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 Cl0.56 F0.44 O12 P3 '
_chemical_formula_moiety               'Ca5 Cl0.56 F0.44 O12 P3 '
_chemical_formula_weight               513.53
_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                         9.52321(17)
_cell_length_b                         9.52321(17)
_cell_length_c                         6.83960(12)
_cell_angle_alpha                      90.0000
_cell_angle_beta                       90.0000
_cell_angle_gamma                      120.0000
_cell_volume                           537.190(17)
_cell_formula_units_Z                  2
_cell_measurement_reflns_used          6537
_cell_measurement_theta_min            8.4
_cell_measurement_theta_max            71.6
_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          3.175
_exptl_crystal_density_meas            ?
_exptl_crystal_density_method         'not measured'
_exptl_crystal_F_000                   508.96
_exptl_absorpt_coefficient_mu          28.145
_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        0.001
_exptl_absorpt_correction_T_max        0.004

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

# 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                  12505
_diffrn_reflns_av_R_equivalents        0.097
_diffrn_reflns_theta_max               71.57
_diffrn_measured_fraction_theta_max    0.974
_diffrn_reflns_theta_full              71.57
_diffrn_measured_fraction_theta_full   0.974
_diffrn_reflns_limit_h_min             -11
_diffrn_reflns_limit_h_max             11
_diffrn_reflns_limit_k_min             -11
_diffrn_reflns_limit_k_max             11
_diffrn_reflns_limit_l_min             -7
_diffrn_reflns_limit_l_max             6

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

# 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                   376
_reflns_number_gt                      11822
_reflns_threshold_expression           F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef       F
_refine_ls_R_factor_gt                 0.0529
_refine_ls_wR_factor_ref               0.0620
_refine_ls_hydrogen_treatment          ?
_refine_ls_number_reflns               11835
_refine_ls_number_parameters           43
_refine_ls_goodness_of_fit_ref         1.102
_refine_ls_weighting_scheme            calc
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    15.2450    -3.0162    11.3770
;
_refine_ls_shift/su_max                0.0000
_refine_diff_density_max               26.70
_refine_diff_density_min               -22.70
_refine_ls_extinction_method           
   'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_extinction_coef             40.5(6)

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 0.00216(5) 0.00361(8) Uani 1.00 3 d S . .
 Ca(2) Ca 0.2388(3) -0.00312(9) 0.2500 0.00327(9) Uiso 0.44 2 d SP . .
 Ca(3) Ca 0.2623(2) -0.00324(7) 0.2500 0.00327(9) Uiso 0.57 2 d SP . .
 Cl(1) Cl 0.0000 0.0000 0.4126(3) 0.0258(5) Uani 0.28 3 d SP . .
 P(1) P 0.40252(2) 0.37112(3) 0.2500 0.00032(8) Uani 1.00 2 d S . .
 F(1) F 0.0000 0.0000 0.2500 0.0313(10) Uani 0.44 6 d SP . .
 O(1) O 0.33431(8) 0.48716(7) 0.2500 0.0035(2) Uani 1.00 2 d S . .
 O(2) O 0.58881(8) 0.46519(7) 0.2500 0.0092(2) Uani 1.00 2 d S . .
 O(3) O 0.34816(7) 0.26230(5) 0.06975(11) 0.01462(18) Uani 1.00 1 d . . .


loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
 Ca(1) 0.00478(11) 0.00478(11) 0.0012(2) 0.00235(5) 0.0000 0.0000
 Cl(1) 0.0044(3) 0.0044(3) 0.068(2) 0.00218(18) 0.0000 0.0000
 P(1) 0.00037(13) -0.00028(12) 0.0022(2) 0.00106(9) 0.0000 0.0000
 F(1) 0.0022(8) 0.0022(8) 0.090(4) 0.0011(4) 0.0000 0.0000
 O(1) 0.0093(3) 0.0043(3) 0.0019(6) 0.0072(2) 0.0000 0.0000
 O(2) 0.0011(3) 0.0072(3) 0.0189(7) 0.0017(2) 0.0000 0.0000
 O(3) 0.0309(3) 0.0117(2) 0.0106(5) 0.0176(2) -0.0154(3) -0.0100(2)

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

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

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

# MOLECULAR GEOMETRY

_geom_special_details
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ca(1) Ca(1) 3.4493(4) yes . 8_564
Ca(1) Ca(1) 3.3903(4) yes . 8_565
Ca(1) P(1) 3.2151(2) yes . 2_554
Ca(1) P(1) 3.2152(2) yes . 4_664
Ca(1) P(1) 3.2151(3) yes . 6_564
Ca(1) O(1) 2.4108(5) yes . .
Ca(1) O(1) 2.4108(4) yes . 3_665
Ca(1) O(1) 2.4107(6) yes . 5_565
Ca(1) O(2) 2.4560(5) yes . 2_554
Ca(1) O(2) 2.4561(6) yes . 4_664
Ca(1) O(2) 2.4560(4) yes . 6_564
Ca(1) O(3) 2.8015(6) yes . 7_665
Ca(1) O(3) 2.8014(6) yes . 9_565
Ca(1) O(3) 2.8014(4) yes . 11_555
Ca(2) Ca(3) 0.224(4) yes . .
Ca(2) Cl(1) 2.545(3) yes . .
Ca(2) Cl(1) 3.251(2) yes . 2_554
Ca(2) Cl(1) 3.251(2) yes . 7_556
Ca(2) Cl(1) 2.545(3) yes . 8_555
Ca(2) P(1) 3.0945(8) yes . .
Ca(2) F(1) 2.289(3) yes . .
Ca(2) O(1) 2.8347(14) yes . 5_555
Ca(2) O(2) 2.449(3) yes . 3_655
Ca(2) O(3) 2.5221(9) yes . .
Ca(2) O(3) 2.3727(12) yes . 6_555
Ca(2) O(3) 2.3727(12) yes . 9_555
Ca(2) O(3) 2.5221(9) yes . 10_555
Ca(3) Cl(1) 2.749(2) yes . .
Ca(3) Cl(1) 2.749(2) yes . 8_555
Ca(3) P(1) 3.1197(7) yes . .
Ca(3) P(1) 3.338(2) yes . 3_655
Ca(3) F(1) 2.514(2) yes . .
Ca(3) O(1) 2.7821(10) yes . 5_555
Ca(3) O(2) 2.249(2) yes . 3_655
Ca(3) O(3) 2.5526(9) yes . .
Ca(3) O(3) 2.3241(8) yes . 6_555
Ca(3) O(3) 2.3241(8) yes . 9_555
Ca(3) O(3) 2.5526(9) yes . 10_555
Cl(1) Cl(1) 1.196(3) yes . 7_556
Cl(1) Cl(1) 2.224(3) yes . 8_555
Cl(1) F(1) 1.112(2) yes . .
P(1) O(1) 1.5365(9) yes . .
P(1) O(2) 1.5364(6) yes . .
