 2.7931(14) yes . 7_665
Ca(1) O(1) 2.7930(14) yes . 9_565
Ca(1) O(1) 2.7930(8) yes . 11_555
Ca(1) O(2) 2.4523(11) yes . 2_554
Ca(1) O(2) 2.4523(15) yes . 4_664
Ca(1) O(2) 2.4523(10) yes . 6_564
Ca(1) O(3) 2.4071(13) yes . .
Ca(1) O(3) 2.4071(9) yes . 3_665
Ca(1) O(3) 2.4070(14) yes . 5_565
Ca(3) Cl(1) 2.782(3) yes . .
Ca(3) Cl(1) 2.782(3) yes . 8_555
Ca(3) P(1) 3.1302(13) yes . .
Ca(3) P(1) 3.356(3) yes . 3_655
Ca(3) F(1) 2.508(3) yes . .
Ca(3) O(1) 2.5610(16) yes . .
Ca(3) O(1) 2.3324(13) yes . 6_555
Ca(3) O(1) 2.3324(13) yes . 9_555
Ca(3) O(1) 2.5610(16) yes . 10_555
Ca(3) O(2) 2.274(3) yes . 3_655
Ca(3) O(3) 2.840(2) yes . 5_555
Cl(1) Cl(1) 0.997(3) yes . 7_556
Cl(1) F(1) 1.204(2) yes . .
P(1) O(1) 1.5165(10) yes . .
P(1) O(1) 1.5165(10) yes . 10_555
P(1) O(2) 1.5339(15) yes . .
P(1) O(3) 1.542(2) yes . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Ca(1) Ca(1) Ca(1) 180.0000 yes 8_564 . 8_565
Ca(1) Ca(1) P(1) 57.690(7) yes 8_564 . 2_554
Ca(1) Ca(1) P(1) 57.688(8) yes 8_564 . 4_664
Ca(1) Ca(1) P(1) 57.689(8) yes 8_564 . 6_564
Ca(1) Ca(1) O(1) 79.84(2) yes 8_564 . 7_665
Ca(1) Ca(1) O(1) 79.84(2) yes 8_564 . 9_565
Ca(1) Ca(1) O(1) 79.84(2) yes 8_564 . 11_555
Ca(1) Ca(1) O(2) 45.49(2) yes 8_564 . 2_554
Ca(1) Ca(1) O(2) 45.49(3) yes 8_564 . 4_664
Ca(1) Ca(1) O(2) 45.49(2) yes 8_564 . 6_564
Ca(1) Ca(1) O(3) 134.45(3) yes 8_564 . .
Ca(1) Ca(1) O(3) 134.45(2) yes 8_564 . 3_665
Ca(1) Ca(1) O(3) 134.46(3) yes 8_564 . 5_565
Ca(1) Ca(1) P(1) 122.312(7) yes 8_565 . 2_554
Ca(1) Ca(1) P(1) 122.309(8) yes 8_565 . 4_664
Ca(1) Ca(1) P(1) 122.312(8) yes 8_565 . 6_564
Ca(1) Ca(1) O(1) 100.16(2) yes 8_565 . 7_665
Ca(1) Ca(1) O(1) 100.16(2) yes 8_565 . 9_565
Ca(1) Ca(1) O(1) 100.16(2) yes 8_565 . 11_555
Ca(1) Ca(1) O(2) 134.51(2) yes 8_565 . 2_554
Ca(1) Ca(1) O(2) 134.51(3) yes 8_565 . 4_664
Ca(1) Ca(1) O(2) 134.51(2) yes 8_565 . 6_564
Ca(1) Ca(1) O(3) 45.55(3) yes 8_565 . .
Ca(1) Ca(1) O(3) 45.54(2) yes 8_565 . 3_665
Ca(1) Ca(1) O(3) 45.55(3) yes 8_565 . 5_565
P(1) Ca(1) P(1) 94.096(14) yes 2_554 . 4_664
P(1) Ca(1) P(1) 94.097(13) yes 2_554 . 6_564
P(1) Ca(1) O(1) 122.09(2) yes 2_554 . 7_665
P(1) Ca(1) O(1) 93.89(2) yes 2_554 . 9_565
P(1) Ca(1) O(1) 28.12(2) yes 2_554 . 11_555
P(1) Ca(1) O(2) 27.40(3) yes 2_554 . 2_554
P(1) Ca(1) O(2) 66.92(3) yes 2_554 . 4_664
P(1) Ca(1) O(2) 98.96(2) yes 2_554 . 6_564
P(1) Ca(1) O(3) 98.51(2) yes 2_554 . .
P(1) Ca(1) O(3) 166.36(3) yes 2_554 . 3_665
P(1) Ca(1) O(3) 90.19(2) yes 2_554 . 5_565
P(1) Ca(1) P(1) 94.096(15) yes 4_664 . 6_564
P(1) Ca(1) O(1) 28.12(2) yes 4_664 . 7_665
P(1) Ca(1) O(1) 122.10(2) yes 4_664 . 9_565
P(1) Ca(1) O(1) 93.89(3) yes 4_664 . 11_555
P(1) Ca(1) O(2) 98.95(3) yes 4_664 . 2_554
P(1) Ca(1) O(2) 27.40(3) yes 4_664 . 4_664
P(1) Ca(1) O(2) 66.92(4) yes 4_664 . 6_564
P(1) Ca(1) O(3) 90.18(4) yes 4_664 . .
P(1) Ca(1) O(3) 98.51(4) yes 4_664 . 3_665
P(1) Ca(1) O(3) 166.36(4) yes 4_664 . 5_565
P(1) Ca(1) O(1) 93.89(2) yes 6_564 . 7_665
P(1) Ca(1) O(1) 28.12(2) yes 6_564 . 9_565
P(1) Ca(1) O(1) 122.10(2) yes 6_564 . 11_555
P(1) Ca(1) O(2) 66.92(3) yes 6_564 . 2_554
P(1) Ca(1) O(2) 98.96(3) yes 6_564 . 4_664
P(1) Ca(1) O(2) 27.40(4) yes 6_564 . 6_564
P(1) Ca(1) O(3) 166.36(2) yes 6_564 . .
P(1) Ca(1) O(3) 90.19(3) yes 6_564 . 3_665
P(1) Ca(1) O(3) 98.51(4) yes 6_564 . 5_565
O(1) Ca(1) O(1) 116.96(3) yes 7_665 . 9_565
O(1) Ca(1) O(1) 116.96(3) yes 7_665 . 11_555
O(1) Ca(1) O(2) 124.64(3) yes 7_665 . 2_554
O(1) Ca(1) O(2) 55.18(3) yes 7_665 . 4_664
O(1) Ca(1) O(2) 68.38(5) yes 7_665 . 6_564
O(1) Ca(1) O(3) 83.83(4) yes 7_665 . .
O(1) Ca(1) O(3) 70.39(4) yes 7_665 . 3_665
O(1) Ca(1) O(3) 144.46(3) yes 7_665 . 5_565
O(1) Ca(1) O(1) 116.96(3) yes 9_565 . 11_555
O(1) Ca(1) O(2) 68.39(4) yes 9_565 . 2_554
O(1) Ca(1) O(2) 124.65(4) yes 9_565 . 4_664
O(1) Ca(1) O(2) 55.18(5) yes 9_565 . 6_564
O(1) Ca(1) O(3) 144.46(4) yes 9_565 . .
O(1) Ca(1) O(3) 83.83(5) yes 9_565 . 3_665
O(1) Ca(1) O(3) 70.39(4) yes 9_565 . 5_565
O(1) Ca(1) O(2) 55.18(4) yes 11_555 . 2_554
O(1) Ca(1) O(2) 68.38(3) yes 11_555 . 4_664
O(1) Ca(1) O(2) 124.64(3) yes 11_555 . 6_564
O(1) Ca(1) O(3) 70.39(3) yes 11_555 . .
O(1) Ca(1) O(3) 144.46(3) yes 11_555 . 3_665
O(1) Ca(1) O(3) 83.83(3) yes 11_555 . 5_565
O(2) Ca(1) O(2) 76.28(5) yes 2_554 . 4_664
O(2) Ca(1) O(2) 76.28(3) yes 2_554 . 6_564
O(2) Ca(1) O(3) 125.16(4) yes 2_554 . .
O(2) Ca(1) O(3) 152.03(6) yes 2_554 . 3_665
O(2) Ca(1) O(3) 90.79(4) yes 2_554 . 5_565
O(2) Ca(1) O(2) 76.28(5) yes 4_664 . 6_564
O(2) Ca(1) O(3) 90.79(4) yes 4_664 . .
O(2) Ca(1) O(3) 125.16(5) yes 4_664 . 3_665
O(2) Ca(1) O(3) 152.03(4) yes 4_664 . 5_565
O(2) Ca(1) O(3) 152.02(5) yes 6_564 . .
O(2) Ca(1) O(3) 90.79(3) yes 6_564 . 3_665
O(2) Ca(1) O(3) 125.16(6) yes 6_564 . 5_565
O(3) Ca(1) O(3) 76.37(4) yes . . 3_665
O(3) Ca(1) O(3) 76.37(5) yes . . 5_565
O(3) Ca(1) O(3) 76.37(4) yes 3_665 . 5_565
Ca(2) Ca(3) Cl(1) 25.98(13) yes . . .
Ca(2) Ca(3) Cl(1) 25.98(13) yes . . 8_555
Ca(2) Ca(3) P(1) 77.7(7) yes . . .
Ca(2) Ca(3) P(1) 170.7(7) yes . . 3_655
Ca(2) Ca(3) F(1) 4.3(7) yes . . .
Ca(2) Ca(3) O(1) 76.7(6) yes . . .
Ca(2) Ca(3) O(1) 102.4(2) yes . . 6_555
Ca(2) Ca(3) O(1) 102.4(2) yes . . 9_555
Ca(2) Ca(3) O(1) 76.7(6) yes . . 10_555
Ca(2) Ca(3) O(2) 148.0(7) yes . . 3_655
Ca(2) Ca(3) O(3) 106.0(7) yes . . 5_555
Cl(1) Ca(3) Cl(1) 51.28(9) yes . . 8_555
Cl(1) Ca(3) P(1) 82.83(7) yes . . .
Cl(1) Ca(3) P(1) 153.92(5) yes . . 3_655
Cl(1) Ca(3) F(1) 25.64(5) yes . . .
Cl(1) Ca(3) O(1) 93.38(11) yes . . .
Cl(1) Ca(3) O(1) 76.63(8) yes . . 6_555
Cl(1) Ca(3) O(1) 125.25(13) yes . . 9_555
Cl(1) Ca(3) O(1) 69.17(7) yes . . 10_555
Cl(1) Ca(3) O(2) 143.00(5) yes . . 3_655
Cl(1) Ca(3) O(3) 100.49(7) yes . . 5_555
Cl(1) Ca(3) P(1) 82.83(7) yes 8_555 . .
Cl(1) Ca(3) P(1) 153.92(5) yes 8_555 . 3_655
Cl(1) Ca(3) F(1) 25.64(5) yes 8_555 . .
Cl(1) Ca(3) O(1) 69.17(7) yes 8_555 . .
Cl(1) Ca(3) O(1) 125.25(13) yes 8_555 . 6_555
Cl(1) Ca(3) O(1) 76.63(8) yes 8_555 . 9_555
Cl(1) Ca(3) O(1) 93.38(11) yes 8_555 . 10_555
Cl(1) Ca(3) O(2) 143.00(5) yes 8_555 . 3_655
Cl(1) Ca(3) O(3) 100.49(7) yes 8_555 . 5_555
P(1) Ca(3) P(1) 93.01(6) yes . . 3_655
P(1) Ca(3) F(1) 82.04(7) yes . . .
P(1) Ca(3) O(1) 28.74(2) yes . . .
P(1) Ca(3) O(1) 108.97(3) yes . . 6_555
P(1) Ca(3) O(1) 108.97(3) yes . . 9_555
P(1) Ca(3) O(1) 28.74(2) yes . . 10_555
P(1) Ca(3) O(2) 70.32(5) yes . . 3_655
P(1) Ca(3) O(3) 176.31(15) yes . . 5_555
P(1) Ca(3) F(1) 175.06(4) yes 3_655 . .
P(1) Ca(3) O(1) 95.14(8) yes 3_655 . .
P(1) Ca(3) O(1) 80.49(10) yes 3_655 . 6_555
P(1) Ca(3) O(1) 80.49(10) yes 3_655 . 9_555
P(1) Ca(3) O(1) 95.14(8) yes 3_655 . 10_555
P(1) Ca(3) O(2) 22.69(6) yes 3_655 . 3_655
P(1) Ca(3) O(3) 83.30(9) yes 3_655 . 5_555
F(1) Ca(3) O(1) 80.53(9) yes . . .
F(1) Ca(3) O(1) 101.07(10) yes . . 6_555
F(1) Ca(3) O(1) 101.07(10) yes . . 9_555
F(1) Ca(3) O(1) 80.53(9) yes . . 10_555
F(1) Ca(3) O(2) 152.37(8) yes . . 3_655
F(1) Ca(3) O(3) 101.65(8) yes . . 5_555
O(1) Ca(3) O(1) 137.63(4) yes . . 6_555
O(1) Ca(3) O(1) 81.04(3) yes . . 9_555
O(1) Ca(3) O(1) 57.23(4) yes . . 10_555
O(1) Ca(3) O(2) 75.28(7) yes . . 3_655
O(1) Ca(3) O(3) 151.37(2) yes . . 5_555
O(1) Ca(3) O(1) 138.13(12) yes 6_555 . 9_555
O(1) Ca(3) O(1) 81.04(3) yes 6_555 . 10_555
O(1) Ca(3) O(2) 88.27(10) yes 6_555 . 3_655
O(1) Ca(3) O(3) 70.49(4) yes 6_555 . 5_555
O(1) Ca(3) O(1) 137.63(4) yes 9_555 . 10_555
O(1) Ca(3) O(2) 88.27(10) yes 9_555 . 3_655
O(1) Ca(3) O(3) 70.49(4) yes 9_555 . 5_555
O(1) Ca(3) O(2) 75.28(7) yes 10_555 . 3_655
O(1) Ca(3) O(3) 151.37(2) yes 10_555 . 5_555
O(2) Ca(3) O(3) 105.99(14) yes 3_655 . 5_555
Ca(3) Ca(2) Cl(1) 151.54(17) yes . . .
Ca(3) Ca(2) Cl(1) 135.51(15) yes . . 2_554
Ca(3) Ca(2) Cl(1) 135.51(15) yes . . 7_556
Ca(3) Ca(2) Cl(1) 151.54(17) yes . . 8_555
Ca(3) Ca(2) P(1) 97.7(7) yes . . .
Ca(3) Ca(2) F(1) 175.2(7) yes . . .
Ca(3) Ca(2) O(1) 97.7(7) yes . . .
Ca(3) Ca(2) O(1) 71.7(3) yes . . 6_555
Ca(3) Ca(2) O(1) 71.7(3) yes . . 9_555
Ca(3) Ca(2) O(1) 97.7(7) yes . . 10_555
Ca(3) Ca(2) O(2) 28.9(6) yes . . 3_655
Ca(3) Ca(2) O(3) 69.2(7) yes . . 5_555
Cl(1) Ca(2) Cl(1) 72.4(2) yes . . 2_554
Cl(1) Ca(2) Cl(1) 16.20(6) yes . . 7_556
Cl(1) Ca(2) Cl(1) 56.2(2) yes . . 8_555
Cl(1) Ca(2) P(1) 87.4(2) yes . . .
Cl(1) Ca(2) F(1) 28.08(12) yes . . .
Cl(1) Ca(2) O(1) 100.2(3) yes . . .
Cl(1) Ca(2) O(1) 80.06(15) yes . . 6_555
Cl(1) Ca(2) O(1) 133.0(3) yes . . 9_555
Cl(1) Ca(2) O(1) 73.6(2) yes . . 10_555
Cl(1) Ca(2) O(2) 143.66(9) yes . . 3_655
Cl(1) Ca(2) O(3) 104.01(18) yes . . 5_555
Cl(1) Ca(2) Cl(1) 88.6(2) yes 2_554 . 7_556
Cl(1) Ca(2) Cl(1) 16.20(6) yes 2_554 . 8_555
Cl(1) Ca(2) P(1) 87.93(17) yes 2_554 . .
Cl(1) Ca(2) F(1) 44.28(14) yes 2_554 . .
Cl(1) Ca(2) O(1) 67.44(15) yes 2_554 . .
Cl(1) Ca(2) O(1) 147.2(3) yes 2_554 . 6_555
Cl(1) Ca(2) O(1) 64.71(12) yes 2_554 . 9_555
Cl(1) Ca(2) O(1) 107.3(2) yes 2_554 . 10_555
Cl(1) Ca(2) O(2) 130.82(9) yes 2_554 . 3_655
Cl(1) Ca(2) O(3) 101.33(13) yes 2_554 . 5_555
Cl(1) Ca(2) Cl(1) 72.4(2) yes 7_556 . 8_555
Cl(1) Ca(2) P(1) 87.93(17) yes 7_556 . .
Cl(1) Ca(2) F(1) 44.28(14) yes 7_556 . .
Cl(1) Ca(2) O(1) 107.3(2) yes 7_556 . .
Cl(1) Ca(2) O(1) 64.71(12) yes 7_556 . 6_555
Cl(1) Ca(2) O(1) 147.2(3) yes 7_556 . 9_555
Cl(1) Ca(2) O(1) 67.44(15) yes 7_556 . 10_555
Cl(1) Ca(2) O(2) 130.82(9) yes 7_556 . 3_655
Cl(1) Ca(2) O(3) 101.33(13) yes 7_556 . 5_555
Cl(1) Ca(2) P(1) 87.4(2) yes 8_555 . .
Cl(1) Ca(2) F(1) 28.08(12) yes 8_555 . .
Cl(1) Ca(2) O(1) 73.6(2) yes 8_555 . .
Cl(1) Ca(2) O(1) 133.0(3) yes 8_555 . 6_555
Cl(1) Ca(2) O(1) 80.06(15) yes 8_555 . 9_555
Cl(1) Ca(2) O(1) 100.2(3) yes 8_555 . 10_555
Cl(1) Ca(2) O(2) 143.66(9) yes 8_555 . 3_655
Cl(1) Ca(2) O(3) 104.01(18) yes 8_555 . 5_555
P(1) Ca(2) F(1) 87.1(2) yes . . .
P(1) Ca(2) O(1) 29.20(4) yes . . .
P(1) Ca(2) O(1) 108.52(9) yes . . 6_555
P(1) Ca(2) O(1) 108.52(9) yes . . 9_555
P(1) Ca(2) O(1) 29.20(4) yes . . 10_555
P(1) Ca(2) O(2) 68.82(12) yes . . 3_655
P(1) Ca(2) O(3) 167.0(4) yes . . 5_555
F(1) Ca(2) O(1) 86.5(2) yes . . .
F(1) Ca(2) O(1) 106.8(2) yes . . 6_555
F(1) Ca(2) O(1) 106.8(2) yes . . 9_555
F(1) Ca(2) O(1) 86.5(2) yes . . 10_555
F(1) Ca(2) O(2) 155.93(19) yes . . 3_655
F(1) Ca(2) O(3) 105.9(2) yes . . 5_555
O(1) Ca(2) O(1) 136.43(16) yes . . 6_555
O(1) Ca(2) O(1) 80.73(6) yes . . 9_555
O(1) Ca(2) O(1) 58.37(7) yes . . 10_555
O(1) Ca(2) O(2) 72.53(17) yes . . 3_655
O(1) Ca(2) O(3) 148.66(19) yes . . 5_555
O(1) Ca(2) O(1) 130.5(3) yes 6_555 . 9_555
O(1) Ca(2) O(1) 80.73(6) yes 6_555 . 10_555
O(1) Ca(2) O(2) 82.0(2) yes 6_555 . 3_655
O(1) Ca(2) O(3) 68.22(12) yes 6_555 . 5_555
O(1) Ca(2) O(1) 136.43(16) yes 9_555 . 10_555
O(1) Ca(2) O(2) 82.0(2) yes 9_555 . 3_655
O(1) Ca(2) O(3) 68.22(12) yes 9_555 . 5_555
O(1) Ca(2) O(2) 72.53(17) yes 10_555 . 3_655
O(1) Ca(2) O(3) 148.66(19) yes 10_555 . 5_555
O(2) Ca(2) O(3) 98.2(3) yes 3_655 . 5_555
Ca(3) Cl(1) Ca(3) 102.66(8) yes . . 3_555
Ca(3) Cl(1) Ca(3) 102.66(8) yes . . 5_555
Ca(3) Cl(1) Ca(2) 2.48(12) yes . . .
Ca(3) Cl(1) Ca(2) 89.09(19) yes . . 2_555
Ca(3) Cl(1) Ca(2) 101.5(2) yes . . 3_555
Ca(3) Cl(1) Ca(2) 161.36(16) yes . . 4_555
Ca(3) Cl(1) Ca(2) 100.8(2) yes . . 5_555
Ca(3) Cl(1) Ca(2) 88.55(19) yes . . 6_555
Ca(3) Cl(1) Cl(1) 115.64(5) yes . . 7_556
Ca(3) Cl(1) F(1) 64.36(5) yes . . .
Ca(3) Cl(1) Ca(3) 102.66(8) yes 3_555 . 5_555
Ca(3) Cl(1) Ca(2) 100.85(12) yes 3_555 . .
Ca(3) Cl(1) Ca(2) 88.55(11) yes 3_555 . 2_555
Ca(3) Cl(1) Ca(2) 2.48(4) yes 3_555 . 3_555
Ca(3) Cl(1) Ca(2) 89.09(12) yes 3_555 . 4_555
Ca(3) Cl(1) Ca(2) 101.53(16) yes 3_555 . 5_555
Ca(3) Cl(1) Ca(2) 161.36(11) yes 3_555 . 6_555
Ca(3) Cl(1) Cl(1) 115.64(4) yes 3_555 . 7_556
Ca(3) Cl(1) F(1) 64.36(4) yes 3_555 . .
Ca(3) Cl(1) Ca(2) 101.53(12) yes 5_555 . .
Ca(3) Cl(1) Ca(2) 161.36(10) yes 5_555 . 2_555
Ca(3) Cl(1) Ca(2) 100.85(15) yes 5_555 . 3_555
Ca(3) Cl(1) Ca(2) 88.55(11) yes 5_555 . 4_555
Ca(3) Cl(1) Ca(2) 2.48(11) yes 5_555 . 5_555
Ca(3) Cl(1) Ca(2) 89.09(10) yes 5_555 . 6_555
Ca(3) Cl(1) Cl(1) 115.64(4) yes 5_555 . 7_556
Ca(3) Cl(1) F(1) 64.36(4) yes 5_555 . .
Ca(2) Cl(1) Ca(2) 90.7(2) yes . . 2_555
Ca(2) Cl(1) Ca(2) 99.7(2) yes . . 3_555
Ca(2) Cl(1) Ca(2) 163.8(2) yes . . 4_555
Ca(2) Cl(1) Ca(2) 99.7(2) yes . . 5_555
Ca(2) Cl(1) Ca(2) 90.7(2) yes . . 6_555
Ca(2) Cl(1) Cl(1) 118.08(12) yes . . 7_556
Ca(2) Cl(1) F(1) 61.92(12) yes . . .