P(1) O(3) 1.5249(6) yes . .
P(1) O(3) 1.5249(6) yes . 10_555

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Ca(1) Ca(1) Ca(1) 180.0000 yes 8_564 . 8_565
Ca(1) Ca(1) P(1) 57.560(5) yes 8_564 . 2_554
Ca(1) Ca(1) P(1) 57.558(5) yes 8_564 . 4_664
Ca(1) Ca(1) P(1) 57.560(5) yes 8_564 . 6_564
Ca(1) Ca(1) O(1) 134.679(14) yes 8_564 . .
Ca(1) Ca(1) O(1) 134.680(10) yes 8_564 . 3_665
Ca(1) Ca(1) O(1) 134.683(15) yes 8_564 . 5_565
Ca(1) Ca(1) O(2) 45.395(13) yes 8_564 . 2_554
Ca(1) Ca(1) O(2) 45.394(15) yes 8_564 . 4_664
Ca(1) Ca(1) O(2) 45.394(10) yes 8_564 . 6_564
Ca(1) Ca(1) O(3) 79.887(16) yes 8_564 . 7_665
Ca(1) Ca(1) O(3) 79.889(16) yes 8_564 . 9_565
Ca(1) Ca(1) O(3) 79.889(16) yes 8_564 . 11_555
Ca(1) Ca(1) P(1) 122.442(5) yes 8_565 . 2_554
Ca(1) Ca(1) P(1) 122.438(5) yes 8_565 . 4_664
Ca(1) Ca(1) P(1) 122.442(5) yes 8_565 . 6_564
Ca(1) Ca(1) O(1) 45.320(14) yes 8_565 . .
Ca(1) Ca(1) O(1) 45.319(10) yes 8_565 . 3_665
Ca(1) Ca(1) O(1) 45.321(15) yes 8_565 . 5_565
Ca(1) Ca(1) O(2) 134.608(13) yes 8_565 . 2_554
Ca(1) Ca(1) O(2) 134.603(15) yes 8_565 . 4_664
Ca(1) Ca(1) O(2) 134.606(10) yes 8_565 . 6_564
Ca(1) Ca(1) O(3) 100.110(16) yes 8_565 . 7_665
Ca(1) Ca(1) O(3) 100.113(16) yes 8_565 . 9_565
Ca(1) Ca(1) O(3) 100.112(16) yes 8_565 . 11_555
P(1) Ca(1) P(1) 93.920(8) yes 2_554 . 4_664
P(1) Ca(1) P(1) 93.921(8) yes 2_554 . 6_564
P(1) Ca(1) O(1) 98.129(11) yes 2_554 . .
P(1) Ca(1) O(1) 166.648(16) yes 2_554 . 3_665
P(1) Ca(1) O(1) 90.985(11) yes 2_554 . 5_565
P(1) Ca(1) O(2) 27.499(15) yes 2_554 . 2_554
P(1) Ca(1) O(2) 66.659(15) yes 2_554 . 4_664
P(1) Ca(1) O(2) 98.810(14) yes 2_554 . 6_564
P(1) Ca(1) O(3) 122.107(15) yes 2_554 . 7_665
P(1) Ca(1) O(3) 93.806(13) yes 2_554 . 9_565
P(1) Ca(1) O(3) 28.308(15) yes 2_554 . 11_555
P(1) Ca(1) P(1) 93.920(8) yes 4_664 . 6_564
P(1) Ca(1) O(1) 90.983(17) yes 4_664 . .
P(1) Ca(1) O(1) 98.128(17) yes 4_664 . 3_665
P(1) Ca(1) O(1) 166.646(19) yes 4_664 . 5_565
P(1) Ca(1) O(2) 98.809(18) yes 4_664 . 2_554
P(1) Ca(1) O(2) 27.499(13) yes 4_664 . 4_664
P(1) Ca(1) O(2) 66.66(2) yes 4_664 . 6_564
P(1) Ca(1) O(3) 28.307(13) yes 4_664 . 7_665
P(1) Ca(1) O(3) 122.109(16) yes 4_664 . 9_565
P(1) Ca(1) O(3) 93.804(16) yes 4_664 . 11_555
P(1) Ca(1) O(1) 166.648(14) yes 6_564 . .
P(1) Ca(1) O(1) 90.986(14) yes 6_564 . 3_665
P(1) Ca(1) O(1) 98.131(16) yes 6_564 . 5_565
P(1) Ca(1) O(2) 66.660(14) yes 6_564 . 2_554
P(1) Ca(1) O(2) 98.810(16) yes 6_564 . 4_664
P(1) Ca(1) O(2) 27.50(2) yes 6_564 . 6_564
P(1) Ca(1) O(3) 93.805(13) yes 6_564 . 7_665
P(1) Ca(1) O(3) 28.308(14) yes 6_564 . 9_565
P(1) Ca(1) O(3) 122.109(17) yes 6_564 . 11_555
O(1) Ca(1) O(1) 76.017(19) yes . . 3_665
O(1) Ca(1) O(1) 76.02(2) yes . . 5_565
O(1) Ca(1) O(2) 124.789(16) yes . . 2_554
O(1) Ca(1) O(2) 91.261(19) yes . . 4_664
O(1) Ca(1) O(2) 152.71(2) yes . . 6_564
O(1) Ca(1) O(3) 84.67(2) yes . . 7_665
O(1) Ca(1) O(3) 143.92(2) yes . . 9_565
O(1) Ca(1) O(3) 69.824(18) yes . . 11_555
O(1) Ca(1) O(1) 76.02(2) yes 3_665 . 5_565
O(1) Ca(1) O(2) 152.71(2) yes 3_665 . 2_554
O(1) Ca(1) O(2) 124.79(2) yes 3_665 . 4_664
O(1) Ca(1) O(2) 91.263(12) yes 3_665 . 6_564
O(1) Ca(1) O(3) 69.82(2) yes 3_665 . 7_665
O(1) Ca(1) O(3) 84.67(2) yes 3_665 . 9_565
O(1) Ca(1) O(3) 143.92(2) yes 3_665 . 11_555
O(1) Ca(1) O(2) 91.264(18) yes 5_565 . 2_554
O(1) Ca(1) O(2) 152.711(16) yes 5_565 . 4_664
O(1) Ca(1) O(2) 124.79(2) yes 5_565 . 6_564
O(1) Ca(1) O(3) 143.92(2) yes 5_565 . 7_665
O(1) Ca(1) O(3) 69.83(2) yes 5_565 . 9_565
O(1) Ca(1) O(3) 84.669(19) yes 5_565 . 11_555
O(2) Ca(1) O(2) 76.13(2) yes 2_554 . 4_664
O(2) Ca(1) O(2) 76.133(18) yes 2_554 . 6_564
O(2) Ca(1) O(3) 124.64(2) yes 2_554 . 7_665
O(2) Ca(1) O(3) 68.21(2) yes 2_554 . 9_565
O(2) Ca(1) O(3) 55.46(2) yes 2_554 . 11_555
O(2) Ca(1) O(2) 76.13(2) yes 4_664 . 6_564
O(2) Ca(1) O(3) 55.456(19) yes 4_664 . 7_665
O(2) Ca(1) O(3) 124.64(2) yes 4_664 . 9_565
O(2) Ca(1) O(3) 68.206(19) yes 4_664 . 11_555
O(2) Ca(1) O(3) 68.21(2) yes 6_564 . 7_665
O(2) Ca(1) O(3) 55.46(2) yes 6_564 . 9_565
O(2) Ca(1) O(3) 124.64(2) yes 6_564 . 11_555
O(3) Ca(1) O(3) 116.986(15) yes 7_665 . 9_565
O(3) Ca(1) O(3) 116.984(18) yes 7_665 . 11_555
O(3) Ca(1) O(3) 116.987(18) yes 9_565 . 11_555
Ca(3) Ca(2) Cl(1) 154.09(5) yes . . .