Ca(2) Cl(1) Ca(2) 90.73(14) yes 2_555 . 3_555
Ca(2) Cl(1) Ca(2) 76.6(2) yes 2_555 . 4_555
Ca(2) Cl(1) Ca(2) 163.80(12) yes 2_555 . 5_555
Ca(2) Cl(1) Ca(2) 76.63(11) yes 2_555 . 6_555
Ca(2) Cl(1) Cl(1) 45.72(8) yes 2_555 . 7_556
Ca(2) Cl(1) F(1) 134.28(8) yes 2_555 . .
Ca(2) Cl(1) Ca(2) 90.7(2) yes 3_555 . 4_555
Ca(2) Cl(1) Ca(2) 99.7(2) yes 3_555 . 5_555
Ca(2) Cl(1) Ca(2) 163.80(13) yes 3_555 . 6_555
Ca(2) Cl(1) Cl(1) 118.08(8) yes 3_555 . 7_556
Ca(2) Cl(1) F(1) 61.92(8) yes 3_555 . .
Ca(2) Cl(1) Ca(2) 90.7(2) yes 4_555 . 5_555
Ca(2) Cl(1) Ca(2) 76.6(2) yes 4_555 . 6_555
Ca(2) Cl(1) Cl(1) 45.72(14) yes 4_555 . 7_556
Ca(2) Cl(1) F(1) 134.28(14) yes 4_555 . .
Ca(2) Cl(1) Ca(2) 90.73(14) yes 5_555 . 6_555
Ca(2) Cl(1) Cl(1) 118.08(7) yes 5_555 . 7_556
Ca(2) Cl(1) F(1) 61.92(7) yes 5_555 . .
Ca(2) Cl(1) Cl(1) 45.72(9) yes 6_555 . 7_556
Ca(2) Cl(1) F(1) 134.28(9) yes 6_555 . .
Cl(1) Cl(1) F(1) 180.0000 yes 7_556 . .
Ca(1) P(1) Ca(1) 64.623(15) yes 2_655 . 7_665
Ca(1) P(1) Ca(3) 77.69(6) yes 2_655 . .
Ca(1) P(1) Ca(3) 74.53(5) yes 2_655 . 5_665
Ca(1) P(1) Ca(2) 81.53(17) yes 2_655 . .
Ca(1) P(1) O(1) 111.60(6) yes 2_655 . .
Ca(1) P(1) O(1) 60.23(5) yes 2_655 . 10_555
Ca(1) P(1) O(2) 47.36(5) yes 2_655 . .
Ca(1) P(1) O(3) 135.89(3) yes 2_655 . .
Ca(1) P(1) Ca(3) 77.69(6) yes 7_665 . .
Ca(1) P(1) Ca(3) 74.53(5) yes 7_665 . 5_665
Ca(1) P(1) Ca(2) 81.53(17) yes 7_665 . .
Ca(1) P(1) O(1) 60.23(5) yes 7_665 . .
Ca(1) P(1) O(1) 111.60(6) yes 7_665 . 10_555
Ca(1) P(1) O(2) 47.36(5) yes 7_665 . .
Ca(1) P(1) O(3) 135.89(3) yes 7_665 . .
Ca(3) P(1) Ca(3) 146.99(9) yes . . 5_665
Ca(3) P(1) Ca(2) 4.6(2) yes . . .
Ca(3) P(1) O(1) 54.30(4) yes . . .
Ca(3) P(1) O(1) 54.30(4) yes . . 10_555
Ca(3) P(1) O(2) 112.12(10) yes . . .
Ca(3) P(1) O(3) 136.45(8) yes . . .
Ca(3) P(1) Ca(2) 151.6(2) yes 5_665 . .
Ca(3) P(1) O(1) 121.97(4) yes 5_665 . .
Ca(3) P(1) O(1) 121.97(4) yes 5_665 . 10_555
Ca(3) P(1) O(2) 34.87(9) yes 5_665 . .
Ca(3) P(1) O(3) 76.56(8) yes 5_665 . .
Ca(2) P(1) O(1) 54.02(4) yes . . .
Ca(2) P(1) O(1) 54.02(4) yes . . 10_555
Ca(2) P(1) O(2) 116.7(2) yes . . .
Ca(2) P(1) O(3) 131.9(2) yes . . .
O(1) P(1) O(1) 107.95(6) yes . . 10_555
O(1) P(1) O(2) 106.74(6) yes . . .
O(1) P(1) O(3) 111.84(6) yes . . .
O(1) P(1) O(2) 106.74(6) yes 10_555 . .
O(1) P(1) O(3) 111.84(6) yes 10_555 . .
O(2) P(1) O(3) 111.43(9) yes . . .
Ca(3) F(1) Ca(3) 120.00(8) yes . . 3_555
Ca(3) F(1) Ca(3) 120.00(8) yes . . 5_555
Ca(3) F(1) Ca(2) 0.49(7) yes . . .
Ca(3) F(1) Ca(2) 120.5(2) yes . . 3_555
Ca(3) F(1) Ca(2) 119.5(2) 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(11) yes 3_555 . 5_555
Ca(3) F(1) Ca(2) 119.51(10) yes 3_555 . .
Ca(3) F(1) Ca(2) 0.5(2) yes 3_555 . 3_555
Ca(3) F(1) Ca(2) 120.5(2) 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) 120.49(11) yes 5_555 . .
Ca(3) F(1) Ca(2) 119.5(2) yes 5_555 . 3_555
Ca(3) F(1) Ca(2) 0.5(2) 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(2) yes . . 3_555
Ca(2) F(1) Ca(2) 120.0(2) 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(3) yes 3_555 . 5_555
Ca(2) F(1) Cl(1) 90.0000 yes 3_555 . .
Ca(2) F(1) Cl(1) 90.0000 yes 3_555 . 8_555
Ca(2) F(1) Cl(1) 90.0000 yes 5_555 . .
Ca(2) F(1) Cl(1) 90.0000 yes 5_555 . 8_555
Cl(1) F(1) Cl(1) 180.0000 yes . . 8_555
Ca(1) O(1) Ca(3) 95.98(10) yes 7_665 . .
Ca(1) O(1) Ca(3) 100.49(9) yes 7_665 . 2_554
Ca(1) O(1) Ca(2) 101.6(2) yes 7_665 . .
Ca(1) O(1) Ca(2) 104.6(2) yes 7_665 . 2_554
Ca(1) O(1) P(1) 91.65(5) yes 7_665 . .
Ca(3) O(1) Ca(3) 119.52(5) yes . . 2_554
Ca(3) O(1) Ca(2) 5.6(2) yes . . .
Ca(3) O(1) Ca(2) 114.45(8) yes . . 2_554
Ca(3) O(1) P(1) 96.95(5) yes . . .
Ca(3) O(1) Ca(2) 117.78(10) yes 2_554 . .
Ca(3) O(1) Ca(2) 5.89(13) yes 2_554 . 2_554
Ca(3) O(1) P(1) 139.62(9) yes 2_554 . .
Ca(2) O(1) Ca(2) 112.43(13) yes . . 2_554
Ca(2) O(1) P(1) 96.77(5) yes . . .
Ca(2) O(1) P(1) 142.29(18) yes 2_554 . .
Ca(1) O(2) Ca(1) 89.02(6) yes 2_655 . 7_665
Ca(1) O(2) Ca(3) 114.74(7) yes 2_655 . 5_665
Ca(1) O(2) Ca(2) 112.76(17) yes 2_655 . 5_665
Ca(1) O(2) P(1) 105.24(5) yes 2_655 . .
Ca(1) O(2) Ca(3) 114.74(7) yes 7_665 . 5_665
Ca(1) O(2) Ca(2) 112.76(17) yes 7_665 . 5_665
Ca(1) O(2) P(1) 105.24(5) yes 7_665 . .
Ca(3) O(2) Ca(2) 3.1(2) yes 5_665 . 5_665
Ca(3) O(2) P(1) 122.44(15) yes 5_665 . .
Ca(2) O(2) P(1) 125.5(2) yes 5_665 . .
Ca(1) O(3) Ca(1) 88.91(6) yes . . 8_565
Ca(1) O(3) Ca(3) 97.36(6) yes . . 3_555
Ca(1) O(3) Ca(2) 100.72(13) yes . . 3_555
Ca(1) O(3) P(1) 132.06(4) yes . . .
Ca(1) O(3) Ca(3) 97.36(6) yes 8_565 . 3_555
Ca(1) O(3) Ca(2) 100.72(13) yes 8_565 . 3_555
Ca(1) O(3) P(1) 132.06(4) yes 8_565 . .
Ca(3) O(3) Ca(2) 4.76(18) yes 3_555 . 3_555
Ca(3) O(3) P(1) 99.86(8) yes 3_555 . .
Ca(2) O(3) P(1) 95.10(18) yes 3_555 . .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ca(1) Ca(1) P(1) Ca(3) 82.065(18) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) Ca(2) 84.60(5) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(1) 38.85(5) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(2) -54.39(7) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(3) -130.73(8) ? 8_564 . 2_554 2_554
P(1) Ca(1) Ca(1) P(1) -119.999(17) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) P(1) 120.000(18) ? 2_554 . 8_564 6_564
P(1) Ca(1) Ca(1) O(1) -18.76(3) ? 2_554 . 8_564 2_554
P(1) Ca(1) Ca(1) O(1) -138.76(2) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) O(1) 101.23(2) ? 2_554 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) 31.64(6) ? 2_554 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) -88.36(4) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) 151.64(6) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) 82.07(4) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) Ca(2) 84.60(11) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) 38.85(3) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(2) -54.39(7) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) -130.73(5) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) 137.79(5) ? 8_564 . 4_664 7_665
P(1) Ca(1) Ca(1) P(1) 119.999(17) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) P(1) -120.001(14) ? 4_664 . 8_564 6_564
P(1) Ca(1) Ca(1) O(1) 101.23(3) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) O(1) -18.77(2) ? 4_664 . 8_564 4_664
P(1) Ca(1) Ca(1) O(1) -138.77(2) ? 4_664 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) 151.64(6) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) 31.64(4) ? 4_664 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) -88.36(6) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) 82.07(2) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) Ca(2) 84.60(7) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(1) 38.85(6) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(2) -54.39(4) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(3) -130.73(9) ? 8_564 . 6_564 6_564
P(1) Ca(1) Ca(1) P(1) -120.000(18) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) P(1) 120.001(14) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(1) -138.76(3) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) O(1) 101.24(2) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(1) -18.77(2) ? 6_564 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) -88.36(6) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) 151.64(4) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) 31.64(6) ? 6_564 . 8_564 6_564
O(1) Ca(1) Ca(1) P(1) 138.76(2) ? 7_665 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) 18.76(2) ? 7_665 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) -101.24(2) ? 7_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(1) 120.00(4) ? 7_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(1) -120.00(3) ? 7_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) 170.40(6) ? 7_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) 50.41(4) ? 7_665 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) -69.60(7) ? 7_665 . 8_564 6_564
O(1) Ca(1) Ca(1) P(1) -101.24(2) ? 9_565 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) 138.77(2) ? 9_565 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) 18.76(2) ? 9_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(1) -120.00(4) ? 9_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(1) 120.00(3) ? 9_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(1) -0.00(3) ? 9_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) -69.60(6) ? 9_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) 170.41(4) ? 9_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) 50.41(6) ? 9_565 . 8_564 6_564
Ca(1) Ca(1) O(1) Ca(3) 61.93(4) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(1) Ca(2) 62.03(11) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(1) P(1) -35.23(5) ? 8_564 . 11_555 2_554
O(1) Ca(1) Ca(1) P(1) 18.77(3) ? 11_555 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) -101.23(3) ? 11_555 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) 138.77(3) ? 11_555 . 8_564 6_564
O(1) Ca(1) Ca(1) O(1) 0.00(4) ? 11_555 . 8_564 2_554
O(1) Ca(1) Ca(1) O(1) -120.00(4) ? 11_555 . 8_564 4_664
O(1) Ca(1) Ca(1) O(1) 120.00(4) ? 11_555 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) 50.41(6) ? 11_555 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) -69.59(5) ? 11_555 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) 170.41(7) ? 11_555 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.53(9) ? 8_564 . 2_554 2_554
O(2) Ca(1) Ca(1) P(1) -31.64(6) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) -151.64(6) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) 88.36(6) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(1) -50.40(6) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) O(1) -170.40(6) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(1) 69.59(6) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(7) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(2) 120.00(8) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.53(7) ? 8_564 . 4_664 4_664
O(2) Ca(1) Ca(1) P(1) 88.36(4) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) -31.64(4) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) -151.64(4) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(1) 69.59(5) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(1) -50.41(4) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) O(1) -170.41(4) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) 120.00(7) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) -120.00(7) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.53(6) ? 8_564 . 6_564 6_564
O(2) Ca(1) Ca(1) P(1) -151.64(6) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) 88.36(6) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) -31.64(6) ? 6_564 . 8_564 6_564
O(2) Ca(1) Ca(1) O(1) -170.40(7) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(1) 69.59(7) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) O(1) -50.41(6) ? 6_564 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(8) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) 120.00(7) ? 6_564 . 8_564 4_664
Ca(1) Ca(1) O(3) Ca(1) 179.996128(4) ? 8_564 . . 8_565
Ca(1) Ca(1) O(3) P(1) 27.72(12) ? 8_564 . . .
Ca(1) Ca(1) O(3) Ca(3) -82.72(7) ? 8_564 . . 3_555
Ca(1) Ca(1) O(3) Ca(2) -79.30(14) ? 8_564 . . 3_555
O(3) Ca(1) Ca(1) P(1) 67.97(5) ? . . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) -52.03(5) ? . . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) -172.03(5) ? . . 8_564 6_564
O(3) Ca(1) Ca(1) O(1) 49.20(6) ? . . 8_564 2_554
O(3) Ca(1) Ca(1) O(1) -70.80(5) ? . . 8_564 4_664
O(3) Ca(1) Ca(1) O(1) 169.20(5) ? . . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) 99.61(7) ? . . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) -20.39(6) ? . . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) -140.39(8) ? . . 8_564 6_564
Ca(1) Ca(1) O(3) Ca(1) -179.996045(3) ? 8_564 . 3_665 8_565
Ca(1) Ca(1) O(3) P(1) 27.72(19) ? 8_564 . 3_665 3_665
O(3) Ca(1) Ca(1) P(1) -172.04(7) ? 3_665 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) 67.96(7) ? 3_665 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) -52.04(7) ? 3_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(1) 169.20(7) ? 3_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(1) 49.20(7) ? 3_665 . 8_564 4_664
O(3) Ca(1) Ca(1) O(1) -70.81(7) ? 3_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) -140.40(9) ? 3_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) 99.60(8) ? 3_665 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) -20.40(9) ? 3_665 . 8_564 6_564
Ca(1) Ca(1) O(3) P(1) 27.72(15) ? 8_564 . 5_565 5_565
O(3) Ca(1) Ca(1) P(1) -52.04(4) ? 5_565 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) -172.03(4) ? 5_565 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) 67.96(4) ? 5_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(1) -70.80(5) ? 5_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(1) 169.20(5) ? 5_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(1) 49.20(5) ? 5_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) -20.40(7) ? 5_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) -140.39(6) ? 5_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) 99.60(8) ? 5_565 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(3) -97.932(18) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) Ca(2) -95.40(5) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(1) -141.15(5) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(2) 125.62(7) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(3) 49.28(8) ? 8_565 . 2_554 2_554
P(1) Ca(1) Ca(1) O(3) 67.96(5) ? 2_554 . 8_565 .
P(1) Ca(1) Ca(1) O(3) -172.04(7) ? 2_554 . 8_565 3_665
P(1) Ca(1) Ca(1) O(3) -52.04(4) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) P(1) Ca(3) -97.93(4) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) Ca(2) -95.40(11) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) -141.15(3) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(2) 125.61(7) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) 49.27(5) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) -42.21(5) ? 8_565 . 4_664 7_665
P(1) Ca(1) Ca(1) O(3) -52.04(5) ? 4_664 . 8_565 .
P(1) Ca(1) Ca(1) O(3) 67.96(7) ? 4_664 . 8_565 3_665
P(1) Ca(1) Ca(1) O(3) -172.04(4) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) P(1) Ca(3) -97.94(2) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) Ca(2) -95.41(7) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(1) -141.15(6) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(2) 125.61(4) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(3) 49.27(9) ? 8_565 . 6_564 6_564
P(1) Ca(1) Ca(1) O(3) -172.04(5) ? 6_564 . 8_565 .
P(1) Ca(1) Ca(1) O(3) -52.04(7) ? 6_564 . 8_565 3_665
P(1) Ca(1) Ca(1) O(3) 67.97(4) ? 6_564 . 8_565 5_565
O(1) Ca(1) Ca(1) O(3) -70.80(5) ? 7_665 . 8_565 .
O(1) Ca(1) Ca(1) O(3) 49.20(7) ? 7_665 . 8_565 3_665
O(1) Ca(1) Ca(1) O(3) 169.20(5) ? 7_665 . 8_565 5_565
O(1) Ca(1) Ca(1) O(3) 169.20(5) ? 9_565 . 8_565 .
O(1) Ca(1) Ca(1) O(3) -70.80(7) ? 9_565 . 8_565 3_665
O(1) Ca(1) Ca(1) O(3) 49.20(5) ? 9_565 . 8_565 5_565
Ca(1) Ca(1) O(1) Ca(3) -118.06(4) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(1) Ca(2) -117.97(11) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(1) P(1) 144.77(5) ? 8_565 . 11_555 2_554
O(1) Ca(1) Ca(1) O(3) 49.20(6) ? 11_555 . 8_565 .
O(1) Ca(1) Ca(1) O(3) 169.20(7) ? 11_555 . 8_565 3_665
O(1) Ca(1) Ca(1) O(3) -70.80(5) ? 11_555 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.46(9) ? 8_565 . 2_554 2_554
O(2) Ca(1) Ca(1) O(3) 99.60(7) ? 2_554 . 8_565 .
O(2) Ca(1) Ca(1) O(3) -140.40(9) ? 2_554 . 8_565 3_665
O(2) Ca(1) Ca(1) O(3) -20.40(7) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.47(7) ? 8_565 . 4_664 4_664
O(2) Ca(1) Ca(1) O(3) -20.40(6) ? 4_664 . 8_565 .
O(2) Ca(1) Ca(1) O(3) 99.60(8) ? 4_664 . 8_565 3_665
O(2) Ca(1) Ca(1) O(3) -140.40(6) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.47(6) ? 8_565 . 6_564 6_564
O(2) Ca(1) Ca(1) O(3) -140.39(8) ? 6_564 . 8_565 .
O(2) Ca(1) Ca(1) O(3) -20.39(9) ? 6_564 . 8_565 3_665
O(2) Ca(1) Ca(1) O(3) 99.61(8) ? 6_564 . 8_565 5_565
Ca(1) Ca(1) O(3) P(1) -152.28(12) ? 8_565 . . .
Ca(1) Ca(1) O(3) Ca(3) 97.28(7) ? 8_565 . . 3_555
Ca(1) Ca(1) O(3) Ca(2) 100.70(14) ? 8_565 . . 3_555
O(3) Ca(1) Ca(1) O(3) 120.00(8) ? . . 8_565 3_665
O(3) Ca(1) Ca(1) O(3) -120.00(7) ? . . 8_565 5_565
Ca(1) Ca(1) O(3) P(1) -152.28(19) ? 8_565 . 3_665 3_665
O(3) Ca(1) Ca(1) O(3) -120.00(8) ? 3_665 . 8_565 .
O(3) Ca(1) Ca(1) O(3) 120.00(8) ? 3_665 . 8_565 5_565
Ca(1) Ca(1) O(3) P(1) -152.28(15) ? 8_565 . 5_565 5_565
O(3) Ca(1) Ca(1) O(3) 120.00(7) ? 5_565 . 8_565 .
O(3) Ca(1) Ca(1) O(3) -120.00(8) ? 5_565 . 8_565 3_665
P(1) Ca(1) P(1) Ca(3) 129.27(4) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) Ca(2) 131.80(11) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(1) 86.05(4) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(2) -7.18(7) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(3) -83.52(5) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(1) -175.00(5) ? 2_554 . 4_664 7_665
P(1) Ca(1) P(1) Ca(3) 34.859(19) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) Ca(2) 37.39(5) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(1) -8.36(5) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(2) -101.59(7) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(3) -177.93(7) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) Ca(3) 34.86(3) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) Ca(2) 37.39(7) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(1) -8.36(6) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(2) -101.59(4) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(3) -177.93(9) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) Ca(3) 129.27(2) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) Ca(2) 131.80(5) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(1) 86.05(5) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(2) -7.18(7) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(3) -83.52(7) ? 6_564 . 2_554 2_554
O(1) Ca(1) P(1) Ca(3) 32.08(3) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) 34.61(6) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) O(1) -11.14(6) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) O(2) -104.37(8) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) O(3) 179.29(8) ? 7_665 . 2_554 2_554
O(1) Ca(1) P(1) Ca(3) 157.46(2) ? 9_565 . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) 159.99(6) ? 9_565 . 2_554 2_554
O(1) Ca(1) P(1) O(1) 114.24(6) ? 9_565 . 2_554 2_554
O(1) Ca(1) P(1) O(2) 21.01(7) ? 9_565 . 2_554 2_554
O(1) Ca(1) P(1) O(3) -55.33(8) ? 9_565 . 2_554 2_554
P(1) Ca(1) O(1) Ca(3) 97.17(6) ? 2_554 . 11_555 2_554
P(1) Ca(1) O(1) Ca(2) 97.26(12) ? 2_554 . 11_555 2_554
O(1) Ca(1) P(1) Ca(3) -55.73(6) ? 11_555 . 2_554 2_554
O(1) Ca(1) P(1) Ca(2) -53.19(8) ? 11_555 . 2_554 2_554
O(1) Ca(1) P(1) O(1) -98.94(9) ? 11_555 . 2_554 2_554
O(1) Ca(1) P(1) O(2) 167.82(10) ? 11_555 . 2_554 2_554
O(1) Ca(1) P(1) O(3) 91.48(9) ? 11_555 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 136.45(7) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 138.98(9) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) O(1) 93.23(8) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) O(3) -76.34(11) ? 2_554 . 2_554 2_554
P(1) Ca(1) O(2) P(1) 172.21(7) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 31.27(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 33.81(6) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(1) -11.94(6) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(2) -105.18(8) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(3) 178.48(8) ? 4_664 . 2_554 2_554
P(1) Ca(1) O(2) P(1) 81.56(4) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 102.12(5) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 104.65(7) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(1) 58.90(7) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(2) -34.33(8) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(3) -110.67(9) ? 6_564 . 2_554 2_554
P(1) Ca(1) O(3) Ca(1) -127.62(3) ? 2_554 . . 8_565
P(1) Ca(1) O(3) P(1) 80.10(9) ? 2_554 . . .