Ca(3) Ca(2) Cl(1) 134.77(5) yes . . 2_554
Ca(3) Ca(2) Cl(1) 134.77(5) yes . . 7_556
Ca(3) Ca(2) Cl(1) 154.09(5) yes . . 8_555
Ca(3) Ca(2) P(1) 94.4(2) yes . . .
Ca(3) Ca(2) F(1) 179.6(2) yes . . .
Ca(3) Ca(2) O(1) 74.2(2) yes . . 5_555
Ca(3) Ca(2) O(2) 25.5(2) yes . . 3_655
Ca(3) Ca(2) O(3) 95.3(2) yes . . .
Ca(3) Ca(2) O(3) 74.84(11) yes . . 6_555
Ca(3) Ca(2) O(3) 74.84(11) yes . . 9_555
Ca(3) Ca(2) O(3) 95.3(2) yes . . 10_555
Cl(1) Ca(2) Cl(1) 71.13(9) yes . . 2_554
Cl(1) Ca(2) Cl(1) 19.33(5) yes . . 7_556
Cl(1) Ca(2) Cl(1) 51.81(9) yes . . 8_555
Cl(1) Ca(2) P(1) 85.70(6) yes . . .
Cl(1) Ca(2) F(1) 25.90(5) yes . . .
Cl(1) Ca(2) O(1) 104.50(5) yes . . 5_555
Cl(1) Ca(2) O(2) 144.01(3) yes . . 3_655
Cl(1) Ca(2) O(3) 97.20(9) yes . . .
Cl(1) Ca(2) O(3) 80.46(6) yes . . 6_555
Cl(1) Ca(2) O(3) 129.77(11) yes . . 9_555
Cl(1) Ca(2) O(3) 72.44(6) yes . . 10_555
Cl(1) Ca(2) Cl(1) 90.46(9) yes 2_554 . 7_556
Cl(1) Ca(2) Cl(1) 19.33(5) yes 2_554 . 8_555
Cl(1) Ca(2) P(1) 86.64(4) yes 2_554 . .
Cl(1) Ca(2) F(1) 45.23(5) yes 2_554 . .
Cl(1) Ca(2) O(1) 101.30(4) yes 2_554 . 5_555
Cl(1) Ca(2) O(2) 129.31(3) yes 2_554 . 3_655
Cl(1) Ca(2) O(3) 65.41(4) yes 2_554 . .
Cl(1) Ca(2) O(3) 147.13(11) yes 2_554 . 6_555
Cl(1) Ca(2) O(3) 62.04(4) yes 2_554 . 9_555
Cl(1) Ca(2) O(3) 106.14(8) yes 2_554 . 10_555
Cl(1) Ca(2) Cl(1) 71.13(9) yes 7_556 . 8_555
Cl(1) Ca(2) P(1) 86.64(4) yes 7_556 . .
Cl(1) Ca(2) F(1) 45.23(5) yes 7_556 . .
Cl(1) Ca(2) O(1) 101.30(4) yes 7_556 . 5_555
Cl(1) Ca(2) O(2) 129.31(3) yes 7_556 . 3_655
Cl(1) Ca(2) O(3) 106.14(8) yes 7_556 . .
Cl(1) Ca(2) O(3) 62.04(4) yes 7_556 . 6_555
Cl(1) Ca(2) O(3) 147.13(11) yes 7_556 . 9_555
Cl(1) Ca(2) O(3) 65.41(4) yes 7_556 . 10_555
Cl(1) Ca(2) P(1) 85.70(6) yes 8_555 . .
Cl(1) Ca(2) F(1) 25.90(5) yes 8_555 . .
Cl(1) Ca(2) O(1) 104.50(5) yes 8_555 . 5_555
Cl(1) Ca(2) O(2) 144.01(3) yes 8_555 . 3_655
Cl(1) Ca(2) O(3) 72.44(6) yes 8_555 . .
Cl(1) Ca(2) O(3) 129.77(11) yes 8_555 . 6_555
Cl(1) Ca(2) O(3) 80.46(6) yes 8_555 . 9_555
Cl(1) Ca(2) O(3) 97.20(9) yes 8_555 . 10_555
P(1) Ca(2) F(1) 85.22(6) yes . . .
P(1) Ca(2) O(1) 168.62(13) yes . . 5_555
P(1) Ca(2) O(2) 68.87(3) yes . . 3_655
P(1) Ca(2) O(3) 29.306(17) yes . . .
P(1) Ca(2) O(3) 107.80(2) yes . . 6_555
P(1) Ca(2) O(3) 107.80(2) yes . . 9_555
P(1) Ca(2) O(3) 29.306(17) yes . . 10_555
F(1) Ca(2) O(1) 106.16(7) yes . . 5_555
F(1) Ca(2) O(2) 154.10(5) yes . . 3_655
F(1) Ca(2) O(3) 84.37(8) yes . . .
F(1) Ca(2) O(3) 105.28(8) yes . . 6_555
F(1) Ca(2) O(3) 105.28(8) yes . . 9_555
F(1) Ca(2) O(3) 84.37(8) yes . . 10_555
O(1) Ca(2) O(2) 99.75(10) yes 5_555 . 3_655
O(1) Ca(2) O(3) 149.31(5) yes 5_555 . .
O(1) Ca(2) O(3) 69.71(3) yes 5_555 . 6_555
O(1) Ca(2) O(3) 69.71(3) yes 5_555 . 9_555
O(1) Ca(2) O(3) 149.31(5) yes 5_555 . 10_555
O(2) Ca(2) O(3) 73.11(5) yes 3_655 . .
O(2) Ca(2) O(3) 83.53(8) yes 3_655 . 6_555
O(2) Ca(2) O(3) 83.53(8) yes 3_655 . 9_555
O(2) Ca(2) O(3) 73.11(5) yes 3_655 . 10_555
O(3) Ca(2) O(3) 136.31(4) yes . . 6_555
O(3) Ca(2) O(3) 79.75(2) yes . . 9_555
O(3) Ca(2) O(3) 58.52(2) yes . . 10_555
O(3) Ca(2) O(3) 134.36(11) yes 6_555 . 9_555
O(3) Ca(2) O(3) 79.75(2) yes 6_555 . 10_555
O(3) Ca(2) O(3) 136.31(4) yes 9_555 . 10_555
Ca(2) Ca(3) Cl(1) 23.86(4) yes . . .
Ca(2) Ca(3) Cl(1) 23.86(4) yes . . 8_555
Ca(2) Ca(3) P(1) 81.5(2) yes . . .
Ca(2) Ca(3) P(1) 174.8(2) yes . . 3_655
Ca(2) Ca(3) F(1) 0.4(2) yes . . .
Ca(2) Ca(3) O(1) 101.3(2) yes . . 5_555
Ca(2) Ca(3) O(2) 152.0(2) yes . . 3_655
Ca(2) Ca(3) O(3) 79.7(2) yes . . .
Ca(2) Ca(3) O(3) 99.81(9) yes . . 6_555
Ca(2) Ca(3) O(3) 99.81(9) yes . . 9_555
Ca(2) Ca(3) O(3) 79.7(2) yes . . 10_555
Cl(1) Ca(3) Cl(1) 47.72(7) yes . . 8_555
Cl(1) Ca(3) P(1) 81.91(4) yes . . .
Cl(1) Ca(3) P(1) 155.55(4) yes . . 3_655
Cl(1) Ca(3) F(1) 23.86(4) yes . . .
Cl(1) Ca(3) O(1) 100.66(5) yes . . 5_555
Cl(1) Ca(3) O(2) 143.61(3) yes . . 3_655
Cl(1) Ca(3) O(3) 91.54(7) yes . . .
Cl(1) Ca(3) O(3) 77.11(6) yes . . 6_555
Cl(1) Ca(3) O(3) 122.56(9) yes . . 9_555
Cl(1) Ca(3) O(3) 68.66(5) yes . . 10_555
Cl(1) Ca(3) P(1) 81.91(4) yes 8_555 . .
Cl(1) Ca(3) P(1) 155.55(4) yes 8_555 . 3_655
Cl(1) Ca(3) F(1) 23.86(4) yes 8_555 . .
Cl(1) Ca(3) O(1) 100.66(5) yes 8_555 . 5_555
Cl(1) Ca(3) O(2) 143.61(3) yes 8_555 . 3_655
Cl(1) Ca(3) O(3) 68.66(5) yes 8_555 . .
Cl(1) Ca(3) O(3) 122.56(9) yes 8_555 . 6_555
Cl(1) Ca(3) O(3) 77.11(6) yes 8_555 . 9_555
Cl(1) Ca(3) O(3) 91.54(7) yes 8_555 . 10_555
P(1) Ca(3) P(1) 93.34(4) yes . . 3_655
P(1) Ca(3) F(1) 81.14(5) yes . . .
P(1) Ca(3) O(1) 177.18(10) yes . . 5_555
P(1) Ca(3) O(2) 70.52(2) yes . . 3_655
P(1) Ca(3) O(3) 29.050(17) yes . . .
P(1) Ca(3) O(3) 108.325(18) yes . . 6_555
P(1) Ca(3) O(3) 108.325(18) yes . . 9_555
P(1) Ca(3) O(3) 29.050(17) yes . . 10_555
P(1) Ca(3) F(1) 174.48(2) yes 3_655 . .
P(1) Ca(3) O(1) 83.85(6) yes 3_655 . 5_555
P(1) Ca(3) O(2) 22.81(3) yes 3_655 . 3_655
P(1) Ca(3) O(3) 95.80(5) yes 3_655 . .
P(1) Ca(3) O(3) 81.75(6) yes 3_655 . 6_555
P(1) Ca(3) O(3) 81.75(6) yes 3_655 . 9_555
P(1) Ca(3) O(3) 95.80(5) yes 3_655 . 10_555
F(1) Ca(3) O(1) 101.67(5) yes . . 5_555
F(1) Ca(3) O(2) 151.67(4) yes . . 3_655
F(1) Ca(3) O(3) 79.38(6) yes . . .
F(1) Ca(3) O(3) 99.92(6) yes . . 6_555
F(1) Ca(3) O(3) 99.92(6) yes . . 9_555
F(1) Ca(3) O(3) 79.38(6) yes . . 10_555
O(1) Ca(3) O(2) 106.66(9) yes 5_555 . 3_655
O(1) Ca(3) O(3) 151.117(17) yes 5_555 . .
O(1) Ca(3) O(3) 71.33(2) yes 5_555 . 6_555
O(1) Ca(3) O(3) 71.33(2) yes 5_555 . 9_555
O(1) Ca(3) O(3) 151.117(17) yes 5_555 . 10_555
O(2) Ca(3) O(3) 75.87(3) yes 3_655 . .
O(2) Ca(3) O(3) 89.24(7) yes 3_655 . 6_555
O(2) Ca(3) O(3) 89.24(7) yes 3_655 . 9_555
O(2) Ca(3) O(3) 75.87(3) yes 3_655 . 10_555
O(3) Ca(3) O(3) 137.36(2) yes . . 6_555
O(3) Ca(3) O(3) 80.02(2) yes . . 9_555
O(3) Ca(3) O(3) 57.76(2) yes . . 10_555
O(3) Ca(3) O(3) 140.43(7) yes 6_555 . 9_555
O(3) Ca(3) O(3) 80.02(2) yes 6_555 . 10_555
O(3) Ca(3) O(3) 137.36(2) yes 9_555 . 10_555
Ca(2) Cl(1) Ca(2) 89.62(6) yes . . 2_555
Ca(2) Cl(1) Ca(2) 102.34(8) yes . . 3_555
Ca(2) Cl(1) Ca(2) 160.67(9) yes . . 4_555
Ca(2) Cl(1) Ca(2) 102.34(8) yes . . 5_555
Ca(2) Cl(1) Ca(2) 89.62(6) yes . . 6_555
Ca(2) Cl(1) Ca(3) 2.04(4) yes . . .
Ca(2) Cl(1) Ca(3) 103.59(7) yes . . 3_555
Ca(2) Cl(1) Ca(3) 103.54(7) yes . . 5_555
Ca(2) Cl(1) Cl(1) 115.90(5) yes . . 7_556
Ca(2) Cl(1) Cl(1) 64.10(5) yes . . 8_555
Ca(2) Cl(1) F(1) 64.10(5) yes . . .
Ca(2) Cl(1) Ca(2) 89.62(4) yes 2_555 . 3_555
Ca(2) Cl(1) Ca(2) 75.16(7) yes 2_555 . 4_555
Ca(2) Cl(1) Ca(2) 160.67(7) yes 2_555 . 5_555
Ca(2) Cl(1) Ca(2) 75.16(5) yes 2_555 . 6_555
Ca(2) Cl(1) Ca(3) 87.98(6) yes 2_555 . .