P(1) Ca(1) O(3) Ca(3) -30.33(5) ? 2_554 . . 3_555
P(1) Ca(1) O(3) Ca(2) -26.91(13) ? 2_554 . . 3_555
O(3) Ca(1) P(1) Ca(3) -55.94(4) ? . . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) -53.41(6) ? . . 2_554 2_554
O(3) Ca(1) P(1) O(1) -99.16(7) ? . . 2_554 2_554
O(3) Ca(1) P(1) O(2) 167.61(8) ? . . 2_554 2_554
O(3) Ca(1) P(1) O(3) 91.27(8) ? . . 2_554 2_554
P(1) Ca(1) O(3) Ca(1) 29.8(2) ? 2_554 . 3_665 8_565
P(1) Ca(1) O(3) P(1) -122.51(10) ? 2_554 . 3_665 3_665
O(3) Ca(1) P(1) Ca(3) -122.72(19) ? 3_665 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) -120.2(2) ? 3_665 . 2_554 2_554
O(3) Ca(1) P(1) O(1) -165.94(19) ? 3_665 . 2_554 2_554
O(3) Ca(1) P(1) O(2) 100.8(2) ? 3_665 . 2_554 2_554
O(3) Ca(1) P(1) O(3) 24.5(2) ? 3_665 . 2_554 2_554
P(1) Ca(1) O(3) Ca(1) 138.22(3) ? 2_554 . 5_565 8_565
P(1) Ca(1) O(3) P(1) -14.07(12) ? 2_554 . 5_565 5_565
O(3) Ca(1) P(1) Ca(3) -132.18(4) ? 5_565 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) -129.65(6) ? 5_565 . 2_554 2_554
O(3) Ca(1) P(1) O(1) -175.40(6) ? 5_565 . 2_554 2_554
O(3) Ca(1) P(1) O(2) 91.37(8) ? 5_565 . 2_554 2_554
O(3) Ca(1) P(1) O(3) 15.03(8) ? 5_565 . 2_554 2_554
P(1) Ca(1) P(1) Ca(3) 129.27(2) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) Ca(2) 131.80(7) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(1) 86.05(6) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(2) -7.18(4) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(3) -83.52(9) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) Ca(3) 34.86(4) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) Ca(2) 37.39(11) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(1) -8.36(4) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(2) -101.59(7) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(3) -177.93(5) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(1) 90.59(5) ? 6_564 . 4_664 7_665
O(1) Ca(1) P(1) Ca(3) -55.73(6) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) -53.20(12) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) O(1) -98.94(6) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) O(2) 167.82(9) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) O(3) 91.48(7) ? 7_665 . 4_664 4_664
O(1) Ca(1) P(1) Ca(3) 32.08(4) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) 34.61(11) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) O(1) -11.14(5) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) O(2) -104.37(7) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) O(3) 179.29(6) ? 9_565 . 4_664 4_664
O(1) Ca(1) P(1) O(1) 87.81(5) ? 9_565 . 4_664 7_665
P(1) Ca(1) O(1) Ca(3) 5.75(4) ? 4_664 . 11_555 2_554
P(1) Ca(1) O(1) Ca(2) 5.84(11) ? 4_664 . 11_555 2_554
P(1) Ca(1) O(1) P(1) -91.42(6) ? 4_664 . 11_555 2_554
O(1) Ca(1) P(1) Ca(3) 157.46(4) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) Ca(2) 159.99(11) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) O(1) 114.24(4) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) O(2) 21.01(7) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -55.33(6) ? 11_555 . 4_664 4_664
O(1) Ca(1) P(1) O(1) -146.81(5) ? 11_555 . 4_664 7_665
P(1) Ca(1) O(2) P(1) 81.55(6) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 102.12(5) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 104.65(12) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 58.90(5) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(2) -34.33(8) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(3) -110.67(6) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 157.85(6) ? 2_554 . 4_664 7_665
O(2) Ca(1) P(1) Ca(3) 136.45(8) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 138.98(13) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 93.23(8) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(3) -76.34(9) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(1) -167.82(9) ? 4_664 . 4_664 7_665
P(1) Ca(1) O(2) P(1) 172.21(5) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 31.28(4) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 33.81(11) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(1) -11.94(4) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(2) -105.18(7) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 178.48(6) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 87.00(5) ? 6_564 . 4_664 7_665
P(1) Ca(1) O(3) Ca(1) 138.21(3) ? 4_664 . . 8_565
P(1) Ca(1) O(3) P(1) -14.07(8) ? 4_664 . . .
P(1) Ca(1) O(3) Ca(3) -124.50(5) ? 4_664 . . 3_555
P(1) Ca(1) O(3) Ca(2) -121.08(13) ? 4_664 . . 3_555
O(3) Ca(1) P(1) Ca(3) -132.18(4) ? . . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) -129.65(11) ? . . 4_664 4_664
O(3) Ca(1) P(1) O(1) -175.40(4) ? . . 4_664 4_664
O(3) Ca(1) P(1) O(2) 91.36(7) ? . . 4_664 4_664
O(3) Ca(1) P(1) O(3) 15.03(6) ? . . 4_664 4_664
O(3) Ca(1) P(1) O(1) -76.46(5) ? . . 4_664 7_665
P(1) Ca(1) O(3) Ca(1) -127.61(4) ? 4_664 . 3_665 8_565
P(1) Ca(1) O(3) P(1) 80.11(14) ? 4_664 . 3_665 3_665
O(3) Ca(1) P(1) Ca(3) -55.94(5) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) -53.41(12) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -99.16(5) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) O(2) 167.60(8) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) O(3) 91.26(6) ? 3_665 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -0.22(6) ? 3_665 . 4_664 7_665
P(1) Ca(1) O(3) Ca(1) 29.78(14) ? 4_664 . 5_565 8_565
P(1) Ca(1) O(3) P(1) -122.51(11) ? 4_664 . 5_565 5_565
O(3) Ca(1) P(1) Ca(3) -122.73(12) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) -120.20(16) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -165.95(12) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) O(2) 100.81(13) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) O(3) 24.47(13) ? 5_565 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -67.01(13) ? 5_565 . 4_664 7_665
O(1) Ca(1) P(1) Ca(3) 157.46(3) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) 159.99(7) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) O(1) 114.24(6) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) O(2) 21.01(5) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) O(3) -55.33(9) ? 7_665 . 6_564 6_564
O(1) Ca(1) P(1) Ca(3) -55.73(5) ? 9_565 . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) -53.20(8) ? 9_565 . 6_564 6_564
O(1) Ca(1) P(1) O(1) -98.94(7) ? 9_565 . 6_564 6_564
O(1) Ca(1) P(1) O(2) 167.82(6) ? 9_565 . 6_564 6_564
O(1) Ca(1) P(1) O(3) 91.48(10) ? 9_565 . 6_564 6_564
P(1) Ca(1) O(1) Ca(3) 103.05(5) ? 6_564 . 11_555 2_554
P(1) Ca(1) O(1) Ca(2) 103.14(11) ? 6_564 . 11_555 2_554
P(1) Ca(1) O(1) P(1) 5.89(7) ? 6_564 . 11_555 2_554
O(1) Ca(1) P(1) Ca(3) 32.08(4) ? 11_555 . 6_564 6_564
O(1) Ca(1) P(1) Ca(2) 34.61(8) ? 11_555 . 6_564 6_564
O(1) Ca(1) P(1) O(1) -11.14(7) ? 11_555 . 6_564 6_564
O(1) Ca(1) P(1) O(2) -104.37(5) ? 11_555 . 6_564 6_564
O(1) Ca(1) P(1) O(3) 179.29(9) ? 11_555 . 6_564 6_564
P(1) Ca(1) O(2) P(1) 172.21(8) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 31.28(4) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 33.81(8) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(1) -11.94(7) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(2) -105.18(6) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(3) 178.48(10) ? 2_554 . 6_564 6_564
P(1) Ca(1) O(2) P(1) 81.55(6) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 102.12(4) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 104.65(7) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(1) 58.90(7) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(2) -34.33(5) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(3) -110.67(9) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 136.45(5) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 138.98(8) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) O(1) 93.23(7) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) O(3) -76.34(10) ? 6_564 . 6_564 6_564
P(1) Ca(1) O(3) Ca(1) 29.8(2) ? 6_564 . . 8_565
P(1) Ca(1) O(3) P(1) -122.50(13) ? 6_564 . . .
P(1) Ca(1) O(3) Ca(3) 127.06(16) ? 6_564 . . 3_555
P(1) Ca(1) O(3) Ca(2) 130.48(19) ? 6_564 . . 3_555
O(3) Ca(1) P(1) Ca(3) -122.74(18) ? . . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) -120.21(19) ? . . 6_564 6_564
O(3) Ca(1) P(1) O(1) -165.96(18) ? . . 6_564 6_564
O(3) Ca(1) P(1) O(2) 100.81(18) ? . . 6_564 6_564
O(3) Ca(1) P(1) O(3) 24.5(2) ? . . 6_564 6_564
P(1) Ca(1) O(3) Ca(1) 138.22(5) ? 6_564 . 3_665 8_565
P(1) Ca(1) O(3) P(1) -14.06(14) ? 6_564 . 3_665 3_665
O(3) Ca(1) P(1) Ca(3) -132.18(5) ? 3_665 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) -129.65(8) ? 3_665 . 6_564 6_564
O(3) Ca(1) P(1) O(1) -175.40(7) ? 3_665 . 6_564 6_564
O(3) Ca(1) P(1) O(2) 91.36(6) ? 3_665 . 6_564 6_564
O(3) Ca(1) P(1) O(3) 15.02(10) ? 3_665 . 6_564 6_564
P(1) Ca(1) O(3) Ca(1) -127.61(3) ? 6_564 . 5_565 8_565
P(1) Ca(1) O(3) P(1) 80.10(12) ? 6_564 . 5_565 5_565
O(3) Ca(1) P(1) Ca(3) -55.94(3) ? 5_565 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) -53.41(7) ? 5_565 . 6_564 6_564
O(3) Ca(1) P(1) O(1) -99.16(6) ? 5_565 . 6_564 6_564
O(3) Ca(1) P(1) O(2) 167.60(5) ? 5_565 . 6_564 6_564
O(3) Ca(1) P(1) O(3) 91.26(9) ? 5_565 . 6_564 6_564
O(1) Ca(1) O(1) Ca(3) -11.08(6) ? 7_665 . 11_555 2_554
O(1) Ca(1) O(1) Ca(2) -10.98(12) ? 7_665 . 11_555 2_554
O(1) Ca(1) O(1) P(1) -108.24(6) ? 7_665 . 11_555 2_554
O(1) Ca(1) O(2) P(1) 94.03(6) ? 7_665 . 2_554 2_554
O(1) Ca(1) O(2) P(1) -6.96(5) ? 7_665 . 4_664 4_664
O(1) Ca(1) O(2) P(1) -157.37(5) ? 7_665 . 6_564 6_564
O(1) Ca(1) O(3) Ca(1) 110.77(4) ? 7_665 . . 8_565
O(1) Ca(1) O(3) P(1) -41.51(9) ? 7_665 . . .
O(1) Ca(1) O(3) Ca(3) -151.95(5) ? 7_665 . . 3_555
O(1) Ca(1) O(3) Ca(2) -148.53(13) ? 7_665 . . 3_555
O(1) Ca(1) O(3) Ca(1) -127.72(6) ? 7_665 . 3_665 8_565
O(1) Ca(1) O(3) P(1) 80.00(13) ? 7_665 . 3_665 3_665
O(1) Ca(1) O(3) Ca(1) -18.50(9) ? 7_665 . 5_565 8_565
O(1) Ca(1) O(3) P(1) -170.78(8) ? 7_665 . 5_565 5_565
O(1) Ca(1) O(1) Ca(3) 134.95(5) ? 9_565 . 11_555 2_554
O(1) Ca(1) O(1) Ca(2) 135.04(11) ? 9_565 . 11_555 2_554
O(1) Ca(1) O(1) P(1) 37.78(7) ? 9_565 . 11_555 2_554
O(1) Ca(1) O(2) P(1) -157.37(7) ? 9_565 . 2_554 2_554
O(1) Ca(1) O(2) P(1) 94.03(7) ? 9_565 . 4_664 4_664
O(1) Ca(1) O(2) P(1) -6.96(3) ? 9_565 . 6_564 6_564
O(1) Ca(1) O(3) Ca(1) -18.50(8) ? 9_565 . . 8_565
O(1) Ca(1) O(3) P(1) -170.78(6) ? 9_565 . . .
O(1) Ca(1) O(3) Ca(3) 78.78(7) ? 9_565 . . 3_555
O(1) Ca(1) O(3) Ca(2) 82.20(13) ? 9_565 . . 3_555
O(1) Ca(1) O(3) Ca(1) 110.77(5) ? 9_565 . 3_665 8_565
O(1) Ca(1) O(3) P(1) -41.51(14) ? 9_565 . 3_665 3_665
O(1) Ca(1) O(3) Ca(1) -127.72(4) ? 9_565 . 5_565 8_565
O(1) Ca(1) O(3) P(1) 79.99(12) ? 9_565 . 5_565 5_565
O(1) Ca(1) O(2) P(1) -6.96(5) ? 11_555 . 2_554 2_554
O(2) Ca(1) O(1) Ca(3) 103.96(6) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(1) Ca(2) 104.05(12) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(1) P(1) 6.79(5) ? 2_554 . 11_555 2_554
O(1) Ca(1) O(2) P(1) -157.37(8) ? 11_555 . 4_664 4_664
O(2) Ca(1) O(1) Ca(3) 15.97(5) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(1) Ca(2) 16.06(11) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(1) P(1) -81.20(6) ? 4_664 . 11_555 2_554
O(1) Ca(1) O(2) P(1) 94.03(6) ? 11_555 . 6_564 6_564
O(2) Ca(1) O(1) Ca(3) 70.24(8) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(1) Ca(2) 70.33(13) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(1) P(1) -26.92(9) ? 6_564 . 11_555 2_554
O(1) Ca(1) O(3) Ca(1) -127.72(5) ? 11_555 . . 8_565
O(1) Ca(1) O(3) P(1) 79.99(8) ? 11_555 . . .
O(1) Ca(1) O(3) Ca(3) -30.44(5) ? 11_555 . . 3_555
O(1) Ca(1) O(3) Ca(2) -27.02(13) ? 11_555 . . 3_555
O(3) Ca(1) O(1) Ca(3) -83.06(6) ? . . 11_555 2_554
O(3) Ca(1) O(1) Ca(2) -82.97(12) ? . . 11_555 2_554
O(3) Ca(1) O(1) P(1) 179.77(8) ? . . 11_555 2_554
O(1) Ca(1) O(3) Ca(1) -18.51(13) ? 11_555 . 3_665 8_565
O(1) Ca(1) O(3) P(1) -170.79(9) ? 11_555 . 3_665 3_665
O(3) Ca(1) O(1) Ca(3) -104.76(9) ? 3_665 . 11_555 2_554
O(3) Ca(1) O(1) Ca(2) -104.66(14) ? 3_665 . 11_555 2_554
O(3) Ca(1) O(1) P(1) 158.08(8) ? 3_665 . 11_555 2_554
O(1) Ca(1) O(3) Ca(1) 110.77(4) ? 11_555 . 5_565 8_565
O(1) Ca(1) O(3) P(1) -41.51(12) ? 11_555 . 5_565 5_565
O(3) Ca(1) O(1) Ca(3) -160.75(6) ? 5_565 . 11_555 2_554
O(3) Ca(1) O(1) Ca(2) -160.66(12) ? 5_565 . 11_555 2_554
O(3) Ca(1) O(1) P(1) 102.08(7) ? 5_565 . 11_555 2_554
O(2) Ca(1) O(2) P(1) 145.01(7) ? 2_554 . 4_664 4_664
O(2) Ca(1) O(2) P(1) 66.06(7) ? 4_664 . 2_554 2_554
O(2) Ca(1) O(2) P(1) 66.06(6) ? 2_554 . 6_564 6_564
O(2) Ca(1) O(2) P(1) 145.01(8) ? 6_564 . 2_554 2_554
O(2) Ca(1) O(3) Ca(1) -120.68(5) ? 2_554 . . 8_565
O(2) Ca(1) O(3) P(1) 87.04(11) ? 2_554 . . .
O(2) Ca(1) O(3) Ca(3) -23.40(8) ? 2_554 . . 3_555
O(2) Ca(1) O(3) Ca(2) -19.97(14) ? 2_554 . . 3_555
O(3) Ca(1) O(2) P(1) -15.05(10) ? . . 2_554 2_554
O(2) Ca(1) O(3) Ca(1) 104.27(7) ? 2_554 . 3_665 8_565
O(2) Ca(1) O(3) P(1) -48.01(18) ? 2_554 . 3_665 3_665
O(3) Ca(1) O(2) P(1) -150.42(7) ? 3_665 . 2_554 2_554
O(2) Ca(1) O(3) Ca(1) 165.61(5) ? 2_554 . 5_565 8_565
O(2) Ca(1) O(3) P(1) 13.32(12) ? 2_554 . 5_565 5_565
O(3) Ca(1) O(2) P(1) -88.87(7) ? 5_565 . 2_554 2_554
O(2) Ca(1) O(2) P(1) 145.01(5) ? 4_664 . 6_564 6_564
O(2) Ca(1) O(2) P(1) 66.06(7) ? 6_564 . 4_664 4_664
O(2) Ca(1) O(3) Ca(1) 165.61(4) ? 4_664 . . 8_565
O(2) Ca(1) O(3) P(1) 13.33(9) ? 4_664 . . .
O(2) Ca(1) O(3) Ca(3) -97.11(6) ? 4_664 . . 3_555
O(2) Ca(1) O(3) Ca(2) -93.69(13) ? 4_664 . . 3_555
O(3) Ca(1) O(2) P(1) -88.87(7) ? . . 4_664 4_664
O(2) Ca(1) O(3) Ca(1) -120.67(5) ? 4_664 . 3_665 8_565
O(2) Ca(1) O(3) P(1) 87.05(16) ? 4_664 . 3_665 3_665
O(3) Ca(1) O(2) P(1) -15.05(9) ? 3_665 . 4_664 4_664
O(2) Ca(1) O(3) Ca(1) 104.26(9) ? 4_664 . 5_565 8_565
O(2) Ca(1) O(3) P(1) -48.02(19) ? 4_664 . 5_565 5_565
O(3) Ca(1) O(2) P(1) -150.41(8) ? 5_565 . 4_664 4_664
O(2) Ca(1) O(3) Ca(1) 104.27(9) ? 6_564 . . 8_565
O(2) Ca(1) O(3) P(1) -48.01(13) ? 6_564 . . .
O(2) Ca(1) O(3) Ca(3) -158.45(8) ? 6_564 . . 3_555
O(2) Ca(1) O(3) Ca(2) -155.03(14) ? 6_564 . . 3_555
O(3) Ca(1) O(2) P(1) -150.42(7) ? . . 6_564 6_564
O(2) Ca(1) O(3) Ca(1) 165.61(6) ? 6_564 . 3_665 8_565
O(2) Ca(1) O(3) P(1) 13.33(15) ? 6_564 . 3_665 3_665
O(3) Ca(1) O(2) P(1) -88.87(6) ? 3_665 . 6_564 6_564
O(2) Ca(1) O(3) Ca(1) -120.67(4) ? 6_564 . 5_565 8_565
O(2) Ca(1) O(3) P(1) 87.04(12) ? 6_564 . 5_565 5_565
O(3) Ca(1) O(2) P(1) -15.05(6) ? 5_565 . 6_564 6_564
O(3) Ca(1) O(3) Ca(1) -39.50(5) ? . . 3_665 8_565
O(3) Ca(1) O(3) P(1) 168.22(15) ? . . 3_665 3_665
O(3) Ca(1) O(3) Ca(1) 39.50(5) ? 3_665 . . 8_565
O(3) Ca(1) O(3) P(1) -112.78(10) ? 3_665 . . .
O(3) Ca(1) O(3) Ca(3) 136.78(7) ? 3_665 . . 3_555
O(3) Ca(1) O(3) Ca(2) 140.20(14) ? 3_665 . . 3_555
O(3) Ca(1) O(3) Ca(1) 39.50(3) ? . . 5_565 8_565
O(3) Ca(1) O(3) P(1) -112.78(12) ? . . 5_565 5_565
O(3) Ca(1) O(3) Ca(1) -39.50(4) ? 5_565 . . 8_565
O(3) Ca(1) O(3) P(1) 168.22(9) ? 5_565 . . .
O(3) Ca(1) O(3) Ca(3) 57.78(5) ? 5_565 . . 3_555
O(3) Ca(1) O(3) Ca(2) 61.20(13) ? 5_565 . . 3_555
O(3) Ca(1) O(3) Ca(1) -39.50(4) ? 3_665 . 5_565 8_565
O(3) Ca(1) O(3) P(1) 168.22(13) ? 3_665 . 5_565 5_565
O(3) Ca(1) O(3) Ca(1) 39.50(5) ? 5_565 . 3_665 8_565
O(3) Ca(1) O(3) P(1) -112.78(15) ? 5_565 . 3_665 3_665
Ca(2) Ca(3) Cl(1) Ca(3) -43.2(16) ? . . . 3_555
Ca(2) Ca(3) Cl(1) Ca(3) 63.1(16) ? . . . 5_555
Ca(2) Ca(3) Cl(1) F(1) 10.0(15) ? . . . .
Ca(2) Ca(3) Cl(1) Ca(2) -40.9(16) ? . . . 3_555
Ca(2) Ca(3) Cl(1) Ca(2) 61.4(16) ? . . . 5_555
Ca(2) Ca(3) Cl(1) Ca(2) -131.5(16) ? . . . 2_555
Ca(2) Ca(3) Cl(1) Ca(2) -171.1(15) ? . . . 4_555
Ca(2) Ca(3) Cl(1) Ca(2) 151.9(16) ? . . . 6_555
Ca(2) Ca(3) Cl(1) Cl(1) -170.0(15) ? . . . 7_556
Cl(1) Ca(3) Ca(2) Ca(3) 157.7(16) ? . . . 2_554
Cl(1) Ca(3) Ca(2) Ca(3) -24.6(12) ? . . . 6_555
Cl(1) Ca(3) Ca(2) Ca(3) -81.0(14) ? . . . 5_555
Cl(1) Ca(3) Ca(2) P(1) 99.0(14) ? . . . .
Cl(1) Ca(3) Ca(2) F(1) -81.0(14) ? . . . .
Cl(1) Ca(3) Ca(2) O(1) 128.5(15) ? . . . .
Cl(1) Ca(3) Ca(2) Cl(1) -166(2) ? . . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 4.0(6) ? . . . 7_556
Cl(1) Ca(3) Ca(2) Cl(1) -162(2) ? . . . 8_555
Cl(1) Ca(3) Ca(2) O(1) -8.0(15) ? . . . 6_555
Cl(1) Ca(3) Ca(2) O(1) -154.0(12) ? . . . 9_555
Cl(1) Ca(3) Ca(2) O(1) 69.5(13) ? . . . 10_555
Cl(1) Ca(3) Ca(2) O(2) 99.0(14) ? . . . 3_655
Cl(1) Ca(3) Ca(2) O(3) -81.0(14) ? . . . 5_555
Ca(2) Ca(3) Cl(1) Ca(3) 43.2(16) ? . . 8_555 3_555
Ca(2) Ca(3) Cl(1) Ca(3) -63.1(16) ? . . 8_555 5_555
Ca(2) Ca(3) Cl(1) Ca(2) 40.9(16) ? . . 8_555 3_555
Ca(2) Ca(3) Cl(1) Ca(2) -61.4(16) ? . . 8_555 5_555
Ca(2) Ca(3) Cl(1) F(1) -10.0(15) ? . . 8_555 .
Cl(1) Ca(3) Ca(2) Ca(3) -40.3(12) ? 8_555 . . 2_554
Cl(1) Ca(3) Ca(2) Ca(3) 137.4(15) ? 8_555 . . 6_555
Cl(1) Ca(3) Ca(2) Ca(3) 81.0(14) ? 8_555 . . 5_555
Cl(1) Ca(3) Ca(2) Cl(1) 162(2) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) P(1) -99.0(14) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) F(1) 81.0(14) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) O(1) -69.5(13) ? 8_555 . . .
Cl(1) Ca(3) Ca(2) Cl(1) -4.0(6) ? 8_555 . . 2_554
Cl(1) Ca(3) Ca(2) Cl(1) 166(2) ? 8_555 . . 7_556
Cl(1) Ca(3) Ca(2) O(1) 154.0(12) ? 8_555 . . 6_555
Cl(1) Ca(3) Ca(2) O(1) 8.0(15) ? 8_555 . . 9_555
Cl(1) Ca(3) Ca(2) O(1) -128.5(15) ? 8_555 . . 10_555
Cl(1) Ca(3) Ca(2) O(2) -99.0(14) ? 8_555 . . 3_655
Cl(1) Ca(3) Ca(2) O(3) 81.0(14) ? 8_555 . . 5_555
Ca(2) Ca(3) P(1) Ca(1) 146.831(11) ? . . . 2_655
Ca(2) Ca(3) P(1) Ca(1) -146.832(11) ? . . . 7_665
Ca(2) Ca(3) P(1) O(1) -84.79(8) ? . . . .
Ca(2) Ca(3) P(1) O(1) 84.79(8) ? . . . 10_555
P(1) Ca(3) Ca(2) Ca(3) 58.7(2) ? . . . 2_554
P(1) Ca(3) Ca(2) Ca(3) -123.59(15) ? . . . 6_555
P(1) Ca(3) Ca(2) Cl(1) -99.0(14) ? . . . .
P(1) Ca(3) Ca(2) O(1) 29.48(8) ? . . . .
P(1) Ca(3) Ca(2) Cl(1) 94.9(8) ? . . . 2_554
P(1) Ca(3) Ca(2) Cl(1) -94.9(8) ? . . . 7_556
P(1) Ca(3) Ca(2) Cl(1) 99.0(14) ? . . . 8_555
P(1) Ca(3) Ca(2) O(1) -107.02(16) ? . . . 6_555
P(1) Ca(3) Ca(2) O(1) 107.02(16) ? . . . 9_555
P(1) Ca(3) Ca(2) O(1) -29.48(8) ? . . . 10_555
Ca(2) Ca(3) P(1) Ca(1) 33.685(8) ? . . 3_655 2_655
Ca(2) Ca(3) P(1) Ca(1) -33.685(8) ? . . 3_655 7_665
Ca(2) Ca(3) P(1) O(1) -72.43(5) ? . . 3_655 3_655
P(1) Ca(3) Ca(2) Ca(3) 58.7(2) ? 3_655 . . 2_554
P(1) Ca(3) Ca(2) Ca(3) -123.59(15) ? 3_655 . . 6_555
P(1) Ca(3) Ca(2) Cl(1) -99.0(14) ? 3_655 . . .
P(1) Ca(3) Ca(2) O(1) 29.48(8) ? 3_655 . . .
P(1) Ca(3) Ca(2) Cl(1) 94.9(8) ? 3_655 . . 2_554
P(1) Ca(3) Ca(2) Cl(1) -94.9(8) ? 3_655 . . 7_556
P(1) Ca(3) Ca(2) Cl(1) 99.0(14) ? 3_655 . . 8_555
P(1) Ca(3) Ca(2) O(1) -107.02(16) ? 3_655 . . 6_555
P(1) Ca(3) Ca(2) O(1) 107.02(16) ? 3_655 . . 9_555
P(1) Ca(3) Ca(2) O(1) -29.48(8) ? 3_655 . . 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) -121.3(2) ? . . . 2_554
F(1) Ca(3) Ca(2) Ca(3) 56.41(15) ? . . . 6_555
F(1) Ca(3) Ca(2) Cl(1) 81.0(14) ? . . . .
F(1) Ca(3) Ca(2) O(1) -150.52(8) ? . . . .
F(1) Ca(3) Ca(2) Cl(1) -85.1(8) ? . . . 2_554
F(1) Ca(3) Ca(2) Cl(1) 85.1(8) ? . . . 7_556
F(1) Ca(3) Ca(2) Cl(1) -81.0(14) ? . . . 8_555
F(1) Ca(3) Ca(2) O(1) 72.98(16) ? . . . 6_555
F(1) Ca(3) Ca(2) O(1) -72.98(16) ? . . . 9_555
F(1) Ca(3) Ca(2) O(1) 150.52(8) ? . . . 10_555
Ca(2) Ca(3) O(1) Ca(1) -179.1(3) ? . . . 7_665
Ca(2) Ca(3) O(1) P(1) 88.5(3) ? . . . .
Ca(2) Ca(3) O(1) Ca(3) -73.4(3) ? . . . 2_554
Ca(2) Ca(3) O(1) Ca(2) -70.0(4) ? . . . 2_554
O(1) Ca(3) Ca(2) Ca(3) 29.22(13) ? . . . 2_554
O(1) Ca(3) Ca(2) Ca(3) -153.1(2) ? . . . 6_555
O(1) Ca(3) Ca(2) Ca(3) 150.52(8) ? . . . 5_555
O(1) Ca(3) Ca(2) Cl(1) -128.5(15) ? . . . .
O(1) Ca(3) Ca(2) P(1) -29.48(8) ? . . . .
O(1) Ca(3) Ca(2) F(1) 150.52(8) ? . . . .
O(1) Ca(3) Ca(2) Cl(1) 65.5(7) ? . . . 2_554
O(1) Ca(3) Ca(2) Cl(1) -124.4(8) ? . . . 7_556
O(1) Ca(3) Ca(2) Cl(1) 69.5(13) ? . . . 8_555
O(1) Ca(3) Ca(2) O(1) -136.50(9) ? . . . 6_555
O(1) Ca(3) Ca(2) O(1) 77.5(2) ? . . . 9_555
O(1) Ca(3) Ca(2) O(1) -58.95(16) ? . . . 10_555
O(1) Ca(3) Ca(2) O(2) -29.48(8) ? . . . 3_655
O(1) Ca(3) Ca(2) O(3) 150.52(8) ? . . . 5_555
Ca(2) Ca(3) O(1) Ca(3) 31.5(7) ? . . 6_555 6_555
Ca(2) Ca(3) O(1) Ca(2) 25.5(7) ? . . 6_555 6_555
Ca(2) Ca(3) O(1) P(1) -120.2(7) ? . . 6_555 6_555
O(1) Ca(3) Ca(2) Ca(3) 165.72(7) ? 6_555 . . 2_554
O(1) Ca(3) Ca(2) Ca(3) -16.6(3) ? 6_555 . . 6_555
O(1) Ca(3) Ca(2) Ca(3) -72.98(16) ? 6_555 . . 5_555
O(1) Ca(3) Ca(2) Cl(1) 8.0(15) ? 6_555 . . .
O(1) Ca(3) Ca(2) P(1) 107.02(16) ? 6_555 . . .
O(1) Ca(3) Ca(2) F(1) -72.98(16) ? 6_555 . . .
O(1) Ca(3) Ca(2) O(1) 136.50(9) ? 6_555 . . .
O(1) Ca(3) Ca(2) Cl(1) -158.0(6) ? 6_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) 12.1(9) ? 6_555 . . 7_556
O(1) Ca(3) Ca(2) Cl(1) -154.0(12) ? 6_555 . . 8_555
O(1) Ca(3) Ca(2) O(1) -146.0(3) ? 6_555 . . 9_555
O(1) Ca(3) Ca(2) O(1) 77.5(2) ? 6_555 . . 10_555
O(1) Ca(3) Ca(2) O(2) 107.02(16) ? 6_555 . . 3_655
O(1) Ca(3) Ca(2) O(3) -72.98(16) ? 6_555 . . 5_555
O(1) Ca(3) Ca(2) Ca(3) -48.3(3) ? 9_555 . . 2_554
O(1) Ca(3) Ca(2) Ca(3) 129.39(4) ? 9_555 . . 6_555
O(1) Ca(3) Ca(2) Ca(3) 72.98(16) ? 9_555 . . 5_555
O(1) Ca(3) Ca(2) Cl(1) 154.0(12) ? 9_555 . . .
O(1) Ca(3) Ca(2) P(1) -107.02(16) ? 9_555 . . .
O(1) Ca(3) Ca(2) F(1) 72.98(16) ? 9_555 . . .
O(1) Ca(3) Ca(2) O(1) -77.5(2) ? 9_555 . . .
O(1) Ca(3) Ca(2) Cl(1) -12.1(9) ? 9_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) 158.0(6) ? 9_555 . . 7_556
O(1) Ca(3) Ca(2) Cl(1) -8.0(15) ? 9_555 . . 8_555
O(1) Ca(3) Ca(2) O(1) 146.0(3) ? 9_555 . . 6_555
O(1) Ca(3) Ca(2) O(1) -136.50(9) ? 9_555 . . 10_555
O(1) Ca(3) Ca(2) O(2) -107.02(16) ? 9_555 . . 3_655
O(1) Ca(3) Ca(2) O(3) 72.98(16) ? 9_555 . . 5_555
Ca(2) Ca(3) O(1) P(1) -88.5(3) ? . . 10_555 .
O(1) Ca(3) Ca(2) Ca(3) 88.2(2) ? 10_555 . . 2_554
O(1) Ca(3) Ca(2) Ca(3) -94.11(7) ? 10_555 . . 6_555
O(1) Ca(3) Ca(2) Ca(3) -150.52(8) ? 10_555 . . 5_555
O(1) Ca(3) Ca(2) Cl(1) -69.5(13) ? 10_555 . . .
O(1) Ca(3) Ca(2) P(1) 29.48(8) ? 10_555 . . .
O(1) Ca(3) Ca(2) F(1) -150.52(8) ? 10_555 . . .
O(1) Ca(3) Ca(2) O(1) 58.95(16) ? 10_555 . . .
O(1) Ca(3) Ca(2) Cl(1) 124.4(8) ? 10_555 . . 2_554
O(1) Ca(3) Ca(2) Cl(1) -65.5(7) ? 10_555 . . 7_556
O(1) Ca(3) Ca(2) Cl(1) 128.5(15) ? 10_555 . . 8_555
O(1) Ca(3) Ca(2) O(1) -77.5(2) ? 10_555 . . 6_555
O(1) Ca(3) Ca(2) O(1) 136.50(9) ? 10_555 . . 9_555
O(1) Ca(3) Ca(2) O(2) 29.48(8) ? 10_555 . . 3_655
O(1) Ca(3) Ca(2) O(3) -150.52(8) ? 10_555 . . 5_555
Ca(2) Ca(3) O(2) Ca(1) 50.52(5) ? . . 3_655 2_655
Ca(2) Ca(3) O(2) Ca(1) -50.52(5) ? . . 3_655 7_665
O(2) Ca(3) Ca(2) Ca(3) 58.7(2) ? 3_655 . . 2_554
O(2) Ca(3) Ca(2) Ca(3) -123.59(15) ? 3_655 . . 6_555
O(2) Ca(3) Ca(2) Cl(1) -99.0(14) ? 3_655 . . .
O(2) Ca(3) Ca(2) O(1) 29.48(8) ? 3_655 . . .
O(2) Ca(3) Ca(2) Cl(1) 94.9(8) ? 3_655 . . 2_554
O(2) Ca(3) Ca(2) Cl(1) -94.9(8) ? 3_655 . . 7_556
O(2) Ca(3) Ca(2) Cl(1) 99.0(14) ? 3_655 . . 8_555
O(2) Ca(3) Ca(2) O(1) -107.02(16) ? 3_655 . . 6_555
O(2) Ca(3) Ca(2) O(1) 107.02(16) ? 3_655 . . 9_555
O(2) Ca(3) Ca(2) O(1) -29.48(8) ? 3_655 . . 10_555
O(3) Ca(3) Ca(2) Ca(3) -121.3(2) ? 5_555 . . 2_554
O(3) Ca(3) Ca(2) Ca(3) 56.41(15) ? 5_555 . . 6_555
O(3) Ca(3) Ca(2) Cl(1) 81.0(14) ? 5_555 . . .
O(3) Ca(3) Ca(2) O(1) -150.52(8) ? 5_555 . . .
O(3) Ca(3) Ca(2) Cl(1) -85.1(8) ? 5_555 . . 2_554
O(3) Ca(3) Ca(2) Cl(1) 85.1(8) ? 5_555 . . 7_556
O(3) Ca(3) Ca(2) Cl(1) -81.0(14) ? 5_555 . . 8_555
O(3) Ca(3) Ca(2) O(1) 72.98(16) ? 5_555 . . 6_555
O(3) Ca(3) Ca(2) O(1) -72.98(16) ? 5_555 . . 9_555
O(3) Ca(3) Ca(2) O(1) 150.52(8) ? 5_555 . . 10_555
Cl(1) Ca(3) Cl(1) Ca(3) 53.15(5) ? . . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -53.15(5) ? . . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 10.0(15) ? . . 8_555 .
Cl(1) Ca(3) Cl(1) Ca(2) 50.89(10) ? . . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -51.42(11) ? . . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(3) -53.15(5) ? 8_555 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 53.15(5) ? 8_555 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) -10.0(15) ? 8_555 . . .
Cl(1) Ca(3) Cl(1) Ca(2) -50.89(10) ? 8_555 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(2) 51.42(11) ? 8_555 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) -141.46(7) ? 8_555 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(2) 178.91(17) ? 8_555 . . 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 141.89(7) ? 8_555 . . 6_555
Cl(1) Ca(3) P(1) Ca(1) 120.97(4) ? . . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -172.69(5) ? . . . 7_665
Cl(1) Ca(3) P(1) Ca(2) -25.86(5) ? . . . .
Cl(1) Ca(3) P(1) O(1) -110.65(11) ? . . . .
Cl(1) Ca(3) P(1) O(2) 154.14(5) ? . . . .
Cl(1) Ca(3) P(1) O(3) -25.86(5) ? . . . .
Cl(1) Ca(3) P(1) Ca(3) 154.14(5) ? . . . 5_665
Cl(1) Ca(3) P(1) O(1) 58.94(8) ? . . . 10_555
P(1) Ca(3) Cl(1) Ca(3) 33.39(5) ? . . . 3_555
P(1) Ca(3) Cl(1) Ca(3) 139.69(6) ? . . . 5_555
P(1) Ca(3) Cl(1) Ca(2) 76.6(15) ? . . . .
P(1) Ca(3) Cl(1) F(1) 86.54(3) ? . . . .
P(1) Ca(3) Cl(1) Ca(2) 35.64(10) ? . . . 3_555
P(1) Ca(3) Cl(1) Ca(2) 137.96(11) ? . . . 5_555
P(1) Ca(3) Cl(1) Ca(2) -54.92(8) ? . . . 2_555
P(1) Ca(3) Cl(1) Ca(2) -94.55(18) ? . . . 4_555
P(1) Ca(3) Cl(1) Ca(2) -131.57(7) ? . . . 6_555
P(1) Ca(3) Cl(1) Cl(1) -93.46(3) ? . . . 7_556
Cl(1) Ca(3) P(1) Ca(1) -46.14(9) ? . . 3_655 2_655
Cl(1) Ca(3) P(1) Ca(1) -113.51(10) ? . . 3_655 7_665
Cl(1) Ca(3) P(1) Ca(3) -79.82(9) ? . . 3_655 3_655
Cl(1) Ca(3) P(1) Ca(2) -79.82(9) ? . . 3_655 3_655
Cl(1) Ca(3) P(1) O(1) -152.25(9) ? . . 3_655 3_655
Cl(1) Ca(3) P(1) O(2) -79.82(9) ? . . 3_655 3_655
Cl(1) Ca(3) P(1) O(3) 100.18(9) ? . . 3_655 3_655
P(1) Ca(3) Cl(1) Ca(3) 115.55(11) ? 3_655 . . 3_555
P(1) Ca(3) Cl(1) Ca(3) -138.16(9) ? 3_655 . . 5_555
P(1) Ca(3) Cl(1) Ca(2) 158.7(16) ? 3_655 . . .
P(1) Ca(3) Cl(1) F(1) 168.70(10) ? 3_655 . . .
P(1) Ca(3) Cl(1) Ca(2) 117.80(14) ? 3_655 . . 3_555
P(1) Ca(3) Cl(1) Ca(2) -139.88(14) ? 3_655 . . 5_555
P(1) Ca(3) Cl(1) Ca(2) 27.24(12) ? 3_655 . . 2_555
P(1) Ca(3) Cl(1) Ca(2) -12.4(2) ? 3_655 . . 4_555
P(1) Ca(3) Cl(1) Ca(2) -49.41(11) ? 3_655 . . 6_555
P(1) Ca(3) Cl(1) Cl(1) -11.30(10) ? 3_655 . . 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) -53.15(5) ? . . . 3_555
F(1) Ca(3) Cl(1) Ca(3) 53.15(5) ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(2) -10.0(15) ? . . . .
F(1) Ca(3) Cl(1) Ca(2) -50.89(10) ? . . . 3_555
F(1) Ca(3) Cl(1) Ca(2) 51.42(11) ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(2) -141.46(7) ? . . . 2_555
F(1) Ca(3) Cl(1) Ca(2) 178.91(17) ? . . . 4_555
F(1) Ca(3) Cl(1) Ca(2) 141.89(7) ? . . . 6_555
Cl(1) Ca(3) O(1) Ca(1) 160.84(5) ? . . . 7_665
Cl(1) Ca(3) O(1) Ca(2) -20.1(3) ? . . . .
Cl(1) Ca(3) O(1) P(1) 68.44(8) ? . . . .
Cl(1) Ca(3) O(1) Ca(3) -93.52(12) ? . . . 2_554
Cl(1) Ca(3) O(1) Ca(2) -90.1(2) ? . . . 2_554
O(1) Ca(3) Cl(1) Ca(3) 6.60(7) ? . . . 3_555
O(1) Ca(3) Cl(1) Ca(3) 112.89(6) ? . . . 5_555
O(1) Ca(3) Cl(1) Ca(2) 49.8(15) ? . . . .
O(1) Ca(3) Cl(1) F(1) 59.74(4) ? . . . .
O(1) Ca(3) Cl(1) Ca(2) 8.85(11) ? . . . 3_555
O(1) Ca(3) Cl(1) Ca(2) 111.17(11) ? . . . 5_555
O(1) Ca(3) Cl(1) Ca(2) -81.71(8) ? . . . 2_555
O(1) Ca(3) Cl(1) Ca(2) -121.34(18) ? . . . 4_555
O(1) Ca(3) Cl(1) Ca(2) -158.36(8) ? . . . 6_555
O(1) Ca(3) Cl(1) Cl(1) -120.26(4) ? . . . 7_556
Cl(1) Ca(3) O(1) Ca(3) 35.13(8) ? . . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) 29.07(14) ? . . 6_555 6_555
Cl(1) Ca(3) O(1) P(1) -116.54(17) ? . . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) 3.6(7) ? . . 6_555 .
O(1) Ca(3) Cl(1) Ca(3) 144.90(6) ? 6_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(3) -108.81(6) ? 6_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) -171.9(16) ? 6_555 . . .
O(1) Ca(3) Cl(1) F(1) -161.95(3) ? 6_555 . . .
O(1) Ca(3) Cl(1) Ca(2) 147.15(10) ? 6_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(2) -110.53(11) ? 6_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) 56.59(8) ? 6_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(2) 16.96(19) ? 6_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(2) -20.06(7) ? 6_555 . . 6_555
O(1) Ca(3) Cl(1) Cl(1) 18.05(3) ? 6_555 . . 7_556
Cl(1) Ca(3) O(1) Ca(2) 13.6(6) ? . . 9_555 .
O(1) Ca(3) Cl(1) Ca(3) -74.81(7) ? 9_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(3) 31.49(9) ? 9_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) -31.6(15) ? 9_555 . . .
O(1) Ca(3) Cl(1) F(1) -21.66(5) ? 9_555 . . .
O(1) Ca(3) Cl(1) Ca(2) -72.55(11) ? 9_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(2) 29.76(13) ? 9_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) -163.12(10) ? 9_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(2) 157.25(17) ? 9_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(2) 120.23(9) ? 9_555 . . 6_555
O(1) Ca(3) Cl(1) Cl(1) 158.34(5) ? 9_555 . . 7_556
Cl(1) Ca(3) O(1) Ca(2) -26.0(3) ? . . 10_555 .
Cl(1) Ca(3) O(1) P(1) -114.59(8) ? . . 10_555 .
O(1) Ca(3) Cl(1) Ca(3) 59.54(5) ? 10_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(3) 165.84(7) ? 10_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) 102.7(16) ? 10_555 . . .
O(1) Ca(3) Cl(1) F(1) 112.69(4) ? 10_555 . . .
O(1) Ca(3) Cl(1) Ca(2) 61.80(10) ? 10_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(2) 164.11(12) ? 10_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) -28.77(8) ? 10_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(2) -68.40(18) ? 10_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(2) -105.42(8) ? 10_555 . . 6_555
O(1) Ca(3) Cl(1) Cl(1) -67.31(4) ? 10_555 . . 7_556
Cl(1) Ca(3) O(2) Ca(1) 4.54(17) ? . . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -96.51(10) ? . . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) 134.02(12) ? . . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) -45.98(12) ? . . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) 76.43(15) ? 3_655 . . 3_555
O(2) Ca(3) Cl(1) Ca(3) -177.28(12) ? 3_655 . . 5_555
O(2) Ca(3) Cl(1) Ca(2) 119.6(16) ? 3_655 . . .
O(2) Ca(3) Cl(1) F(1) 129.58(13) ? 3_655 . . .