Ca(2) Cl(1) Ca(3) 88.02(4) yes 2_555 . 3_555
Ca(2) Cl(1) Ca(3) 158.63(7) yes 2_555 . 5_555
Ca(2) Cl(1) Cl(1) 44.77(3) yes 2_555 . 7_556
Ca(2) Cl(1) Cl(1) 135.23(3) yes 2_555 . 8_555
Ca(2) Cl(1) F(1) 135.23(3) yes 2_555 . .
Ca(2) Cl(1) Ca(2) 89.62(6) yes 3_555 . 4_555
Ca(2) Cl(1) Ca(2) 102.34(8) yes 3_555 . 5_555
Ca(2) Cl(1) Ca(2) 160.67(7) yes 3_555 . 6_555
Ca(2) Cl(1) Ca(3) 103.54(8) yes 3_555 . .
Ca(2) Cl(1) Ca(3) 2.04(2) yes 3_555 . 3_555
Ca(2) Cl(1) Ca(3) 103.59(7) yes 3_555 . 5_555
Ca(2) Cl(1) Cl(1) 115.90(4) yes 3_555 . 7_556
Ca(2) Cl(1) Cl(1) 64.10(4) yes 3_555 . 8_555
Ca(2) Cl(1) F(1) 64.10(4) yes 3_555 . .
Ca(2) Cl(1) Ca(2) 89.62(6) yes 4_555 . 5_555
Ca(2) Cl(1) Ca(2) 75.16(7) yes 4_555 . 6_555
Ca(2) Cl(1) Ca(3) 158.63(8) yes 4_555 . .
Ca(2) Cl(1) Ca(3) 87.98(5) yes 4_555 . 3_555
Ca(2) Cl(1) Ca(3) 88.02(5) yes 4_555 . 5_555
Ca(2) Cl(1) Cl(1) 44.77(5) yes 4_555 . 7_556
Ca(2) Cl(1) Cl(1) 135.23(5) yes 4_555 . 8_555
Ca(2) Cl(1) F(1) 135.23(5) yes 4_555 . .
Ca(2) Cl(1) Ca(2) 89.62(4) yes 5_555 . 6_555
Ca(2) Cl(1) Ca(3) 103.59(8) yes 5_555 . .
Ca(2) Cl(1) Ca(3) 103.54(7) yes 5_555 . 3_555
Ca(2) Cl(1) Ca(3) 2.04(2) yes 5_555 . 5_555
Ca(2) Cl(1) Cl(1) 115.90(4) yes 5_555 . 7_556
Ca(2) Cl(1) Cl(1) 64.10(4) yes 5_555 . 8_555
Ca(2) Cl(1) F(1) 64.10(4) yes 5_555 . .
Ca(2) Cl(1) Ca(3) 88.02(6) yes 6_555 . .
Ca(2) Cl(1) Ca(3) 158.63(7) yes 6_555 . 3_555
Ca(2) Cl(1) Ca(3) 87.98(4) yes 6_555 . 5_555
Ca(2) Cl(1) Cl(1) 44.77(3) yes 6_555 . 7_556
Ca(2) Cl(1) Cl(1) 135.23(3) yes 6_555 . 8_555
Ca(2) Cl(1) F(1) 135.23(3) yes 6_555 . .
Ca(3) Cl(1) Ca(3) 104.75(6) yes . . 3_555
Ca(3) Cl(1) Ca(3) 104.75(6) yes . . 5_555
Ca(3) Cl(1) Cl(1) 113.86(4) yes . . 7_556
Ca(3) Cl(1) Cl(1) 66.14(4) yes . . 8_555
Ca(3) Cl(1) F(1) 66.14(4) yes . . .
Ca(3) Cl(1) Ca(3) 104.75(6) yes 3_555 . 5_555
Ca(3) Cl(1) Cl(1) 113.86(4) yes 3_555 . 7_556
Ca(3) Cl(1) Cl(1) 66.14(4) yes 3_555 . 8_555
Ca(3) Cl(1) F(1) 66.14(4) yes 3_555 . .
Ca(3) Cl(1) Cl(1) 113.86(4) yes 5_555 . 7_556
Ca(3) Cl(1) Cl(1) 66.14(4) yes 5_555 . 8_555
Ca(3) Cl(1) F(1) 66.14(4) yes 5_555 . .
Cl(1) Cl(1) Cl(1) 180.0000 yes 7_556 . 8_555
Cl(1) Cl(1) F(1) 180.0000 yes 7_556 . .
Cl(1) Cl(1) F(1) 0.0000 yes 8_555 . .
Ca(1) P(1) Ca(1) 64.881(8) yes 2_655 . 7_665
Ca(1) P(1) Ca(2) 80.96(5) yes 2_655 . .
Ca(1) P(1) Ca(3) 77.51(4) yes 2_655 . .
Ca(1) P(1) Ca(3) 74.47(3) yes 2_655 . 5_665
Ca(1) P(1) O(1) 135.747(14) yes 2_655 . .
Ca(1) P(1) O(2) 47.57(2) yes 2_655 . .
Ca(1) P(1) O(3) 112.11(3) yes 2_655 . .
Ca(1) P(1) O(3) 60.59(2) yes 2_655 . 10_555
Ca(1) P(1) Ca(2) 80.96(5) yes 7_665 . .
Ca(1) P(1) Ca(3) 77.51(4) yes 7_665 . .
Ca(1) P(1) Ca(3) 74.47(3) yes 7_665 . 5_665
Ca(1) P(1) O(1) 135.748(14) yes 7_665 . .
Ca(1) P(1) O(2) 47.57(2) yes 7_665 . .
Ca(1) P(1) O(3) 60.59(2) yes 7_665 . .
Ca(1) P(1) O(3) 112.11(3) yes 7_665 . 10_555
Ca(2) P(1) Ca(3) 4.11(8) yes . . .
Ca(2) P(1) Ca(3) 150.77(7) yes . . 5_665
Ca(2) P(1) O(1) 132.66(6) yes . . .
Ca(2) P(1) O(2) 116.19(7) yes . . .
Ca(2) P(1) O(3) 54.05(2) yes . . .
Ca(2) P(1) O(3) 54.05(2) yes . . 10_555
Ca(3) P(1) Ca(3) 146.66(6) yes . . 5_665
Ca(3) P(1) O(1) 136.77(5) yes . . .
Ca(3) P(1) O(2) 112.08(5) yes . . .
Ca(3) P(1) O(3) 54.37(2) yes . . .
Ca(3) P(1) O(3) 54.37(2) yes . . 10_555
Ca(3) P(1) O(1) 76.57(4) yes 5_665 . .
Ca(3) P(1) O(2) 34.58(5) yes 5_665 . .
Ca(3) P(1) O(3) 122.20(2) yes 5_665 . .
Ca(3) P(1) O(3) 122.20(2) yes 5_665 . 10_555
O(1) P(1) O(2) 111.15(3) yes . . .
O(1) P(1) O(3) 111.52(3) yes . . .
O(1) P(1) O(3) 111.52(3) yes . . 10_555
O(2) P(1) O(3) 107.27(3) yes . . .