O(2) Ca(3) Cl(1) Ca(2) 78.68(17) ? 3_655 . . 3_555
O(2) Ca(3) Cl(1) Ca(2) -179.00(15) ? 3_655 . . 5_555
O(2) Ca(3) Cl(1) Ca(2) -11.88(15) ? 3_655 . . 2_555
O(2) Ca(3) Cl(1) Ca(2) -51.5(2) ? 3_655 . . 4_555
O(2) Ca(3) Cl(1) Ca(2) -88.53(14) ? 3_655 . . 6_555
O(2) Ca(3) Cl(1) Cl(1) -50.42(13) ? 3_655 . . 7_556
Cl(1) Ca(3) O(3) P(1) 26.11(6) ? . . 5_555 5_555
Cl(1) Ca(3) O(3) Ca(2) 26.11(6) ? . . 5_555 .
O(3) Ca(3) Cl(1) Ca(3) -148.24(6) ? 5_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(3) -41.95(7) ? 5_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) -105.1(16) ? 5_555 . . .
O(3) Ca(3) Cl(1) F(1) -95.10(4) ? 5_555 . . .
O(3) Ca(3) Cl(1) Ca(2) -145.99(10) ? 5_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(2) -43.67(12) ? 5_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) 123.45(8) ? 5_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(2) 83.82(18) ? 5_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(2) 46.79(8) ? 5_555 . . 6_555
O(3) Ca(3) Cl(1) Cl(1) 84.90(4) ? 5_555 . . 7_556
Cl(1) Ca(3) P(1) Ca(1) 172.69(5) ? 8_555 . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -120.97(4) ? 8_555 . . 7_665
Cl(1) Ca(3) P(1) Ca(2) 25.86(5) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(1) -58.94(8) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(2) -154.14(5) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(3) 25.86(5) ? 8_555 . . .
Cl(1) Ca(3) P(1) Ca(3) -154.14(5) ? 8_555 . . 5_665
Cl(1) Ca(3) P(1) O(1) 110.65(11) ? 8_555 . . 10_555
P(1) Ca(3) Cl(1) Ca(3) -33.39(5) ? . . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(3) -139.69(6) ? . . 8_555 5_555
P(1) Ca(3) Cl(1) Ca(2) -76.6(15) ? . . 8_555 .
P(1) Ca(3) Cl(1) Ca(2) -35.64(10) ? . . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(2) -137.96(11) ? . . 8_555 5_555
P(1) Ca(3) Cl(1) F(1) -86.54(3) ? . . 8_555 .
Cl(1) Ca(3) P(1) Ca(1) 113.51(10) ? 8_555 . 3_655 2_655
Cl(1) Ca(3) P(1) Ca(1) 46.14(9) ? 8_555 . 3_655 7_665
Cl(1) Ca(3) P(1) Ca(3) 79.82(9) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) P(1) Ca(2) 79.82(9) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) P(1) O(1) 7.39(12) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) P(1) O(2) 79.82(9) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) P(1) O(3) -100.18(9) ? 8_555 . 3_655 3_655
P(1) Ca(3) Cl(1) Ca(3) -115.55(11) ? 3_655 . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(3) 138.16(9) ? 3_655 . 8_555 5_555
P(1) Ca(3) Cl(1) Ca(2) -158.7(16) ? 3_655 . 8_555 .
P(1) Ca(3) Cl(1) Ca(2) -117.80(14) ? 3_655 . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(2) 139.88(14) ? 3_655 . 8_555 5_555
P(1) Ca(3) Cl(1) F(1) -168.70(10) ? 3_655 . 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) 53.15(5) ? . . 8_555 3_555
F(1) Ca(3) Cl(1) Ca(3) -53.15(5) ? . . 8_555 5_555
F(1) Ca(3) Cl(1) Ca(2) 10.0(15) ? . . 8_555 .
F(1) Ca(3) Cl(1) Ca(2) 50.89(10) ? . . 8_555 3_555
F(1) Ca(3) Cl(1) Ca(2) -51.42(11) ? . . 8_555 5_555
Cl(1) Ca(3) O(1) Ca(1) -153.01(5) ? 8_555 . . 7_665
Cl(1) Ca(3) O(1) Ca(2) 26.0(3) ? 8_555 . . .
Cl(1) Ca(3) O(1) P(1) 114.59(8) ? 8_555 . . .
Cl(1) Ca(3) O(1) Ca(3) -47.37(14) ? 8_555 . . 2_554
Cl(1) Ca(3) O(1) Ca(2) -44.0(2) ? 8_555 . . 2_554
O(1) Ca(3) Cl(1) Ca(3) -59.54(5) ? . . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) -165.84(7) ? . . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) -102.7(16) ? . . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) -61.80(10) ? . . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) -164.11(12) ? . . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) -112.69(4) ? . . 8_555 .
Cl(1) Ca(3) O(1) Ca(3) 17.91(12) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) 11.85(16) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(1) P(1) -133.76(14) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(1) Ca(2) -13.6(6) ? 8_555 . 6_555 .
O(1) Ca(3) Cl(1) Ca(3) 74.81(7) ? 6_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) -31.49(9) ? 6_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) 31.6(15) ? 6_555 . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) 72.55(11) ? 6_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) -29.76(13) ? 6_555 . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) 21.66(5) ? 6_555 . 8_555 .
Cl(1) Ca(3) O(1) Ca(2) -3.6(7) ? 8_555 . 9_555 .
O(1) Ca(3) Cl(1) Ca(3) -144.90(6) ? 9_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) 108.81(6) ? 9_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) 171.9(16) ? 9_555 . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) -147.15(10) ? 9_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) 110.53(11) ? 9_555 . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) 161.95(3) ? 9_555 . 8_555 .
Cl(1) Ca(3) O(1) Ca(2) 20.1(3) ? 8_555 . 10_555 .
Cl(1) Ca(3) O(1) P(1) -68.44(8) ? 8_555 . 10_555 .
O(1) Ca(3) Cl(1) Ca(3) -6.60(7) ? 10_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) -112.89(6) ? 10_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(2) -49.8(15) ? 10_555 . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) -8.85(11) ? 10_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) -111.17(11) ? 10_555 . 8_555 5_555
O(1) Ca(3) Cl(1) F(1) -59.74(4) ? 10_555 . 8_555 .
Cl(1) Ca(3) O(2) Ca(1) 96.51(10) ? 8_555 . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -4.54(17) ? 8_555 . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) -134.02(12) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) 45.98(12) ? 8_555 . 3_655 .
O(2) Ca(3) Cl(1) Ca(3) -76.43(15) ? 3_655 . 8_555 3_555
O(2) Ca(3) Cl(1) Ca(3) 177.28(12) ? 3_655 . 8_555 5_555
O(2) Ca(3) Cl(1) Ca(2) -119.6(16) ? 3_655 . 8_555 .
O(2) Ca(3) Cl(1) Ca(2) -78.68(17) ? 3_655 . 8_555 3_555
O(2) Ca(3) Cl(1) Ca(2) 179.00(15) ? 3_655 . 8_555 5_555
O(2) Ca(3) Cl(1) F(1) -129.58(13) ? 3_655 . 8_555 .
Cl(1) Ca(3) O(3) P(1) -26.11(6) ? 8_555 . 5_555 5_555
Cl(1) Ca(3) O(3) Ca(2) -26.11(6) ? 8_555 . 5_555 .
O(3) Ca(3) Cl(1) Ca(3) 148.24(6) ? 5_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) 41.95(7) ? 5_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(2) 105.1(16) ? 5_555 . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) 145.99(10) ? 5_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) 43.67(12) ? 5_555 . 8_555 5_555
O(3) Ca(3) Cl(1) F(1) 95.10(4) ? 5_555 . 8_555 .
P(1) Ca(3) P(1) Ca(1) 33.685(8) ? . . 3_655 2_655
P(1) Ca(3) P(1) Ca(1) -33.685(8) ? . . 3_655 7_665
P(1) Ca(3) P(1) O(1) -72.43(5) ? . . 3_655 3_655
P(1) Ca(3) P(1) Ca(1) -33.169(11) ? 3_655 . . 2_655
P(1) Ca(3) P(1) Ca(1) 33.168(11) ? 3_655 . . 7_665
P(1) Ca(3) P(1) O(1) 95.21(8) ? 3_655 . . .
P(1) Ca(3) P(1) O(1) -95.21(8) ? 3_655 . . 10_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) 146.831(11) ? . . . 2_655
F(1) Ca(3) P(1) Ca(1) -146.832(11) ? . . . 7_665
F(1) Ca(3) P(1) O(1) -84.79(8) ? . . . .
F(1) Ca(3) P(1) O(1) 84.79(8) ? . . . 10_555
P(1) Ca(3) O(1) Ca(1) 92.40(6) ? . . . 7_665
P(1) Ca(3) O(1) Ca(2) -88.5(3) ? . . . .
P(1) Ca(3) O(1) Ca(3) -161.96(17) ? . . . 2_554
P(1) Ca(3) O(1) Ca(2) -158.6(3) ? . . . 2_554
O(1) Ca(3) P(1) Ca(1) -128.37(9) ? . . . 2_655
O(1) Ca(3) P(1) Ca(1) -62.04(8) ? . . . 7_665
O(1) Ca(3) P(1) Ca(2) 84.79(8) ? . . . .
O(1) Ca(3) P(1) O(2) -95.21(8) ? . . . .
O(1) Ca(3) P(1) O(3) 84.79(8) ? . . . .
O(1) Ca(3) P(1) Ca(3) -95.21(8) ? . . . 5_665
O(1) Ca(3) P(1) O(1) 169.59(14) ? . . . 10_555
P(1) Ca(3) O(1) Ca(3) 112.58(10) ? . . 6_555 6_555
P(1) Ca(3) O(1) Ca(2) 106.52(16) ? . . 6_555 6_555
P(1) Ca(3) O(1) P(1) -39.1(2) ? . . 6_555 6_555
P(1) Ca(3) O(1) Ca(2) 81.1(7) ? . . 6_555 .
O(1) Ca(3) P(1) Ca(1) 47.81(12) ? 6_555 . . 2_655
O(1) Ca(3) P(1) Ca(1) 114.14(13) ? 6_555 . . 7_665
O(1) Ca(3) P(1) Ca(2) -99.03(13) ? 6_555 . . .
O(1) Ca(3) P(1) O(1) 176.18(19) ? 6_555 . . .
O(1) Ca(3) P(1) O(2) 80.97(13) ? 6_555 . . .
O(1) Ca(3) P(1) O(3) -99.03(13) ? 6_555 . . .
O(1) Ca(3) P(1) Ca(3) 80.97(13) ? 6_555 . . 5_665
O(1) Ca(3) P(1) O(1) -14.23(11) ? 6_555 . . 10_555
P(1) Ca(3) O(1) Ca(2) -81.1(7) ? . . 9_555 .
O(1) Ca(3) P(1) Ca(1) -114.14(13) ? 9_555 . . 2_655
O(1) Ca(3) P(1) Ca(1) -47.81(12) ? 9_555 . . 7_665
O(1) Ca(3) P(1) Ca(2) 99.03(13) ? 9_555 . . .
O(1) Ca(3) P(1) O(1) 14.23(11) ? 9_555 . . .
O(1) Ca(3) P(1) O(2) -80.97(13) ? 9_555 . . .
O(1) Ca(3) P(1) O(3) 99.03(13) ? 9_555 . . .
O(1) Ca(3) P(1) Ca(3) -80.97(13) ? 9_555 . . 5_665
O(1) Ca(3) P(1) O(1) -176.18(19) ? 9_555 . . 10_555
P(1) Ca(3) O(1) Ca(2) 88.5(3) ? . . 10_555 .
O(1) Ca(3) P(1) Ca(1) 62.04(8) ? 10_555 . . 2_655
O(1) Ca(3) P(1) Ca(1) 128.37(9) ? 10_555 . . 7_665
O(1) Ca(3) P(1) Ca(2) -84.79(8) ? 10_555 . . .
O(1) Ca(3) P(1) O(1) -169.59(14) ? 10_555 . . .
O(1) Ca(3) P(1) O(2) 95.21(8) ? 10_555 . . .
O(1) Ca(3) P(1) O(3) -84.79(8) ? 10_555 . . .
O(1) Ca(3) P(1) Ca(3) 95.21(8) ? 10_555 . . 5_665
P(1) Ca(3) O(2) Ca(1) 50.52(5) ? . . 3_655 2_655
P(1) Ca(3) O(2) Ca(1) -50.52(5) ? . . 3_655 7_665
O(2) Ca(3) P(1) Ca(1) -33.169(11) ? 3_655 . . 2_655
O(2) Ca(3) P(1) Ca(1) 33.168(11) ? 3_655 . . 7_665
O(2) Ca(3) P(1) O(1) 95.21(8) ? 3_655 . . .
O(2) Ca(3) P(1) O(1) -95.21(8) ? 3_655 . . 10_555
O(3) Ca(3) P(1) Ca(1) -33.169(11) ? 5_555 . . 2_655
O(3) Ca(3) P(1) Ca(1) 33.168(11) ? 5_555 . . 7_665
O(3) Ca(3) P(1) O(1) 95.21(8) ? 5_555 . . .
O(3) Ca(3) P(1) O(1) -95.21(8) ? 5_555 . . 10_555
P(1) Ca(3) F(1) Cl(1) -90.0 ? 3_655 . . .
P(1) Ca(3) F(1) Cl(1) 90.0 ? 3_655 . . 8_555
F(1) Ca(3) P(1) Ca(1) 33.685(8) ? . . 3_655 2_655
F(1) Ca(3) P(1) Ca(1) -33.685(8) ? . . 3_655 7_665
F(1) Ca(3) P(1) O(1) -72.43(5) ? . . 3_655 3_655
P(1) Ca(3) O(1) Ca(1) 5.52(2) ? 3_655 . . 7_665
P(1) Ca(3) O(1) Ca(2) -175.4(3) ? 3_655 . . .
P(1) Ca(3) O(1) P(1) -86.88(6) ? 3_655 . . .
P(1) Ca(3) O(1) Ca(3) 111.16(12) ? 3_655 . . 2_554
P(1) Ca(3) O(1) Ca(2) 114.5(2) ? 3_655 . . 2_554
O(1) Ca(3) P(1) Ca(1) 62.43(2) ? . . 3_655 2_655
O(1) Ca(3) P(1) Ca(1) -4.94(2) ? . . 3_655 7_665
O(1) Ca(3) P(1) Ca(3) 28.74(2) ? . . 3_655 3_655
O(1) Ca(3) P(1) Ca(2) 28.74(2) ? . . 3_655 3_655
O(1) Ca(3) P(1) O(1) -43.69(6) ? . . 3_655 3_655
O(1) Ca(3) P(1) O(2) 28.74(2) ? . . 3_655 3_655
O(1) Ca(3) P(1) O(3) -151.26(2) ? . . 3_655 3_655
P(1) Ca(3) O(1) Ca(3) -157.49(8) ? 3_655 . 6_555 6_555
P(1) Ca(3) O(1) Ca(2) -163.56(14) ? 3_655 . 6_555 6_555
P(1) Ca(3) O(1) P(1) 50.83(17) ? 3_655 . 6_555 6_555
P(1) Ca(3) O(1) Ca(2) 171.0(7) ? 3_655 . 6_555 .
O(1) Ca(3) P(1) Ca(1) -75.05(3) ? 6_555 . 3_655 2_655
O(1) Ca(3) P(1) Ca(1) -142.42(3) ? 6_555 . 3_655 7_665
O(1) Ca(3) P(1) Ca(3) -108.74(3) ? 6_555 . 3_655 3_655
O(1) Ca(3) P(1) Ca(2) -108.74(3) ? 6_555 . 3_655 3_655
O(1) Ca(3) P(1) O(1) 178.83(6) ? 6_555 . 3_655 3_655
O(1) Ca(3) P(1) O(2) -108.74(3) ? 6_555 . 3_655 3_655
O(1) Ca(3) P(1) O(3) 71.26(3) ? 6_555 . 3_655 3_655
P(1) Ca(3) O(1) Ca(2) -171.0(7) ? 3_655 . 9_555 .
O(1) Ca(3) P(1) Ca(1) 142.42(3) ? 9_555 . 3_655 2_655
O(1) Ca(3) P(1) Ca(1) 75.05(3) ? 9_555 . 3_655 7_665
O(1) Ca(3) P(1) Ca(3) 108.74(3) ? 9_555 . 3_655 3_655
O(1) Ca(3) P(1) Ca(2) 108.74(3) ? 9_555 . 3_655 3_655
O(1) Ca(3) P(1) O(1) 36.31(6) ? 9_555 . 3_655 3_655
O(1) Ca(3) P(1) O(2) 108.74(3) ? 9_555 . 3_655 3_655
O(1) Ca(3) P(1) O(3) -71.26(3) ? 9_555 . 3_655 3_655
P(1) Ca(3) O(1) Ca(2) 175.4(3) ? 3_655 . 10_555 .
P(1) Ca(3) O(1) P(1) 86.88(6) ? 3_655 . 10_555 .
O(1) Ca(3) P(1) Ca(1) 4.94(2) ? 10_555 . 3_655 2_655
O(1) Ca(3) P(1) Ca(1) -62.43(2) ? 10_555 . 3_655 7_665
O(1) Ca(3) P(1) Ca(3) -28.74(2) ? 10_555 . 3_655 3_655
O(1) Ca(3) P(1) Ca(2) -28.74(2) ? 10_555 . 3_655 3_655
O(1) Ca(3) P(1) O(1) -101.17(5) ? 10_555 . 3_655 3_655
O(1) Ca(3) P(1) O(2) -28.74(2) ? 10_555 . 3_655 3_655
O(1) Ca(3) P(1) O(3) 151.26(2) ? 10_555 . 3_655 3_655
P(1) Ca(3) O(2) Ca(1) -129.48(5) ? 3_655 . 3_655 2_655
P(1) Ca(3) O(2) Ca(1) 129.48(5) ? 3_655 . 3_655 7_665
O(2) Ca(3) P(1) Ca(1) 33.685(8) ? 3_655 . 3_655 2_655
O(2) Ca(3) P(1) Ca(1) -33.685(8) ? 3_655 . 3_655 7_665
O(2) Ca(3) P(1) O(1) -72.43(5) ? 3_655 . 3_655 3_655
O(3) Ca(3) P(1) Ca(1) -146.315(8) ? 5_555 . 3_655 2_655
O(3) Ca(3) P(1) Ca(1) 146.315(8) ? 5_555 . 3_655 7_665
O(3) Ca(3) P(1) O(1) 107.57(5) ? 5_555 . 3_655 3_655
F(1) Ca(3) O(1) Ca(1) -176.89(2) ? . . . 7_665
F(1) Ca(3) O(1) Ca(2) 2.2(3) ? . . . .
F(1) Ca(3) O(1) P(1) 90.71(6) ? . . . .
F(1) Ca(3) O(1) Ca(3) -71.25(13) ? . . . 2_554
F(1) Ca(3) O(1) Ca(2) -67.9(2) ? . . . 2_554
O(1) Ca(3) F(1) Ca(3) -29.05(2) ? . . . 3_555
O(1) Ca(3) F(1) Ca(3) 150.95(2) ? . . . 5_555
O(1) Ca(3) F(1) Ca(2) -29.05(2) ? . . . .
O(1) Ca(3) F(1) Cl(1) -119.05(2) ? . . . .
O(1) Ca(3) F(1) Ca(2) -29.05(2) ? . . . 3_555
O(1) Ca(3) F(1) Ca(2) 150.95(2) ? . . . 5_555
O(1) Ca(3) F(1) Cl(1) 60.95(2) ? . . . 8_555
F(1) Ca(3) O(1) Ca(3) 27.28(9) ? . . 6_555 6_555
F(1) Ca(3) O(1) Ca(2) 21.21(14) ? . . 6_555 6_555
F(1) Ca(3) O(1) P(1) -124.39(16) ? . . 6_555 6_555
F(1) Ca(3) O(1) Ca(2) -4.2(6) ? . . 6_555 .
O(1) Ca(3) F(1) Ca(3) 107.88(3) ? 6_555 . . 3_555
O(1) Ca(3) F(1) Ca(3) -72.12(3) ? 6_555 . . 5_555
O(1) Ca(3) F(1) Ca(2) 107.88(3) ? 6_555 . . .
O(1) Ca(3) F(1) Cl(1) 17.88(3) ? 6_555 . . .
O(1) Ca(3) F(1) Ca(2) 107.88(3) ? 6_555 . . 3_555
O(1) Ca(3) F(1) Ca(2) -72.12(3) ? 6_555 . . 5_555
O(1) Ca(3) F(1) Cl(1) -162.12(3) ? 6_555 . . 8_555
F(1) Ca(3) O(1) Ca(2) 4.2(6) ? . . 9_555 .
O(1) Ca(3) F(1) Ca(3) -107.88(3) ? 9_555 . . 3_555
O(1) Ca(3) F(1) Ca(3) 72.12(3) ? 9_555 . . 5_555
O(1) Ca(3) F(1) Ca(2) -107.88(3) ? 9_555 . . .
O(1) Ca(3) F(1) Cl(1) 162.12(3) ? 9_555 . . .
O(1) Ca(3) F(1) Ca(2) -107.88(3) ? 9_555 . . 3_555
O(1) Ca(3) F(1) Ca(2) 72.12(3) ? 9_555 . . 5_555
O(1) Ca(3) F(1) Cl(1) -17.88(3) ? 9_555 . . 8_555
F(1) Ca(3) O(1) Ca(2) -2.2(3) ? . . 10_555 .
F(1) Ca(3) O(1) P(1) -90.71(6) ? . . 10_555 .
O(1) Ca(3) F(1) Ca(3) 29.05(2) ? 10_555 . . 3_555
O(1) Ca(3) F(1) Ca(3) -150.95(2) ? 10_555 . . 5_555
O(1) Ca(3) F(1) Ca(2) 29.05(2) ? 10_555 . . .
O(1) Ca(3) F(1) Cl(1) -60.95(2) ? 10_555 . . .
O(1) Ca(3) F(1) Ca(2) 29.05(2) ? 10_555 . . 3_555
O(1) Ca(3) F(1) Ca(2) -150.95(2) ? 10_555 . . 5_555
O(1) Ca(3) F(1) Cl(1) 119.05(2) ? 10_555 . . 8_555
F(1) Ca(3) O(2) Ca(1) 50.52(5) ? . . 3_655 2_655
F(1) Ca(3) O(2) Ca(1) -50.52(5) ? . . 3_655 7_665
O(2) Ca(3) F(1) Cl(1) -90.0 ? 3_655 . . .
O(2) Ca(3) F(1) Cl(1) 90.0 ? 3_655 . . 8_555
O(3) Ca(3) F(1) Cl(1) 90.0 ? 5_555 . . .
O(3) Ca(3) F(1) Cl(1) -90.0 ? 5_555 . . 8_555
O(1) Ca(3) O(1) Ca(3) 115.3(2) ? . . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) 109.2(2) ? . . 6_555 6_555
O(1) Ca(3) O(1) P(1) -36.4(3) ? . . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) 83.8(7) ? . . 6_555 .
O(1) Ca(3) O(1) Ca(1) 87.0(2) ? 6_555 . . 7_665
O(1) Ca(3) O(1) Ca(2) -93.9(4) ? 6_555 . . .
O(1) Ca(3) O(1) P(1) -5.4(2) ? 6_555 . . .
O(1) Ca(3) O(1) Ca(3) -167.3(2) ? 6_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) -163.9(3) ? 6_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) -74.2(7) ? . . 9_555 .
O(1) Ca(3) O(1) Ca(1) -73.99(9) ? 9_555 . . 7_665
O(1) Ca(3) O(1) Ca(2) 105.1(3) ? 9_555 . . .
O(1) Ca(3) O(1) P(1) -166.39(10) ? 9_555 . . .
O(1) Ca(3) O(1) Ca(3) 31.65(17) ? 9_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) 35.0(3) ? 9_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) 82.6(3) ? . . 10_555 .
O(1) Ca(3) O(1) P(1) -5.93(8) ? . . 10_555 .
O(1) Ca(3) O(1) Ca(1) 98.33(6) ? 10_555 . . 7_665
O(1) Ca(3) O(1) Ca(2) -82.6(3) ? 10_555 . . .
O(1) Ca(3) O(1) P(1) 5.93(8) ? 10_555 . . .
O(1) Ca(3) O(1) Ca(3) -156.03(13) ? 10_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) -152.6(2) ? 10_555 . . 2_554
O(1) Ca(3) O(2) Ca(1) 80.20(6) ? . . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) -20.84(6) ? . . 3_655 7_665
O(1) Ca(3) O(2) P(1) -150.32(3) ? . . 3_655 3_655
O(1) Ca(3) O(2) Ca(2) 29.68(3) ? . . 3_655 .
O(2) Ca(3) O(1) Ca(1) 16.57(3) ? 3_655 . . 7_665
O(2) Ca(3) O(1) Ca(2) -164.4(3) ? 3_655 . . .
O(2) Ca(3) O(1) P(1) -75.83(7) ? 3_655 . . .
O(2) Ca(3) O(1) Ca(3) 122.21(12) ? 3_655 . . 2_554
O(2) Ca(3) O(1) Ca(2) 125.6(2) ? 3_655 . . 2_554
O(1) Ca(3) O(3) P(1) -91.5(3) ? . . 5_555 5_555
O(1) Ca(3) O(3) Ca(2) -91.5(3) ? . . 5_555 .
O(3) Ca(3) O(1) Ca(1) -79.9(3) ? 5_555 . . 7_665
O(3) Ca(3) O(1) Ca(2) 99.1(5) ? 5_555 . . .
O(3) Ca(3) O(1) P(1) -172.3(3) ? 5_555 . . .
O(3) Ca(3) O(1) Ca(3) 25.7(4) ? 5_555 . . 2_554
O(3) Ca(3) O(1) Ca(2) 29.1(4) ? 5_555 . . 2_554
O(1) Ca(3) O(1) Ca(2) 125.0(7) ? 6_555 . 9_555 .
O(1) Ca(3) O(1) Ca(3) -93.5(2) ? 9_555 . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) -99.5(2) ? 9_555 . 6_555 6_555
O(1) Ca(3) O(1) P(1) 114.86(17) ? 9_555 . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) -125.0(7) ? 9_555 . 6_555 .
O(1) Ca(3) O(1) Ca(2) -105.1(3) ? 6_555 . 10_555 .
O(1) Ca(3) O(1) P(1) 166.39(10) ? 6_555 . 10_555 .
O(1) Ca(3) O(1) Ca(3) 105.71(9) ? 10_555 . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) 99.64(15) ? 10_555 . 6_555 6_555
O(1) Ca(3) O(1) P(1) -46.0(2) ? 10_555 . 6_555 6_555
O(1) Ca(3) O(1) Ca(2) 74.2(7) ? 10_555 . 6_555 .
O(1) Ca(3) O(2) Ca(1) -60.35(9) ? 6_555 . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) -161.39(7) ? 6_555 . 3_655 7_665
O(1) Ca(3) O(2) P(1) 69.13(5) ? 6_555 . 3_655 3_655
O(1) Ca(3) O(2) Ca(2) -110.87(5) ? 6_555 . 3_655 .
O(2) Ca(3) O(1) Ca(3) -178.92(8) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(1) Ca(2) 175.01(15) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(1) P(1) 29.4(2) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(1) Ca(2) 149.6(7) ? 3_655 . 6_555 .
O(1) Ca(3) O(3) P(1) 97.75(8) ? 6_555 . 5_555 5_555
O(1) Ca(3) O(3) Ca(2) 97.75(8) ? 6_555 . 5_555 .
O(3) Ca(3) O(1) Ca(3) -71.28(11) ? 5_555 . 6_555 6_555
O(3) Ca(3) O(1) Ca(2) -77.35(15) ? 5_555 . 6_555 6_555
O(3) Ca(3) O(1) P(1) 137.04(16) ? 5_555 . 6_555 6_555
O(3) Ca(3) O(1) Ca(2) -102.8(7) ? 5_555 . 6_555 .
O(1) Ca(3) O(1) Ca(2) 93.9(4) ? 9_555 . 10_555 .
O(1) Ca(3) O(1) P(1) 5.4(2) ? 9_555 . 10_555 .
O(1) Ca(3) O(1) Ca(2) -83.8(7) ? 10_555 . 9_555 .
O(1) Ca(3) O(2) Ca(1) 161.39(7) ? 9_555 . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) 60.34(9) ? 9_555 . 3_655 7_665
O(1) Ca(3) O(2) P(1) -69.13(5) ? 9_555 . 3_655 3_655
O(1) Ca(3) O(2) Ca(2) 110.87(5) ? 9_555 . 3_655 .
O(2) Ca(3) O(1) Ca(2) -149.6(7) ? 3_655 . 9_555 .
O(1) Ca(3) O(3) P(1) -97.75(8) ? 9_555 . 5_555 5_555
O(1) Ca(3) O(3) Ca(2) -97.75(8) ? 9_555 . 5_555 .
O(3) Ca(3) O(1) Ca(2) 102.8(7) ? 5_555 . 9_555 .
O(1) Ca(3) O(2) Ca(1) 20.84(6) ? 10_555 . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) -80.20(6) ? 10_555 . 3_655 7_665
O(1) Ca(3) O(2) P(1) 150.32(3) ? 10_555 . 3_655 3_655
O(1) Ca(3) O(2) Ca(2) -29.68(3) ? 10_555 . 3_655 .
O(2) Ca(3) O(1) Ca(2) 164.4(3) ? 3_655 . 10_555 .
O(2) Ca(3) O(1) P(1) 75.83(7) ? 3_655 . 10_555 .
O(1) Ca(3) O(3) P(1) 91.5(3) ? 10_555 . 5_555 5_555
O(1) Ca(3) O(3) Ca(2) 91.5(3) ? 10_555 . 5_555 .
O(3) Ca(3) O(1) Ca(2) -99.1(5) ? 5_555 . 10_555 .
O(3) Ca(3) O(1) P(1) 172.3(3) ? 5_555 . 10_555 .
O(3) Ca(3) O(2) Ca(1) -129.48(5) ? 5_555 . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) 129.48(5) ? 5_555 . 3_655 7_665
Ca(3) Ca(2) Cl(1) Ca(3) 137.2(15) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(3) -117.4(15) ? . . . 5_555
Ca(3) Ca(2) Cl(1) F(1) -169.8(16) ? . . . .
Ca(3) Ca(2) Cl(1) Ca(2) 139.4(15) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(2) -119.0(16) ? . . . 5_555
Ca(3) Ca(2) Cl(1) Ca(2) 48.5(16) ? . . . 2_555
Ca(3) Ca(2) Cl(1) Ca(2) 10.2(18) ? . . . 4_555
Ca(3) Ca(2) Cl(1) Ca(2) -28.1(16) ? . . . 6_555
Ca(3) Ca(2) Cl(1) Cl(1) 10.2(16) ? . . . 7_556
Ca(3) Ca(2) Cl(1) Ca(3) -57.9(10) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) Ca(2) -56.7(10) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) F(1) -6.9(11) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) Ca(2) -147.3(10) ? . . 2_554 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 133.5(10) ? . . 2_554 5_555
Ca(3) Ca(2) Cl(1) Ca(3) 57.9(10) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(3) -174.5(9) ? . . 7_556 4_555
Ca(3) Ca(2) Cl(1) Ca(3) -44.8(10) ? . . 7_556 6_555
Ca(3) Ca(2) Cl(1) Ca(2) 147.3(10) ? . . 7_556 3_555
Ca(3) Ca(2) Cl(1) Ca(2) -133.5(10) ? . . 7_556 5_555
Ca(3) Ca(2) Cl(1) Ca(2) 56.7(10) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(2) -173.1(9) ? . . 7_556 4_555
Ca(3) Ca(2) Cl(1) Ca(2) -42.9(10) ? . . 7_556 6_555
Ca(3) Ca(2) Cl(1) Cl(1) -173.1(11) ? . . 7_556 .
Ca(3) Ca(2) Cl(1) F(1) 6.9(11) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(3) -137.2(15) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 117.4(15) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) Ca(2) -139.4(15) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 119.0(16) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) F(1) 169.8(16) ? . . 8_555 .
Ca(3) Ca(2) P(1) Ca(1) -32.712(19) ? . . . 2_655
Ca(3) Ca(2) P(1) Ca(1) 32.711(19) ? . . . 7_665
Ca(3) Ca(2) P(1) O(1) 91.90(17) ? . . . .
Ca(3) Ca(2) P(1) O(1) -91.90(17) ? . . . 10_555
Ca(3) Ca(2) F(1) Cl(1) 90.0 ? . . . .
Ca(3) Ca(2) F(1) Cl(1) -90.0 ? . . . 8_555
Ca(3) Ca(2) O(1) Ca(1) 1.0(3) ? . . . 7_665
Ca(3) Ca(2) O(1) P(1) -92.1(3) ? . . . .
Ca(3) Ca(2) O(1) Ca(3) 109.5(4) ? . . . 2_554
Ca(3) Ca(2) O(1) Ca(2) 112.2(4) ? . . . 2_554
Ca(3) Ca(2) O(1) Ca(3) -150.0(6) ? . . 6_555 6_555
Ca(3) Ca(2) O(1) Ca(2) -155.7(6) ? . . 6_555 6_555
Ca(3) Ca(2) O(1) P(1) 66.3(7) ? . . 6_555 6_555
Ca(3) Ca(2) O(1) P(1) 92.1(3) ? . . 10_555 .
Ca(3) Ca(2) O(2) Ca(1) -130.51(6) ? . . 3_655 2_655
Ca(3) Ca(2) O(2) Ca(1) 130.51(6) ? . . 3_655 7_665
Cl(1) Ca(2) Cl(1) Ca(3) 129.00(7) ? . . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 130.17(16) ? . . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 39.59(11) ? . . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.59(12) ? . . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 169.8(16) ? 2_554 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -53.02(6) ? 2_554 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 52.46(7) ? 2_554 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -50.81(11) ? 2_554 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 50.81(12) ? 2_554 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -141.68(9) ? 2_554 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) 141.68(8) ? 2_554 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -129.00(7) ? . . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -1.4(2) ? . . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 128.31(7) ? . . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.59(11) ? . . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.59(12) ? . . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.17(16) ? . . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.17(14) ? . . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -10.2(16) ? 7_556 . . .
Cl(1) Ca(2) Cl(1) Ca(3) 126.98(6) ? 7_556 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -127.54(7) ? 7_556 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 129.19(11) ? 7_556 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -129.19(12) ? 7_556 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 38.32(9) ? 7_556 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -38.32(8) ? 7_556 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -169.8(16) ? . . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 53.02(6) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -52.46(7) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 50.81(11) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -50.81(12) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 169.8(16) ? 8_555 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -53.02(6) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 52.46(7) ? 8_555 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -50.81(11) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 50.81(12) ? 8_555 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -141.68(9) ? 8_555 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) 141.68(8) ? 8_555 . . 6_555
Cl(1) Ca(2) P(1) Ca(1) 119.18(10) ? . . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -175.40(14) ? . . . 7_665
Cl(1) Ca(2) P(1) Ca(3) 151.89(12) ? . . . .
Cl(1) Ca(2) P(1) O(1) -116.2(2) ? . . . .
Cl(1) Ca(2) P(1) O(2) 151.89(12) ? . . . .
Cl(1) Ca(2) P(1) O(3) -28.11(12) ? . . . .
Cl(1) Ca(2) P(1) Ca(3) 151.89(12) ? . . . 5_665
Cl(1) Ca(2) P(1) O(1) 59.99(9) ? . . . 10_555
P(1) Ca(2) Cl(1) Ca(3) -101.5(16) ? . . . .
P(1) Ca(2) Cl(1) Ca(3) 35.62(12) ? . . . 3_555
P(1) Ca(2) Cl(1) Ca(3) 141.09(9) ? . . . 5_555
P(1) Ca(2) Cl(1) F(1) 88.64(10) ? . . . .
P(1) Ca(2) Cl(1) Ca(2) 37.83(15) ? . . . 3_555
P(1) Ca(2) Cl(1) Ca(2) 139.45(14) ? . . . 5_555
P(1) Ca(2) Cl(1) Ca(2) -53.04(12) ? . . . 2_555
P(1) Ca(2) Cl(1) Ca(2) -91.4(3) ? . . . 4_555
P(1) Ca(2) Cl(1) Ca(2) -129.68(11) ? . . . 6_555
P(1) Ca(2) Cl(1) Cl(1) -91.36(10) ? . . . 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) 169.8(16) ? . . . .
F(1) Ca(2) Cl(1) Ca(3) -53.02(6) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(3) 52.46(7) ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(2) -50.81(11) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(2) 50.81(12) ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(2) -141.68(9) ? . . . 2_555
F(1) Ca(2) Cl(1) Ca(2) 141.68(8) ? . . . 6_555
Cl(1) Ca(2) O(1) Ca(1) 158.68(13) ? . . . 7_665
Cl(1) Ca(2) O(1) Ca(3) 157.7(4) ? . . . .
Cl(1) Ca(2) O(1) P(1) 65.59(17) ? . . . .
Cl(1) Ca(2) O(1) Ca(3) -92.79(13) ? . . . 2_554
Cl(1) Ca(2) O(1) Ca(2) -90.1(2) ? . . . 2_554
O(1) Ca(2) Cl(1) Ca(3) -128.0(16) ? . . . .
O(1) Ca(2) Cl(1) Ca(3) 9.22(16) ? . . . 3_555
O(1) Ca(2) Cl(1) Ca(3) 114.69(12) ? . . . 5_555
O(1) Ca(2) Cl(1) F(1) 62.23(13) ? . . . .
O(1) Ca(2) Cl(1) Ca(2) 11.42(18) ? . . . 3_555
O(1) Ca(2) Cl(1) Ca(2) 113.04(16) ? . . . 5_555
O(1) Ca(2) Cl(1) Ca(2) -79.45(15) ? . . . 2_555
O(1) Ca(2) Cl(1) Ca(2) -117.8(3) ? . . . 4_555
O(1) Ca(2) Cl(1) Ca(2) -156.09(14) ? . . . 6_555
O(1) Ca(2) Cl(1) Cl(1) -117.77(13) ? . . . 7_556
Cl(1) Ca(2) O(1) Ca(3) 33.87(10) ? . . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(2) 28.17(14) ? . . 6_555 6_555
Cl(1) Ca(2) O(1) P(1) -109.8(3) ? . . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(3) -176.1(7) ? . . 6_555 .
O(1) Ca(2) Cl(1) Ca(3) 7.8(15) ? 6_555 . . .
O(1) Ca(2) Cl(1) Ca(3) 144.93(7) ? 6_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(3) -109.60(8) ? 6_555 . . 5_555
O(1) Ca(2) Cl(1) F(1) -162.06(9) ? 6_555 . . .
O(1) Ca(2) Cl(1) Ca(2) 147.13(12) ? 6_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(2) -111.25(13) ? 6_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(2) 56.26(10) ? 6_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(2) 17.9(3) ? 6_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(2) -20.38(9) ? 6_555 . . 6_555
O(1) Ca(2) Cl(1) Cl(1) 17.94(9) ? 6_555 . . 7_556
Cl(1) Ca(2) O(1) Ca(3) -163.4(8) ? . . 9_555 .
O(1) Ca(2) Cl(1) Ca(3) 145.3(17) ? 9_555 . . .
O(1) Ca(2) Cl(1) Ca(3) -77.5(2) ? 9_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(3) 27.9(2) ? 9_555 . . 5_555
O(1) Ca(2) Cl(1) F(1) -24.52(17) ? 9_555 . . .
O(1) Ca(2) Cl(1) Ca(2) -75.3(2) ? 9_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(2) 26.3(2) ? 9_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(2) -166.2(2) ? 9_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(2) 155.5(2) ? 9_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(2) 117.2(2) ? 9_555 . . 6_555
O(1) Ca(2) Cl(1) Cl(1) 155.48(17) ? 9_555 . . 7_556
Cl(1) Ca(2) O(1) Ca(3) 152.3(3) ? . . 10_555 .
Cl(1) Ca(2) O(1) P(1) -115.60(10) ? . . 10_555 .
O(1) Ca(2) Cl(1) Ca(3) -75.4(15) ? 10_555 . . .
O(1) Ca(2) Cl(1) Ca(3) 61.76(11) ? 10_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(3) 167.23(9) ? 10_555 . . 5_555
O(1) Ca(2) Cl(1) F(1) 114.77(11) ? 10_555 . . .
O(1) Ca(2) Cl(1) Ca(2) 63.96(14) ? 10_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(2) 165.58(14) ? 10_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(2) -26.91(12) ? 10_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(2) -65.2(3) ? 10_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(2) -103.55(12) ? 10_555 . . 6_555
O(1) Ca(2) Cl(1) Cl(1) -65.23(11) ? 10_555 . . 7_556
Cl(1) Ca(2) O(2) Ca(1) -3.1(3) ? . . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -102.1(2) ? . . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) 127.4(3) ? . . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 127.4(3) ? . . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) -53.7(15) ? 3_655 . . .
O(2) Ca(2) Cl(1) Ca(3) 83.5(3) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(3) -171.1(3) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) F(1) 136.5(3) ? 3_655 . . .
O(2) Ca(2) Cl(1) Ca(2) 85.7(3) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(2) -172.7(3) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) Ca(2) -5.2(3) ? 3_655 . . 2_555
O(2) Ca(2) Cl(1) Ca(2) -43.5(5) ? 3_655 . . 4_555
O(2) Ca(2) Cl(1) Ca(2) -81.8(3) ? 3_655 . . 6_555
O(2) Ca(2) Cl(1) Cl(1) -43.5(3) ? 3_655 . . 7_556
Cl(1) Ca(2) O(3) P(1) 29.02(15) ? . . 5_555 5_555
Cl(1) Ca(2) O(3) Ca(3) -150.98(15) ? . . 5_555 .
O(3) Ca(2) Cl(1) Ca(3) 72.2(15) ? 5_555 . . .
O(3) Ca(2) Cl(1) Ca(3) -150.66(12) ? 5_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) -45.19(17) ? 5_555 . . 5_555
O(3) Ca(2) Cl(1) F(1) -97.65(13) ? 5_555 . . .
O(3) Ca(2) Cl(1) Ca(2) -148.46(16) ? 5_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) -46.84(19) ? 5_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(2) 120.67(15) ? 5_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(2) 82.4(3) ? 5_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(2) 44.03(15) ? 5_555 . . 6_555
O(3) Ca(2) Cl(1) Cl(1) 82.35(13) ? 5_555 . . 7_556
Cl(1) Ca(2) Cl(1) Ca(3) -129.00(7) ? 2_554 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -1.4(2) ? 2_554 . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 128.31(7) ? 2_554 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.59(11) ? 2_554 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.59(12) ? 2_554 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.17(16) ? 2_554 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.17(14) ? 2_554 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) 129.00(7) ? 7_556 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 130.17(16) ? 7_556 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 39.59(11) ? 7_556 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.59(12) ? 7_556 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 10.2(16) ? 2_554 . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) -126.98(6) ? 2_554 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.54(7) ? 2_554 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -129.19(11) ? 2_554 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 129.19(12) ? 2_554 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 129.00(7) ? 8_555 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 130.17(16) ? 8_555 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 39.59(11) ? 8_555 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.59(12) ? 8_555 . 2_554 5_555
Cl(1) Ca(2) P(1) Ca(1) -168.39(16) ? 2_554 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -102.97(12) ? 2_554 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) -135.68(14) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(1) -43.78(8) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(2) -135.68(14) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(3) 44.32(14) ? 2_554 . . .
Cl(1) Ca(2) P(1) Ca(3) -135.68(14) ? 2_554 . . 5_665
Cl(1) Ca(2) P(1) O(1) 132.4(3) ? 2_554 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) 41.02(15) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) Ca(2) 42.2(2) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) F(1) 92.02(16) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) Ca(2) -48.39(15) ? . . 2_554 3_555
P(1) Ca(2) Cl(1) Ca(2) -127.6(2) ? . . 2_554 5_555
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 2_554 . . .
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 2_554 . . 3_555
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 2_554 . . 5_555
Cl(1) Ca(2) F(1) Ca(2) -90.0 ? 2_554 . . 3_555
Cl(1) Ca(2) F(1) Ca(2) 90.0 ? 2_554 . . 5_555
F(1) Ca(2) Cl(1) Ca(3) 129.00(7) ? . . 2_554 2_554
F(1) Ca(2) Cl(1) Ca(2) 130.17(16) ? . . 2_554 2_554
F(1) Ca(2) Cl(1) Ca(2) 39.59(11) ? . . 2_554 3_555
F(1) Ca(2) Cl(1) Ca(2) -39.59(12) ? . . 2_554 5_555
Cl(1) Ca(2) O(1) Ca(1) -135.39(9) ? 2_554 . . 7_665
Cl(1) Ca(2) O(1) Ca(3) -136.3(3) ? 2_554 . . .
Cl(1) Ca(2) O(1) P(1) 131.52(9) ? 2_554 . . .
Cl(1) Ca(2) O(1) Ca(3) -26.9(2) ? 2_554 . . 2_554
Cl(1) Ca(2) O(1) Ca(2) -24.1(3) ? 2_554 . . 2_554
O(1) Ca(2) Cl(1) Ca(3) 19.58(14) ? . . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) 20.7(2) ? . . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) 70.58(16) ? . . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) -69.83(15) ? . . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) -149.01(19) ? . . 2_554 5_555
Cl(1) Ca(2) O(1) Ca(3) 1.0(4) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(2) -4.7(4) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(1) P(1) -142.62(18) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(3) 151.0(8) ? 2_554 . 6_555 .
O(1) Ca(2) Cl(1) Ca(3) 163.1(4) ? 6_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) 164.3(4) ? 6_555 . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) -145.9(3) ? 6_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) 73.7(4) ? 6_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) -5.5(3) ? 6_555 . 2_554 5_555
Cl(1) Ca(2) O(1) Ca(3) 170.7(7) ? 2_554 . 9_555 .