O(2) P(1) O(3) 107.27(3) yes . . 10_555
O(3) P(1) O(3) 107.89(3) yes . . 10_555
Ca(2) F(1) Ca(2) 120.00(7) yes . . 3_555
Ca(2) F(1) Ca(2) 120.00(7) yes . . 5_555
Ca(2) F(1) Ca(3) 0.03(2) yes . . .
Ca(2) F(1) Ca(3) 120.03(5) yes . . 3_555
Ca(2) F(1) Ca(3) 119.97(5) 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) 120.00(10) yes 3_555 . 5_555
Ca(2) F(1) Ca(3) 119.97(7) yes 3_555 . .
Ca(2) F(1) Ca(3) 0.03(7) yes 3_555 . 3_555
Ca(2) F(1) Ca(3) 120.03(9) 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) Ca(3) 120.03(7) yes 5_555 . .
Ca(2) F(1) Ca(3) 119.97(9) yes 5_555 . 3_555
Ca(2) F(1) Ca(3) 0.03(5) yes 5_555 . 5_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
Ca(3) F(1) Ca(3) 120.00(5) yes . . 3_555
Ca(3) F(1) Ca(3) 120.00(5) yes . . 5_555
Ca(3) F(1) Cl(1) 90.0000 yes . . .
Ca(3) F(1) Cl(1) 90.0000 yes . . 8_555
Ca(3) F(1) Ca(3) 120.00(7) 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) Cl(1) 90.0000 yes 5_555 . .
Ca(3) F(1) Cl(1) 90.0000 yes 5_555 . 8_555
Cl(1) F(1) Cl(1) 180.0000 yes . . 8_555
Ca(1) O(1) Ca(1) 89.36(2) yes . . 8_565
Ca(1) O(1) Ca(2) 100.77(4) yes . . 3_555
Ca(1) O(1) Ca(3) 97.65(3) yes . . 3_555
Ca(1) O(1) P(1) 131.52(2) yes . . .
Ca(1) O(1) Ca(2) 100.78(4) yes 8_565 . 3_555
Ca(1) O(1) Ca(3) 97.65(3) yes 8_565 . 3_555
Ca(1) O(1) P(1) 131.52(2) yes 8_565 . .
Ca(2) O(1) Ca(3) 4.45(6) yes 3_555 . 3_555
Ca(2) O(1) P(1) 95.96(5) yes 3_555 . .
Ca(3) O(1) P(1) 100.41(4) yes 3_555 . .
Ca(1) O(2) Ca(1) 89.21(2) yes 2_655 . 7_665
Ca(1) O(2) Ca(2) 113.28(5) yes 2_655 . 5_665
Ca(1) O(2) Ca(3) 114.85(4) yes 2_655 . 5_665
Ca(1) O(2) P(1) 104.93(2) yes 2_655 . .
Ca(1) O(2) Ca(2) 113.28(5) yes 7_665 . 5_665
Ca(1) O(2) Ca(3) 114.85(4) yes 7_665 . 5_665
Ca(1) O(2) P(1) 104.93(2) yes 7_665 . .
Ca(2) O(2) Ca(3) 2.46(10) yes 5_665 . 5_665
Ca(2) O(2) P(1) 125.07(9) yes 5_665 . .
Ca(3) O(2) P(1) 122.60(8) yes 5_665 . .
Ca(1) O(3) Ca(2) 100.51(8) yes 7_665 . .
Ca(1) O(3) Ca(2) 102.71(7) yes 7_665 . 2_554
Ca(1) O(3) Ca(3) 95.49(6) yes 7_665 . .
Ca(1) O(3) Ca(3) 99.23(6) yes 7_665 . 2_554
Ca(1) O(3) P(1) 91.10(2) yes 7_665 . .
Ca(2) O(3) Ca(2) 114.41(3) yes . . 2_554
Ca(2) O(3) Ca(3) 5.02(9) yes . . .
Ca(2) O(3) Ca(3) 119.34(3) yes . . 2_554
Ca(2) O(3) P(1) 96.64(3) yes . . .
Ca(2) O(3) Ca(3) 116.20(3) yes 2_554 . .
Ca(2) O(3) Ca(3) 5.35(4) yes 2_554 . 2_554
Ca(2) O(3) P(1) 142.47(5) yes 2_554 . .
Ca(3) O(3) Ca(3) 120.92(3) yes . . 2_554
Ca(3) O(3) P(1) 96.58(3) yes . . .
Ca(3) O(3) P(1) 139.52(4) yes 2_554 . .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ca(1) Ca(1) P(1) Ca(2) 84.195(16) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) Ca(3) 81.909(11) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(1) -130.72(3) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(2) -54.48(3) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(1) O(3) 39.12(2) ? 8_564 . 2_554 2_554
P(1) Ca(1) Ca(1) P(1) -119.999(8) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) P(1) 120.000(7) ? 2_554 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) 31.86(2) ? 2_554 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) -88.138(18) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) 151.86(2) ? 2_554 . 8_564 6_564
P(1) Ca(1) Ca(1) O(3) -18.858(16) ? 2_554 . 8_564 2_554
P(1) Ca(1) Ca(1) O(3) -138.859(11) ? 2_554 . 8_564 4_664
P(1) Ca(1) Ca(1) O(3) 101.140(12) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(2) 84.20(3) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) Ca(3) 81.91(2) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) -130.72(2) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(2) -54.48(2) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) 39.12(2) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) 137.85(2) ? 8_564 . 4_664 7_665
P(1) Ca(1) Ca(1) P(1) 119.999(8) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) P(1) -120.001(6) ? 4_664 . 8_564 6_564
P(1) Ca(1) Ca(1) O(2) 151.86(2) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) 31.861(18) ? 4_664 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) -88.14(2) ? 4_664 . 8_564 6_564
P(1) Ca(1) Ca(1) O(3) 101.141(15) ? 4_664 . 8_564 2_554
P(1) Ca(1) Ca(1) O(3) -18.859(11) ? 4_664 . 8_564 4_664
P(1) Ca(1) Ca(1) O(3) -138.861(11) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(2) 84.20(2) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) Ca(3) 81.911(18) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(1) -130.72(3) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(2) -54.478(19) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(1) O(3) 39.13(3) ? 8_564 . 6_564 6_564
P(1) Ca(1) Ca(1) P(1) -120.000(7) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) P(1) 120.001(6) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) -88.14(2) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) O(2) 151.862(17) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(2) 31.86(2) ? 6_564 . 8_564 6_564
P(1) Ca(1) Ca(1) O(3) -138.859(15) ? 6_564 . 8_564 2_554
P(1) Ca(1) Ca(1) O(3) 101.141(10) ? 6_564 . 8_564 4_664
P(1) Ca(1) Ca(1) O(3) -18.860(11) ? 6_564 . 8_564 6_564
Ca(1) Ca(1) O(1) Ca(1) 179.996119(2) ? 8_564 . . 8_565
Ca(1) Ca(1) O(1) P(1) 28.89(5) ? 8_564 . . .