O(1) Ca(2) Cl(1) Ca(3) -70.61(9) ? 9_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) -69.44(16) ? 9_555 . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) -19.61(10) ? 9_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) -160.02(13) ? 9_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) 120.80(12) ? 9_555 . 2_554 5_555
Cl(1) Ca(2) O(1) Ca(3) -142.7(4) ? 2_554 . 10_555 .
Cl(1) Ca(2) O(1) P(1) -50.6(2) ? 2_554 . 10_555 .
O(1) Ca(2) Cl(1) Ca(3) 63.2(2) ? 10_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) 64.4(2) ? 10_555 . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) 114.2(2) ? 10_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(2) -26.2(2) ? 10_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) -105.4(2) ? 10_555 . 2_554 5_555
Cl(1) Ca(2) O(2) Ca(1) 116.79(19) ? 2_554 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) 17.8(2) ? 2_554 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) -112.7(2) ? 2_554 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -112.7(2) ? 2_554 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) -18.4(2) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) Ca(2) -17.2(2) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) F(1) 32.6(2) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) Ca(2) -107.8(2) ? 3_655 . 2_554 3_555
O(2) Ca(2) Cl(1) Ca(2) 173.0(2) ? 3_655 . 2_554 5_555
Cl(1) Ca(2) O(3) P(1) -45.40(17) ? 2_554 . 5_555 5_555
Cl(1) Ca(2) O(3) Ca(3) 134.60(17) ? 2_554 . 5_555 .
O(3) Ca(2) Cl(1) Ca(3) -129.73(19) ? 5_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) -128.6(2) ? 5_555 . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) -78.73(18) ? 5_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(2) 140.9(2) ? 5_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) 61.68(19) ? 5_555 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -169.8(16) ? 7_556 . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 53.02(6) ? 7_556 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -52.46(7) ? 7_556 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 50.81(11) ? 7_556 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -50.81(12) ? 7_556 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -129.00(7) ? 8_555 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) -1.4(2) ? 8_555 . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 128.31(7) ? 8_555 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.59(11) ? 8_555 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.59(12) ? 8_555 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -130.17(16) ? 8_555 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) 130.17(14) ? 8_555 . 7_556 6_555
Cl(1) Ca(2) P(1) Ca(1) 102.97(12) ? 7_556 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) 168.39(16) ? 7_556 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) 135.68(14) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(1) -132.4(3) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(2) 135.68(14) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(3) -44.32(14) ? 7_556 . . .
Cl(1) Ca(2) P(1) Ca(3) 135.68(14) ? 7_556 . . 5_665
Cl(1) Ca(2) P(1) O(1) 43.78(8) ? 7_556 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) -41.02(15) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) Ca(3) 86.6(2) ? . . 7_556 4_555
P(1) Ca(2) Cl(1) Ca(3) -143.71(15) ? . . 7_556 6_555
P(1) Ca(2) Cl(1) Ca(2) 48.39(15) ? . . 7_556 3_555
P(1) Ca(2) Cl(1) Ca(2) 127.6(2) ? . . 7_556 5_555
P(1) Ca(2) Cl(1) Ca(2) -42.2(2) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) Ca(2) 88.0(3) ? . . 7_556 4_555
P(1) Ca(2) Cl(1) Ca(2) -141.85(19) ? . . 7_556 6_555
P(1) Ca(2) Cl(1) Cl(1) 87.98(16) ? . . 7_556 .
P(1) Ca(2) Cl(1) F(1) -92.02(16) ? . . 7_556 2_555
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 7_556 . . .
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 7_556 . . 3_555
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 7_556 . . 5_555
Cl(1) Ca(2) F(1) Ca(2) 90.0 ? 7_556 . . 3_555
Cl(1) Ca(2) F(1) Ca(2) -90.0 ? 7_556 . . 5_555
F(1) Ca(2) Cl(1) Ca(3) -129.00(7) ? . . 7_556 2_555
F(1) Ca(2) Cl(1) Ca(3) -1.4(2) ? . . 7_556 4_555
F(1) Ca(2) Cl(1) Ca(3) 128.31(7) ? . . 7_556 6_555
F(1) Ca(2) Cl(1) Ca(2) -39.59(11) ? . . 7_556 3_555
F(1) Ca(2) Cl(1) Ca(2) 39.59(12) ? . . 7_556 5_555
F(1) Ca(2) Cl(1) Ca(2) -130.17(16) ? . . 7_556 2_555
F(1) Ca(2) Cl(1) Ca(2) 130.17(14) ? . . 7_556 6_555
Cl(1) Ca(2) O(1) Ca(1) 143.69(18) ? 7_556 . . 7_665
Cl(1) Ca(2) O(1) Ca(3) 142.7(4) ? 7_556 . . .
Cl(1) Ca(2) O(1) P(1) 50.6(2) ? 7_556 . . .
Cl(1) Ca(2) O(1) Ca(3) -107.77(13) ? 7_556 . . 2_554
Cl(1) Ca(2) O(1) Ca(2) -105.0(2) ? 7_556 . . 2_554
O(1) Ca(2) Cl(1) Ca(3) -63.2(2) ? . . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) 64.4(2) ? . . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) -165.9(2) ? . . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(2) 26.2(2) ? . . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) 105.4(2) ? . . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) -64.4(2) ? . . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) 65.8(3) ? . . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) -164.0(2) ? . . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) 65.8(2) ? . . 7_556 .
O(1) Ca(2) Cl(1) F(1) -114.2(2) ? . . 7_556 2_555
Cl(1) Ca(2) O(1) Ca(3) 39.32(8) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(2) 33.63(13) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(1) P(1) -104.3(3) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(3) -170.7(7) ? 7_556 . 6_555 .
O(1) Ca(2) Cl(1) Ca(3) 70.61(9) ? 6_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) -161.76(14) ? 6_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) -32.08(8) ? 6_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(2) 160.02(13) ? 6_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) -120.80(12) ? 6_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) 69.44(16) ? 6_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) -160.4(2) ? 6_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) -30.22(15) ? 6_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) -160.39(10) ? 6_555 . 7_556 .
O(1) Ca(2) Cl(1) F(1) 19.61(10) ? 6_555 . 7_556 2_555
Cl(1) Ca(2) O(1) Ca(3) -151.0(8) ? 7_556 . 9_555 .
O(1) Ca(2) Cl(1) Ca(3) -163.1(4) ? 9_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) -35.5(5) ? 9_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) 94.2(4) ? 9_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(2) -73.7(4) ? 9_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) 5.5(3) ? 9_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) -164.3(4) ? 9_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) -34.1(5) ? 9_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) 96.1(4) ? 9_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) -34.1(3) ? 9_555 . 7_556 .
O(1) Ca(2) Cl(1) F(1) 145.9(3) ? 9_555 . 7_556 2_555
Cl(1) Ca(2) O(1) Ca(3) 136.3(3) ? 7_556 . 10_555 .
Cl(1) Ca(2) O(1) P(1) -131.52(9) ? 7_556 . 10_555 .
O(1) Ca(2) Cl(1) Ca(3) -19.58(14) ? 10_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) 108.05(19) ? 10_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) -122.27(15) ? 10_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(2) 69.83(15) ? 10_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) 149.01(19) ? 10_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) -20.7(2) ? 10_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) 109.4(3) ? 10_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) -120.41(19) ? 10_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) 109.42(16) ? 10_555 . 7_556 .
O(1) Ca(2) Cl(1) F(1) -70.58(16) ? 10_555 . 7_556 2_555
Cl(1) Ca(2) O(2) Ca(1) -17.8(2) ? 7_556 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -116.79(19) ? 7_556 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) 112.7(2) ? 7_556 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 112.7(2) ? 7_556 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) 18.4(2) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) Ca(3) 146.0(2) ? 3_655 . 7_556 4_555
O(2) Ca(2) Cl(1) Ca(3) -84.3(2) ? 3_655 . 7_556 6_555
O(2) Ca(2) Cl(1) Ca(2) 107.8(2) ? 3_655 . 7_556 3_555
O(2) Ca(2) Cl(1) Ca(2) -173.0(2) ? 3_655 . 7_556 5_555
O(2) Ca(2) Cl(1) Ca(2) 17.2(2) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) Ca(2) 147.4(3) ? 3_655 . 7_556 4_555
O(2) Ca(2) Cl(1) Ca(2) -82.4(2) ? 3_655 . 7_556 6_555
O(2) Ca(2) Cl(1) Cl(1) 147.4(2) ? 3_655 . 7_556 .
O(2) Ca(2) Cl(1) F(1) -32.6(2) ? 3_655 . 7_556 2_555
Cl(1) Ca(2) O(3) P(1) 45.40(17) ? 7_556 . 5_555 5_555
Cl(1) Ca(2) O(3) Ca(3) -134.60(17) ? 7_556 . 5_555 .
O(3) Ca(2) Cl(1) Ca(3) 129.73(19) ? 5_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) -102.6(2) ? 5_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) 27.05(19) ? 5_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(2) -140.9(2) ? 5_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) -61.68(19) ? 5_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) 128.6(2) ? 5_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) -101.3(3) ? 5_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) 28.9(2) ? 5_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) -101.27(18) ? 5_555 . 7_556 .
O(3) Ca(2) Cl(1) F(1) 78.73(18) ? 5_555 . 7_556 2_555
Cl(1) Ca(2) P(1) Ca(1) 175.40(14) ? 8_555 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -119.18(10) ? 8_555 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) -151.89(12) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(1) -59.99(9) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(2) -151.89(12) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(3) 28.11(12) ? 8_555 . . .
Cl(1) Ca(2) P(1) Ca(3) -151.89(12) ? 8_555 . . 5_665
Cl(1) Ca(2) P(1) O(1) 116.2(2) ? 8_555 . . 10_555
P(1) Ca(2) Cl(1) Ca(3) 101.5(16) ? . . 8_555 .
P(1) Ca(2) Cl(1) Ca(3) -35.62(12) ? . . 8_555 3_555
P(1) Ca(2) Cl(1) Ca(3) -141.09(9) ? . . 8_555 5_555
P(1) Ca(2) Cl(1) Ca(2) -37.83(15) ? . . 8_555 3_555
P(1) Ca(2) Cl(1) Ca(2) -139.45(14) ? . . 8_555 5_555
P(1) Ca(2) Cl(1) F(1) -88.64(10) ? . . 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) -169.8(16) ? . . 8_555 .
F(1) Ca(2) Cl(1) Ca(3) 53.02(6) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(3) -52.46(7) ? . . 8_555 5_555
F(1) Ca(2) Cl(1) Ca(2) 50.81(11) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(2) -50.81(12) ? . . 8_555 5_555
Cl(1) Ca(2) O(1) Ca(1) -151.31(10) ? 8_555 . . 7_665
Cl(1) Ca(2) O(1) Ca(3) -152.3(3) ? 8_555 . . .
Cl(1) Ca(2) O(1) P(1) 115.60(10) ? 8_555 . . .
Cl(1) Ca(2) O(1) Ca(3) -42.8(2) ? 8_555 . . 2_554
Cl(1) Ca(2) O(1) Ca(2) -40.0(3) ? 8_555 . . 2_554
O(1) Ca(2) Cl(1) Ca(3) 75.4(15) ? . . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) -61.76(11) ? . . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) -167.23(9) ? . . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(2) -63.96(14) ? . . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) -165.58(14) ? . . 8_555 5_555
O(1) Ca(2) Cl(1) F(1) -114.77(11) ? . . 8_555 .
Cl(1) Ca(2) O(1) Ca(3) 13.4(2) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(2) 7.7(2) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(1) P(1) -130.3(2) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(1) Ca(3) 163.4(8) ? 8_555 . 6_555 .
O(1) Ca(2) Cl(1) Ca(3) -145.3(17) ? 6_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) 77.5(2) ? 6_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) -27.9(2) ? 6_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(2) 75.3(2) ? 6_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) -26.3(2) ? 6_555 . 8_555 5_555
O(1) Ca(2) Cl(1) F(1) 24.52(17) ? 6_555 . 8_555 .
Cl(1) Ca(2) O(1) Ca(3) 176.1(7) ? 8_555 . 9_555 .
O(1) Ca(2) Cl(1) Ca(3) -7.8(15) ? 9_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) -144.93(7) ? 9_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) 109.60(8) ? 9_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(2) -147.13(12) ? 9_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) 111.25(13) ? 9_555 . 8_555 5_555
O(1) Ca(2) Cl(1) F(1) 162.06(9) ? 9_555 . 8_555 .
Cl(1) Ca(2) O(1) Ca(3) -157.7(4) ? 8_555 . 10_555 .
Cl(1) Ca(2) O(1) P(1) -65.59(17) ? 8_555 . 10_555 .
O(1) Ca(2) Cl(1) Ca(3) 128.0(16) ? 10_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) -9.22(16) ? 10_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) -114.69(12) ? 10_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(2) -11.42(18) ? 10_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) -113.04(16) ? 10_555 . 8_555 5_555
O(1) Ca(2) Cl(1) F(1) -62.23(13) ? 10_555 . 8_555 .
Cl(1) Ca(2) O(2) Ca(1) 102.1(2) ? 8_555 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) 3.1(3) ? 8_555 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) -127.4(3) ? 8_555 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -127.4(3) ? 8_555 . 3_655 .
O(2) Ca(2) Cl(1) Ca(3) 53.7(15) ? 3_655 . 8_555 .
O(2) Ca(2) Cl(1) Ca(3) -83.5(3) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(3) 171.1(3) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) Ca(2) -85.7(3) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(2) 172.7(3) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) F(1) -136.5(3) ? 3_655 . 8_555 .
Cl(1) Ca(2) O(3) P(1) -29.02(15) ? 8_555 . 5_555 5_555
Cl(1) Ca(2) O(3) Ca(3) 150.98(15) ? 8_555 . 5_555 .
O(3) Ca(2) Cl(1) Ca(3) -72.2(15) ? 5_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) 150.66(12) ? 5_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) 45.19(17) ? 5_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(2) 148.46(16) ? 5_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) 46.84(19) ? 5_555 . 8_555 5_555
O(3) Ca(2) Cl(1) F(1) 97.65(13) ? 5_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) 147.288(19) ? . . . 2_655
F(1) Ca(2) P(1) Ca(1) -147.289(19) ? . . . 7_665
F(1) Ca(2) P(1) O(1) -88.10(17) ? . . . .
F(1) Ca(2) P(1) O(1) 88.10(17) ? . . . 10_555
P(1) Ca(2) O(1) Ca(1) 93.09(7) ? . . . 7_665
P(1) Ca(2) O(1) Ca(3) 92.1(3) ? . . . .
P(1) Ca(2) O(1) Ca(3) -158.4(2) ? . . . 2_554
P(1) Ca(2) O(1) Ca(2) -155.6(3) ? . . . 2_554
O(1) Ca(2) P(1) Ca(1) -124.62(18) ? . . . 2_655
O(1) Ca(2) P(1) Ca(1) -59.19(15) ? . . . 7_665
O(1) Ca(2) P(1) Ca(3) -91.90(17) ? . . . .
O(1) Ca(2) P(1) O(2) -91.90(17) ? . . . .
O(1) Ca(2) P(1) O(3) 88.10(17) ? . . . .
O(1) Ca(2) P(1) Ca(3) -91.90(17) ? . . . 5_665
O(1) Ca(2) P(1) O(1) 176.2(3) ? . . . 10_555
P(1) Ca(2) O(1) Ca(3) 117.8(2) ? . . 6_555 6_555
P(1) Ca(2) O(1) Ca(2) 112.1(2) ? . . 6_555 6_555
P(1) Ca(2) O(1) P(1) -25.9(6) ? . . 6_555 6_555
P(1) Ca(2) O(1) Ca(3) -92.2(8) ? . . 6_555 .
O(1) Ca(2) P(1) Ca(1) 40.5(3) ? 6_555 . . 2_655
O(1) Ca(2) P(1) Ca(1) 106.0(3) ? 6_555 . . 7_665
O(1) Ca(2) P(1) Ca(3) 73.3(3) ? 6_555 . . .
O(1) Ca(2) P(1) O(1) 165.2(5) ? 6_555 . . .
O(1) Ca(2) P(1) O(2) 73.3(3) ? 6_555 . . .
O(1) Ca(2) P(1) O(3) -106.7(3) ? 6_555 . . .
O(1) Ca(2) P(1) Ca(3) 73.3(3) ? 6_555 . . 5_665
O(1) Ca(2) P(1) O(1) -18.6(2) ? 6_555 . . 10_555
P(1) Ca(2) O(1) Ca(3) 92.2(8) ? . . 9_555 .
O(1) Ca(2) P(1) Ca(1) -106.0(3) ? 9_555 . . 2_655
O(1) Ca(2) P(1) Ca(1) -40.5(3) ? 9_555 . . 7_665
O(1) Ca(2) P(1) Ca(3) -73.3(3) ? 9_555 . . .
O(1) Ca(2) P(1) O(1) 18.6(2) ? 9_555 . . .
O(1) Ca(2) P(1) O(2) -73.3(3) ? 9_555 . . .
O(1) Ca(2) P(1) O(3) 106.7(3) ? 9_555 . . .
O(1) Ca(2) P(1) Ca(3) -73.3(3) ? 9_555 . . 5_665
O(1) Ca(2) P(1) O(1) -165.2(5) ? 9_555 . . 10_555
P(1) Ca(2) O(1) Ca(3) -92.1(3) ? . . 10_555 .
O(1) Ca(2) P(1) Ca(1) 59.19(15) ? 10_555 . . 2_655
O(1) Ca(2) P(1) Ca(1) 124.62(18) ? 10_555 . . 7_665
O(1) Ca(2) P(1) Ca(3) 91.90(17) ? 10_555 . . .
O(1) Ca(2) P(1) O(1) -176.2(3) ? 10_555 . . .
O(1) Ca(2) P(1) O(2) 91.90(17) ? 10_555 . . .
O(1) Ca(2) P(1) O(3) -88.10(17) ? 10_555 . . .
O(1) Ca(2) P(1) Ca(3) 91.90(17) ? 10_555 . . 5_665
P(1) Ca(2) O(2) Ca(1) 49.49(6) ? . . 3_655 2_655
P(1) Ca(2) O(2) Ca(1) -49.49(6) ? . . 3_655 7_665
O(2) Ca(2) P(1) Ca(1) -32.712(19) ? 3_655 . . 2_655
O(2) Ca(2) P(1) Ca(1) 32.711(19) ? 3_655 . . 7_665
O(2) Ca(2) P(1) O(1) 91.90(17) ? 3_655 . . .
O(2) Ca(2) P(1) O(1) -91.90(17) ? 3_655 . . 10_555
O(3) Ca(2) P(1) Ca(1) -32.712(19) ? 5_555 . . 2_655
O(3) Ca(2) P(1) Ca(1) 32.711(19) ? 5_555 . . 7_665
O(3) Ca(2) P(1) O(1) 91.90(17) ? 5_555 . . .
O(3) Ca(2) P(1) O(1) -91.90(17) ? 5_555 . . 10_555
F(1) Ca(2) O(1) Ca(1) -176.66(3) ? . . . 7_665
F(1) Ca(2) O(1) Ca(3) -177.6(3) ? . . . .
F(1) Ca(2) O(1) P(1) 90.25(7) ? . . . .
F(1) Ca(2) O(1) Ca(3) -68.13(18) ? . . . 2_554
F(1) Ca(2) O(1) Ca(2) -65.4(2) ? . . . 2_554
O(1) Ca(2) F(1) Ca(3) 150.76(3) ? . . . .
O(1) Ca(2) F(1) Ca(3) -29.24(3) ? . . . 3_555
O(1) Ca(2) F(1) Ca(3) 150.76(3) ? . . . 5_555
O(1) Ca(2) F(1) Cl(1) -119.24(3) ? . . . .
O(1) Ca(2) F(1) Ca(2) -29.24(3) ? . . . 3_555
O(1) Ca(2) F(1) Ca(2) 150.76(3) ? . . . 5_555
O(1) Ca(2) F(1) Cl(1) 60.76(3) ? . . . 8_555
F(1) Ca(2) O(1) Ca(3) 25.15(15) ? . . 6_555 6_555
F(1) Ca(2) O(1) Ca(2) 19.46(18) ? . . 6_555 6_555
F(1) Ca(2) O(1) P(1) -118.5(3) ? . . 6_555 6_555
F(1) Ca(2) O(1) Ca(3) 175.2(7) ? . . 6_555 .
O(1) Ca(2) F(1) Ca(3) -71.52(9) ? 6_555 . . .
O(1) Ca(2) F(1) Ca(3) 108.48(9) ? 6_555 . . 3_555
O(1) Ca(2) F(1) Ca(3) -71.52(9) ? 6_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) 18.48(9) ? 6_555 . . .
O(1) Ca(2) F(1) Ca(2) 108.48(9) ? 6_555 . . 3_555
O(1) Ca(2) F(1) Ca(2) -71.52(9) ? 6_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) -161.52(9) ? 6_555 . . 8_555
F(1) Ca(2) O(1) Ca(3) -175.2(7) ? . . 9_555 .
O(1) Ca(2) F(1) Ca(3) 71.52(9) ? 9_555 . . .
O(1) Ca(2) F(1) Ca(3) -108.48(9) ? 9_555 . . 3_555
O(1) Ca(2) F(1) Ca(3) 71.52(9) ? 9_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) 161.52(9) ? 9_555 . . .
O(1) Ca(2) F(1) Ca(2) -108.48(9) ? 9_555 . . 3_555
O(1) Ca(2) F(1) Ca(2) 71.52(9) ? 9_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) -18.48(9) ? 9_555 . . 8_555
F(1) Ca(2) O(1) Ca(3) 177.6(3) ? . . 10_555 .
F(1) Ca(2) O(1) P(1) -90.25(7) ? . . 10_555 .
O(1) Ca(2) F(1) Ca(3) -150.76(3) ? 10_555 . . .
O(1) Ca(2) F(1) Ca(3) 29.24(3) ? 10_555 . . 3_555
O(1) Ca(2) F(1) Ca(3) -150.76(3) ? 10_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) -60.76(3) ? 10_555 . . .
O(1) Ca(2) F(1) Ca(2) 29.24(3) ? 10_555 . . 3_555
O(1) Ca(2) F(1) Ca(2) -150.76(3) ? 10_555 . . 5_555
O(1) Ca(2) F(1) Cl(1) 119.24(3) ? 10_555 . . 8_555
F(1) Ca(2) O(2) Ca(1) 49.49(6) ? . . 3_655 2_655
F(1) Ca(2) O(2) Ca(1) -49.49(6) ? . . 3_655 7_665
O(2) Ca(2) F(1) Cl(1) -90.0 ? 3_655 . . .
O(2) Ca(2) F(1) Cl(1) 90.0 ? 3_655 . . 8_555
O(3) Ca(2) F(1) Cl(1) 90.0 ? 5_555 . . .
O(3) Ca(2) F(1) Cl(1) -90.0 ? 5_555 . . 8_555
O(1) Ca(2) O(1) Ca(3) 128.2(5) ? . . 6_555 6_555
O(1) Ca(2) O(1) Ca(2) 122.5(6) ? . . 6_555 6_555
O(1) Ca(2) O(1) P(1) -15.4(9) ? . . 6_555 6_555
O(1) Ca(2) O(1) Ca(3) -81.8(10) ? . . 6_555 .
O(1) Ca(2) O(1) Ca(1) 72.5(6) ? 6_555 . . 7_665
O(1) Ca(2) O(1) Ca(3) 71.5(7) ? 6_555 . . .
O(1) Ca(2) O(1) P(1) -20.6(6) ? 6_555 . . .
O(1) Ca(2) O(1) Ca(3) -179.0(5) ? 6_555 . . 2_554
O(1) Ca(2) O(1) Ca(2) -176.3(6) ? 6_555 . . 2_554
O(1) Ca(2) O(1) Ca(3) 101.3(7) ? . . 9_555 .
O(1) Ca(2) O(1) Ca(1) -69.0(2) ? 9_555 . . 7_665
O(1) Ca(2) O(1) Ca(3) -70.0(3) ? 9_555 . . .
O(1) Ca(2) O(1) P(1) -162.1(2) ? 9_555 . . .
O(1) Ca(2) O(1) Ca(3) 39.5(3) ? 9_555 . . 2_554
O(1) Ca(2) O(1) Ca(2) 42.2(4) ? 9_555 . . 2_554
O(1) Ca(2) O(1) Ca(3) -94.3(4) ? . . 10_555 .
O(1) Ca(2) O(1) P(1) -2.18(18) ? . . 10_555 .
O(1) Ca(2) O(1) Ca(1) 95.27(15) ? 10_555 . . 7_665
O(1) Ca(2) O(1) Ca(3) 94.3(4) ? 10_555 . . .
O(1) Ca(2) O(1) P(1) 2.18(18) ? 10_555 . . .
O(1) Ca(2) O(1) Ca(3) -156.19(13) ? 10_555 . . 2_554
O(1) Ca(2) O(1) Ca(2) -153.5(2) ? 10_555 . . 2_554
O(1) Ca(2) O(2) Ca(1) 80.23(6) ? . . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) -18.74(10) ? . . 3_655 7_665
O(1) Ca(2) O(2) P(1) -149.25(5) ? . . 3_655 3_655
O(1) Ca(2) O(2) Ca(3) -149.25(5) ? . . 3_655 .
O(2) Ca(2) O(1) Ca(1) 15.40(6) ? 3_655 . . 7_665
O(2) Ca(2) O(1) Ca(3) 14.4(3) ? 3_655 . . .
O(2) Ca(2) O(1) P(1) -77.69(10) ? 3_655 . . .
O(2) Ca(2) O(1) Ca(3) 123.93(15) ? 3_655 . . 2_554
O(2) Ca(2) O(1) Ca(2) 126.7(2) ? 3_655 . . 2_554
O(1) Ca(2) O(3) P(1) -110.4(7) ? . . 5_555 5_555
O(1) Ca(2) O(3) Ca(3) 69.6(7) ? . . 5_555 .
O(3) Ca(2) O(1) Ca(1) -61.2(7) ? 5_555 . . 7_665
O(3) Ca(2) O(1) Ca(3) -62.2(7) ? 5_555 . . .
O(3) Ca(2) O(1) P(1) -154.3(7) ? 5_555 . . .
O(3) Ca(2) O(1) Ca(3) 47.3(9) ? 5_555 . . 2_554
O(3) Ca(2) O(1) Ca(2) 50.0(9) ? 5_555 . . 2_554
O(1) Ca(2) O(1) Ca(3) -44.3(6) ? 6_555 . 9_555 .
O(1) Ca(2) O(1) Ca(3) -105.7(4) ? 9_555 . 6_555 6_555
O(1) Ca(2) O(1) Ca(2) -111.4(4) ? 9_555 . 6_555 6_555
O(1) Ca(2) O(1) P(1) 110.7(2) ? 9_555 . 6_555 6_555
O(1) Ca(2) O(1) Ca(3) 44.3(6) ? 9_555 . 6_555 .
O(1) Ca(2) O(1) Ca(3) 70.0(3) ? 6_555 . 10_555 .
O(1) Ca(2) O(1) P(1) 162.1(2) ? 6_555 . 10_555 .
O(1) Ca(2) O(1) Ca(3) 108.67(17) ? 10_555 . 6_555 6_555
O(1) Ca(2) O(1) Ca(2) 103.0(2) ? 10_555 . 6_555 6_555
O(1) Ca(2) O(1) P(1) -35.0(5) ? 10_555 . 6_555 6_555
O(1) Ca(2) O(1) Ca(3) -101.3(7) ? 10_555 . 6_555 .
O(1) Ca(2) O(2) Ca(1) -64.02(16) ? 6_555 . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) -162.99(9) ? 6_555 . 3_655 7_665
O(1) Ca(2) O(2) P(1) 66.50(11) ? 6_555 . 3_655 3_655
O(1) Ca(2) O(2) Ca(3) 66.50(11) ? 6_555 . 3_655 .
O(2) Ca(2) O(1) Ca(3) -177.85(9) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(1) Ca(2) 176.46(14) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(1) P(1) 38.5(4) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(1) Ca(3) -27.8(6) ? 3_655 . 6_555 .
O(1) Ca(2) O(3) P(1) 102.09(19) ? 6_555 . 5_555 5_555
O(1) Ca(2) O(3) Ca(3) -77.91(19) ? 6_555 . 5_555 .
O(3) Ca(2) O(1) Ca(3) -75.68(19) ? 5_555 . 6_555 6_555
O(3) Ca(2) O(1) Ca(2) -81.4(2) ? 5_555 . 6_555 6_555
O(3) Ca(2) O(1) P(1) 140.7(2) ? 5_555 . 6_555 6_555
O(3) Ca(2) O(1) Ca(3) 74.3(6) ? 5_555 . 6_555 .
O(1) Ca(2) O(1) Ca(3) -71.5(7) ? 9_555 . 10_555 .
O(1) Ca(2) O(1) P(1) 20.6(6) ? 9_555 . 10_555 .
O(1) Ca(2) O(1) Ca(3) 81.8(10) ? 10_555 . 9_555 .
O(1) Ca(2) O(2) Ca(1) 162.99(9) ? 9_555 . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) 64.02(16) ? 9_555 . 3_655 7_665
O(1) Ca(2) O(2) P(1) -66.50(11) ? 9_555 . 3_655 3_655
O(1) Ca(2) O(2) Ca(3) -66.50(11) ? 9_555 . 3_655 .
O(2) Ca(2) O(1) Ca(3) 27.8(6) ? 3_655 . 9_555 .
O(1) Ca(2) O(3) P(1) -102.09(19) ? 9_555 . 5_555 5_555
O(1) Ca(2) O(3) Ca(3) 77.91(19) ? 9_555 . 5_555 .
O(3) Ca(2) O(1) Ca(3) -74.3(6) ? 5_555 . 9_555 .
O(1) Ca(2) O(2) Ca(1) 18.74(10) ? 10_555 . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) -80.23(6) ? 10_555 . 3_655 7_665
O(1) Ca(2) O(2) P(1) 149.25(5) ? 10_555 . 3_655 3_655
O(1) Ca(2) O(2) Ca(3) 149.25(5) ? 10_555 . 3_655 .
O(2) Ca(2) O(1) Ca(3) -14.4(3) ? 3_655 . 10_555 .
O(2) Ca(2) O(1) P(1) 77.69(10) ? 3_655 . 10_555 .
O(1) Ca(2) O(3) P(1) 110.4(7) ? 10_555 . 5_555 5_555
O(1) Ca(2) O(3) Ca(3) -69.6(7) ? 10_555 . 5_555 .
O(3) Ca(2) O(1) Ca(3) 62.2(7) ? 5_555 . 10_555 .
O(3) Ca(2) O(1) P(1) 154.3(7) ? 5_555 . 10_555 .
O(3) Ca(2) O(2) Ca(1) -130.51(6) ? 5_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) 130.51(6) ? 5_555 . 3_655 7_665
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(8) ? . . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(8) ? . . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) 0.49(7) ? . . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 120.5(2) ? . . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -119.5(2) ? . . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 60.5(2) ? . . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -179.51(7) ? . . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -59.5(2) ? . . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(8) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(8) ? . . . 5_555
Ca(3) Cl(1) F(1) Ca(2) -0.49(7) ? . . . .
Ca(3) Cl(1) F(1) Ca(2) -120.5(2) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 119.5(2) ? . . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(11) ? 3_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(8) ? 3_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -119.51(10) ? 3_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 0.5(2) ? 3_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 120.5(2) ? 3_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -59.5(2) ? 3_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) 60.49(10) ? 3_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -179.5(2) ? 3_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(8) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(3) -120.00(11) ? 3_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(2) 119.51(10) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(2) -0.5(2) ? 3_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -120.5(2) ? 3_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(8) ? 5_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(11) ? 5_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) 120.49(11) ? 5_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) -119.5(2) ? 5_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 0.5(2) ? 5_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -179.5(2) ? 5_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -59.51(11) ? 5_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 60.5(2) ? 5_555 . 7_556 6_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(8) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(3) 120.00(11) ? 5_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -120.49(11) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 119.5(2) ? 5_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -0.5(2) ? 5_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 59.51(11) ? . . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 179.51(7) ? . . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -60.49(10) ? . . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(2) ? . . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(2) ? . . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(2) ? . . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(2) ? . . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) 0.49(7) ? . . . .
Ca(2) Cl(1) F(1) Ca(3) -119.51(10) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 120.49(11) ? . . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.0(2) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(2) 120.0(2) ? . . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -0.5(2) ? 2_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 119.5(2) ? 2_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -120.5(2) ? 2_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(2) ? 2_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(3) ? 2_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(2) ? 2_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(3) ? 2_555 . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) 60.5(2) ? 2_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -59.5(2) ? 2_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -179.5(2) ? 2_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 60.0(2) ? 2_555 . . .
Ca(2) Cl(1) F(1) Ca(2) -60.0(3) ? 2_555 . . 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -60.5(2) ? 3_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 59.5(2) ? 3_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 179.5(2) ? 3_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(2) ? 3_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(3) ? 3_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(3) ? 3_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(2) ? 3_555 . 7_556 4_555
Ca(2) Cl(1) F(1) Ca(3) 120.5(2) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 0.5(2) ? 3_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -119.5(2) ? 3_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 120.0(2) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(2) -120.0(3) ? 3_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -120.49(11) ? 4_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -0.49(7) ? 4_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 119.51(10) ? 4_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(2) ? 4_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(2) ? 4_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(2) ? 4_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(2) ? 4_555 . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) -179.51(7) ? 4_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 60.49(10) ? 4_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -59.51(11) ? 4_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) 60.0(2) ? 4_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(2) -60.0(2) ? 4_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 179.5(2) ? 5_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -60.5(2) ? 5_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 59.5(2) ? 5_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(2) ? 5_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(3) ? 5_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(2) ? 5_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(3) ? 5_555 . 7_556 6_555
Ca(2) Cl(1) F(1) Ca(3) -119.5(2) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 120.5(2) ? 5_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 0.5(2) ? 5_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.0(2) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(2) 120.0(3) ? 5_555 . . 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 119.5(2) ? 6_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -120.5(2) ? 6_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -0.5(2) ? 6_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.0(2) ? 6_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) -60.0(3) ? 6_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.0(3) ? 6_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.0(2) ? 6_555 . 7_556 4_555
Ca(2) Cl(1) F(1) Ca(3) -59.5(2) ? 6_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -179.5(2) ? 6_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 60.5(2) ? 6_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(2) -60.0(2) ? 6_555 . . .
Ca(2) Cl(1) F(1) Ca(2) 60.0(3) ? 6_555 . . 5_555
Ca(1) P(1) O(1) Ca(1) -40.76(3) ? 2_655 . . 7_665
Ca(1) P(1) O(1) Ca(3) 55.47(10) ? 2_655 . . .
Ca(1) P(1) O(1) Ca(2) 61.1(2) ? 2_655 . . .
Ca(1) P(1) O(1) Ca(3) -149.11(15) ? 2_655 . . 2_554
Ca(1) P(1) O(1) Ca(2) -157.5(3) ? 2_655 . . 2_554
Ca(1) P(1) O(1) Ca(3) -96.22(10) ? 2_655 . 10_555 .
Ca(1) P(1) O(1) Ca(2) -101.9(2) ? 2_655 . 10_555 .
Ca(1) P(1) O(2) Ca(1) 93.20(9) ? 2_655 . . 7_665
Ca(1) P(1) O(2) Ca(3) -133.40(4) ? 2_655 . . 5_665
Ca(1) P(1) O(2) Ca(2) -133.40(4) ? 2_655 . . 5_665
Ca(1) P(1) O(3) Ca(1) 120.78(4) ? 2_655 . . .
Ca(1) P(1) O(3) Ca(1) -20.43(12) ? 2_655 . . 8_565
Ca(1) P(1) O(3) Ca(3) -129.83(4) ? 2_655 . . 3_555
Ca(1) P(1) O(3) Ca(2) -129.83(4) ? 2_655 . . 3_555
Ca(1) P(1) O(1) Ca(3) 96.22(10) ? 7_665 . . .
Ca(1) P(1) O(1) Ca(2) 101.9(2) ? 7_665 . . .
Ca(1) P(1) O(1) Ca(3) -108.35(15) ? 7_665 . . 2_554
Ca(1) P(1) O(1) Ca(2) -116.7(3) ? 7_665 . . 2_554
Ca(1) P(1) O(1) Ca(3) -55.47(10) ? 7_665 . 10_555 .
Ca(1) P(1) O(1) Ca(2) -61.1(2) ? 7_665 . 10_555 .
Ca(1) P(1) O(2) Ca(1) -93.20(9) ? 7_665 . . 2_655
Ca(1) P(1) O(2) Ca(3) 133.40(4) ? 7_665 . . 5_665
Ca(1) P(1) O(2) Ca(2) 133.40(4) ? 7_665 . . 5_665
Ca(1) P(1) O(3) Ca(1) 20.44(12) ? 7_665 . . .
Ca(1) P(1) O(3) Ca(1) -120.78(4) ? 7_665 . . 8_565
Ca(1) P(1) O(3) Ca(3) 129.83(4) ? 7_665 . . 3_555
Ca(1) P(1) O(3) Ca(2) 129.83(4) ? 7_665 . . 3_555
Ca(3) P(1) O(1) Ca(1) -96.22(10) ? . . . 7_665
Ca(3) P(1) O(1) Ca(2) 5.6(2) ? . . . .
Ca(3) P(1) O(1) Ca(3) 155.4(2) ? . . . 2_554
Ca(3) P(1) O(1) Ca(2) 147.1(3) ? . . . 2_554
Ca(3) P(1) O(1) Ca(2) -5.6(2) ? . . 10_555 .
Ca(3) P(1) O(2) Ca(1) -46.60(4) ? . . . 2_655
Ca(3) P(1) O(2) Ca(1) 46.60(4) ? . . . 7_665
Ca(3) P(1) O(3) Ca(1) -109.39(8) ? . . . .
Ca(3) P(1) O(3) Ca(1) 109.39(8) ? . . . 8_565
Ca(3) P(1) O(1) Ca(1) 44.02(9) ? 5_665 . . 7_665
Ca(3) P(1) O(1) Ca(3) 140.24(11) ? 5_665 . . .
Ca(3) P(1) O(1) Ca(2) 145.9(2) ? 5_665 . . .
Ca(3) P(1) O(1) Ca(3) -64.34(19) ? 5_665 . . 2_554
Ca(3) P(1) O(1) Ca(2) -72.7(3) ? 5_665 . . 2_554
Ca(3) P(1) O(1) Ca(3) -140.24(11) ? 5_665 . 10_555 .
Ca(3) P(1) O(1) Ca(2) -145.9(2) ? 5_665 . 10_555 .
Ca(3) P(1) O(2) Ca(1) 133.40(4) ? 5_665 . . 2_655
Ca(3) P(1) O(2) Ca(1) -133.40(4) ? 5_665 . . 7_665
Ca(3) P(1) O(3) Ca(1) 70.61(8) ? 5_665 . . .
Ca(3) P(1) O(3) Ca(1) -70.61(8) ? 5_665 . . 8_565
Ca(2) P(1) O(1) Ca(1) -101.9(2) ? . . . 7_665
Ca(2) P(1) O(1) Ca(3) -5.6(2) ? . . . .
Ca(2) P(1) O(1) Ca(3) 149.8(3) ? . . . 2_554
Ca(2) P(1) O(1) Ca(2) 141.4(4) ? . . . 2_554
Ca(2) P(1) O(1) Ca(3) 5.6(2) ? . . 10_555 .
Ca(2) P(1) O(2) Ca(1) -46.60(4) ? . . . 2_655
Ca(2) P(1) O(2) Ca(1) 46.60(4) ? . . . 7_665
Ca(2) P(1) O(3) Ca(1) -109.39(8) ? . . . .
Ca(2) P(1) O(3) Ca(1) 109.39(8) ? . . . 8_565
O(1) P(1) O(1) Ca(3) 8.88(12) ? . . 10_555 .
O(1) P(1) O(1) Ca(2) 3.2(2) ? . . 10_555 .
O(1) P(1) O(1) Ca(1) -105.10(7) ? 10_555 . . 7_665
O(1) P(1) O(1) Ca(3) -8.88(12) ? 10_555 . . .
O(1) P(1) O(1) Ca(2) -3.2(2) ? 10_555 . . .
O(1) P(1) O(1) Ca(3) 146.55(16) ? 10_555 . . 2_554
O(1) P(1) O(1) Ca(2) 138.2(3) ? 10_555 . . 2_554
O(1) P(1) O(2) Ca(1) -104.22(6) ? . . . 2_655
O(1) P(1) O(2) Ca(1) -11.03(8) ? . . . 7_665
O(1) P(1) O(2) Ca(3) 122.38(5) ? . . . 5_665
O(1) P(1) O(2) Ca(2) 122.38(5) ? . . . 5_665
O(2) P(1) O(1) Ca(1) 9.33(7) ? . . . 7_665
O(2) P(1) O(1) Ca(3) 105.55(11) ? . . . .
O(2) P(1) O(1) Ca(2) 111.2(2) ? . . . .
O(2) P(1) O(1) Ca(3) -99.03(18) ? . . . 2_554
O(2) P(1) O(1) Ca(2) -107.4(3) ? . . . 2_554
O(1) P(1) O(3) Ca(1) -48.77(10) ? . . . .
O(1) P(1) O(3) Ca(1) 170.01(7) ? . . . 8_565
O(1) P(1) O(3) Ca(3) 60.62(4) ? . . . 3_555
O(1) P(1) O(3) Ca(2) 60.62(4) ? . . . 3_555
O(3) P(1) O(1) Ca(1) 131.44(5) ? . . . 7_665
O(3) P(1) O(1) Ca(3) -132.33(10) ? . . . .
O(3) P(1) O(1) Ca(2) -126.7(2) ? . . . .
O(3) P(1) O(1) Ca(3) 23.09(17) ? . . . 2_554
O(3) P(1) O(1) Ca(2) 14.7(3) ? . . . 2_554
O(1) P(1) O(2) Ca(1) 11.02(8) ? 10_555 . . 2_655
O(1) P(1) O(2) Ca(1) 104.22(6) ? 10_555 . . 7_665
O(1) P(1) O(2) Ca(3) -122.38(5) ? 10_555 . . 5_665
O(1) P(1) O(2) Ca(2) -122.38(5) ? 10_555 . . 5_665
O(2) P(1) O(1) Ca(3) -105.55(11) ? . . 10_555 .
O(2) P(1) O(1) Ca(2) -111.2(2) ? . . 10_555 .
O(1) P(1) O(3) Ca(1) -170.01(7) ? 10_555 . . .
O(1) P(1) O(3) Ca(1) 48.78(10) ? 10_555 . . 8_565
O(1) P(1) O(3) Ca(3) -60.62(4) ? 10_555 . . 3_555
O(1) P(1) O(3) Ca(2) -60.62(4) ? 10_555 . . 3_555
O(3) P(1) O(1) Ca(3) 132.33(10) ? . . 10_555 .
O(3) P(1) O(1) Ca(2) 126.7(2) ? . . 10_555 .
O(2) P(1) O(3) Ca(1) 70.61(8) ? . . . .
O(2) P(1) O(3) Ca(1) -70.61(8) ? . . . 8_565
O(3) P(1) O(2) Ca(1) 133.40(4) ? . . . 2_655
O(3) P(1) O(2) Ca(1) -133.40(4) ? . . . 7_665

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Ca(3) Ca(2) 0.252(12) ? . .
Ca(2) Ca(3) 0.252(12) ? . .
Ca(2) Cl(1) 2.558(10) ? . .
Ca(2) Cl(1) 3.152(8) ? . 2_554
Ca(2) Cl(1) 3.152(8) ? . 7_556
Ca(2) Cl(1) 2.558(10) ? . 8_555
Ca(2) P(1) 3.086(3) ? . .
Ca(2) P(1) 3.421(3) ? . 5_555
Ca(2) F(1) 2.257(11) ? . .
Ca(2) O(1) 2.515(2) ? . .
Ca(2) O(1) 3.467(5) ? . 5_555
Ca(2) O(1) 2.399(3) ? . 6_555
Ca(2) O(1) 3.467(5) ? . 8_555
Ca(2) O(1) 2.399(3) ? . 9_555
Ca(2) O(1) 2.515(2) ? . 10_555
Ca(2) O(2) 2.491(10) ? . 3_655
Ca(2) O(3) 3.594(11) ? . 3_655
Ca(2) O(3) 2.920(4) ? . 5_555
Cl(1) Ca(2) 2.558(10) ? . .
Cl(1) Ca(2) 3.152(4) ? . 2_555
Cl(1) Ca(2) 2.558(5) ? . 3_555
Cl(1) Ca(2) 3.152(8) ? . 4_555
Cl(1) Ca(2) 2.558(5) ? . 5_555
Cl(1) Ca(2) 3.152(5) ? . 6_555
Cl(1) O(1) 3.0383(16) ? . 12_555
P(1) Ca(2) 3.086(3) ? . .
P(1) Ca(2) 3.421(10) ? . 3_555
F(1) Ca(2) 2.257(11) ? . .
F(1) Ca(2) 2.257(6) ? . 3_555
F(1) Ca(2) 2.257(5) ? . 5_555
F(1) O(1) 3.2765(15) ? . 12_555
O(1) Ca(2) 2.515(2) ? . .
O(1) Ca(2) 2.399(4) ? . 2_554
O(1) Ca(2) 3.467(10) ? . 3_555
O(1) O(3) 3.0137(19) ? . 6_554
O(2) Ca(2) 2.491(3) ? . 5_665
O(2) O(1) 3.2075(17) ? . 4_665
O(2) O(1) 2.9611(17) ? . 8_665
O(2) O(3) 3.4599(3) ? . 4_665
O(3) Ca(2) 2.920(8) ? . 3_555
O(3) Ca(2) 3.594(8) ? . 5_665
O(3) O(1) 3.4856(14) ? . 4_665
O(3) O(2) 3.4599(3) ? . 4_665


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

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

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

#     End of CIF

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