Ca(1) Ca(1) O(1) Ca(2) -79.15(4) ? 8_564 . . 3_555
Ca(1) Ca(1) O(1) Ca(3) -82.37(3) ? 8_564 . . 3_555
O(1) Ca(1) Ca(1) P(1) 66.87(2) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) -53.13(2) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) -173.13(2) ? . . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) 98.73(3) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) -21.27(2) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) -141.27(3) ? . . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) 48.01(2) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) -71.99(2) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) 168.01(2) ? . . 8_564 6_564
Ca(1) Ca(1) O(1) Ca(1) -179.9960980(10) ? 8_564 . 3_665 8_565
Ca(1) Ca(1) O(1) P(1) 28.90(7) ? 8_564 . 3_665 3_665
O(1) Ca(1) Ca(1) P(1) -173.14(3) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) 66.86(2) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) -53.14(2) ? 3_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) -141.28(3) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) 98.72(3) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) -21.28(4) ? 3_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) 168.00(3) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) 48.00(3) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) -72.00(3) ? 3_665 . 8_564 6_564
Ca(1) Ca(1) O(1) P(1) 28.89(6) ? 8_564 . 5_565 5_565
O(1) Ca(1) Ca(1) P(1) -53.14(2) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) P(1) -173.134(19) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) P(1) 66.865(19) ? 5_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) -21.27(3) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) -141.27(2) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) 98.73(3) ? 5_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) -71.99(2) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) 168.01(2) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) 48.01(2) ? 5_565 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.25(4) ? 8_564 . 2_554 2_554
O(2) Ca(1) Ca(1) P(1) -31.86(2) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) -151.86(2) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) 88.14(2) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(2) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(2) 120.00(3) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(3) -50.72(2) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) -170.72(2) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) 69.28(2) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.25(2) ? 8_564 . 4_664 4_664
O(2) Ca(1) Ca(1) P(1) 88.138(18) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) -31.861(18) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) -151.862(17) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) 120.00(2) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) -120.00(3) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(3) 69.28(2) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) -50.72(2) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -170.72(2) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) O(2) P(1) 105.25(3) ? 8_564 . 6_564 6_564
O(2) Ca(1) Ca(1) P(1) -151.86(2) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) P(1) 88.14(2) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) P(1) -31.86(2) ? 6_564 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(3) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) 120.00(3) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -170.72(3) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) 69.28(2) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -50.72(3) ? 6_564 . 8_564 6_564
O(3) Ca(1) Ca(1) P(1) 138.858(11) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) 18.859(11) ? 7_665 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) -101.142(10) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) 170.72(2) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) 50.72(2) ? 7_665 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) -69.28(2) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) 120.000(18) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) -120.002(14) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) P(1) -101.141(12) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) 138.860(11) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) 18.859(11) ? 9_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) -69.28(2) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) 170.72(2) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) 50.72(3) ? 9_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) -120.000(18) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) 120.000(14) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(3) -0.001(13) ? 9_565 . 8_564 6_564
Ca(1) Ca(1) O(3) Ca(2) 61.84(3) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(3) Ca(3) 61.59(3) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(3) P(1) -35.12(2) ? 8_564 . 11_555 2_554
O(3) Ca(1) Ca(1) P(1) 18.860(16) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) P(1) -101.139(15) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) P(1) 138.860(15) ? 11_555 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) 50.72(2) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) -69.28(2) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) 170.72(3) ? 11_555 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) 0.001(18) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) -119.999(18) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) O(3) 120.000(18) ? 11_555 . 8_564 6_564
Ca(1) Ca(1) P(1) Ca(2) -95.802(16) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) Ca(3) -98.088(11) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(1) 49.28(3) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(2) 125.52(3) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(1) O(3) -140.87(2) ? 8_565 . 2_554 2_554
P(1) Ca(1) Ca(1) O(1) 66.86(2) ? 2_554 . 8_565 .
P(1) Ca(1) Ca(1) O(1) -173.14(3) ? 2_554 . 8_565 3_665
P(1) Ca(1) Ca(1) O(1) -53.14(2) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) P(1) Ca(2) -95.80(3) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) Ca(3) -98.09(2) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(1) 49.28(2) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(2) 125.52(2) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) -140.88(2) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(1) O(3) -42.15(2) ? 8_565 . 4_664 7_665
P(1) Ca(1) Ca(1) O(1) -53.14(2) ? 4_664 . 8_565 .
P(1) Ca(1) Ca(1) O(1) 66.86(2) ? 4_664 . 8_565 3_665
P(1) Ca(1) Ca(1) O(1) -173.134(19) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) P(1) Ca(2) -95.81(2) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) Ca(3) -98.093(18) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(1) 49.27(3) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(2) 125.519(19) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(1) O(3) -140.88(3) ? 8_565 . 6_564 6_564
P(1) Ca(1) Ca(1) O(1) -173.13(2) ? 6_564 . 8_565 .
P(1) Ca(1) Ca(1) O(1) -53.13(2) ? 6_564 . 8_565 3_665
P(1) Ca(1) Ca(1) O(1) 66.867(19) ? 6_564 . 8_565 5_565
Ca(1) Ca(1) O(1) P(1) -151.11(5) ? 8_565 . . .
Ca(1) Ca(1) O(1) Ca(2) 100.85(4) ? 8_565 . . 3_555
Ca(1) Ca(1) O(1) Ca(3) 97.64(3) ? 8_565 . . 3_555
O(1) Ca(1) Ca(1) O(1) 120.00(3) ? . . 8_565 3_665
O(1) Ca(1) Ca(1) O(1) -120.00(2) ? . . 8_565 5_565
Ca(1) Ca(1) O(1) P(1) -151.11(7) ? 8_565 . 3_665 3_665
O(1) Ca(1) Ca(1) O(1) -120.00(3) ? 3_665 . 8_565 .
O(1) Ca(1) Ca(1) O(1) 120.00(3) ? 3_665 . 8_565 5_565
Ca(1) Ca(1) O(1) P(1) -151.11(6) ? 8_565 . 5_565 5_565
O(1) Ca(1) Ca(1) O(1) 120.00(2) ? 5_565 . 8_565 .
O(1) Ca(1) Ca(1) O(1) -120.00(3) ? 5_565 . 8_565 3_665
Ca(1) Ca(1) O(2) P(1) -74.75(4) ? 8_565 . 2_554 2_554
O(2) Ca(1) Ca(1) O(1) 98.72(3) ? 2_554 . 8_565 .
O(2) Ca(1) Ca(1) O(1) -141.28(3) ? 2_554 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) -21.28(3) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.75(2) ? 8_565 . 4_664 4_664
O(2) Ca(1) Ca(1) O(1) -21.28(2) ? 4_664 . 8_565 .
O(2) Ca(1) Ca(1) O(1) 98.72(3) ? 4_664 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) -141.28(2) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) O(2) P(1) -74.76(3) ? 8_565 . 6_564 6_564
O(2) Ca(1) Ca(1) O(1) -141.27(3) ? 6_564 . 8_565 .
O(2) Ca(1) Ca(1) O(1) -21.27(4) ? 6_564 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) 98.73(3) ? 6_564 . 8_565 5_565
O(3) Ca(1) Ca(1) O(1) -71.99(2) ? 7_665 . 8_565 .
O(3) Ca(1) Ca(1) O(1) 48.01(3) ? 7_665 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) 168.01(2) ? 7_665 . 8_565 5_565
O(3) Ca(1) Ca(1) O(1) 168.01(2) ? 9_565 . 8_565 .
O(3) Ca(1) Ca(1) O(1) -71.99(3) ? 9_565 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) 48.01(2) ? 9_565 . 8_565 5_565
Ca(1) Ca(1) O(3) Ca(2) -118.16(3) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(3) Ca(3) -118.40(3) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(3) P(1) 144.88(2) ? 8_565 . 11_555 2_554
O(3) Ca(1) Ca(1) O(1) 48.00(2) ? 11_555 . 8_565 .
O(3) Ca(1) Ca(1) O(1) 168.00(3) ? 11_555 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) -72.00(2) ? 11_555 . 8_565 5_565
P(1) Ca(1) P(1) Ca(2) 131.30(3) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) Ca(3) 129.01(2) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(1) -83.62(2) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(2) -7.37(2) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(3) 86.23(2) ? 2_554 . 4_664 4_664
P(1) Ca(1) P(1) O(3) -175.04(2) ? 2_554 . 4_664 7_665
P(1) Ca(1) P(1) Ca(2) 37.091(16) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) Ca(3) 34.805(12) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(1) -177.83(3) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(2) -101.58(3) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) O(3) -7.98(2) ? 4_664 . 2_554 2_554
P(1) Ca(1) P(1) Ca(2) 37.09(2) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) Ca(3) 34.806(19) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(1) -177.83(3) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(2) -101.58(2) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) O(3) -7.98(3) ? 2_554 . 6_564 6_564
P(1) Ca(1) P(1) Ca(2) 131.300(17) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) Ca(3) 129.013(12) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(1) -83.62(3) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(2) -7.38(3) ? 6_564 . 2_554 2_554
P(1) Ca(1) P(1) O(3) 86.23(2) ? 6_564 . 2_554 2_554
P(1) Ca(1) O(1) Ca(1) -128.378(14) ? 2_554 . . 8_565
P(1) Ca(1) O(1) P(1) 80.51(3) ? 2_554 . . .
P(1) Ca(1) O(1) Ca(2) -27.53(4) ? 2_554 . . 3_555
P(1) Ca(1) O(1) Ca(3) -30.74(3) ? 2_554 . . 3_555
O(1) Ca(1) P(1) Ca(2) -54.47(2) ? . . 2_554 2_554
O(1) Ca(1) P(1) Ca(3) -56.75(2) ? . . 2_554 2_554
O(1) Ca(1) P(1) O(1) 90.62(3) ? . . 2_554 2_554
O(1) Ca(1) P(1) O(2) 166.86(3) ? . . 2_554 2_554
O(1) Ca(1) P(1) O(3) -99.54(3) ? . . 2_554 2_554
P(1) Ca(1) O(1) Ca(1) 25.89(10) ? 2_554 . 3_665 8_565
P(1) Ca(1) O(1) P(1) -125.22(4) ? 2_554 . 3_665 3_665
O(1) Ca(1) P(1) Ca(2) -117.39(8) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(1) Ca(3) -119.67(8) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(1) O(1) 27.70(9) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(1) O(2) 103.94(8) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(1) O(3) -162.46(8) ? 3_665 . 2_554 2_554
P(1) Ca(1) O(1) Ca(1) 137.522(14) ? 2_554 . 5_565 8_565
P(1) Ca(1) O(1) P(1) -13.59(5) ? 2_554 . 5_565 5_565
O(1) Ca(1) P(1) Ca(2) -130.48(2) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(1) Ca(3) -132.77(2) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(1) O(1) 14.60(3) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(1) O(2) 90.84(3) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(1) O(3) -175.55(3) ? 5_565 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 138.67(3) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 136.39(3) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) O(1) -76.24(4) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(1) O(3) 93.60(4) ? 2_554 . 2_554 2_554
P(1) Ca(1) O(2) P(1) 171.98(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 33.39(2) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 31.103(17) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(1) 178.47(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(2) -105.28(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) O(3) -11.68(3) ? 4_664 . 2_554 2_554
P(1) Ca(1) O(2) P(1) 81.498(18) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 104.06(2) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) Ca(3) 101.77(2) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(1) -110.86(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(2) -34.62(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) O(3) 58.99(3) ? 6_564 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) 34.32(2) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) Ca(3) 32.03(2) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) O(1) 179.40(3) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) O(2) -104.36(3) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) O(3) -10.75(3) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(1) Ca(2) 159.67(2) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(1) Ca(3) 157.387(19) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(1) O(1) -55.25(3) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(1) O(2) 21.00(3) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(1) O(3) 114.60(3) ? 9_565 . 2_554 2_554
P(1) Ca(1) O(3) Ca(2) 96.96(4) ? 2_554 . 11_555 2_554
P(1) Ca(1) O(3) Ca(3) 96.71(4) ? 2_554 . 11_555 2_554
O(3) Ca(1) P(1) Ca(2) -53.65(3) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(1) Ca(3) -55.94(3) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(1) O(1) 91.43(4) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(1) O(2) 167.67(4) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(1) O(3) -98.73(4) ? 11_555 . 2_554 2_554
P(1) Ca(1) P(1) Ca(2) 131.30(2) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) Ca(3) 129.014(19) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(1) -83.62(3) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(2) -7.375(19) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) O(3) 86.23(3) ? 4_664 . 6_564 6_564
P(1) Ca(1) P(1) Ca(2) 37.09(3) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) Ca(3) 34.81(2) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(1) -177.83(2) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(2) -101.58(3) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(3) -7.98(2) ? 6_564 . 4_664 4_664
P(1) Ca(1) P(1) O(3) 90.75(2) ? 6_564 . 4_664 7_665
P(1) Ca(1) O(1) Ca(1) 137.521(15) ? 4_664 . . 8_565
P(1) Ca(1) O(1) P(1) -13.59(3) ? 4_664 . . .
P(1) Ca(1) O(1) Ca(2) -121.63(4) ? 4_664 . . 3_555
P(1) Ca(1) O(1) Ca(3) -124.84(3) ? 4_664 . . 3_555
O(1) Ca(1) P(1) Ca(2) -130.48(3) ? . . 4_664 4_664
O(1) Ca(1) P(1) Ca(3) -132.77(2) ? . . 4_664 4_664
O(1) Ca(1) P(1) O(1) 14.60(2) ? . . 4_664 4_664
O(1) Ca(1) P(1) O(2) 90.84(3) ? . . 4_664 4_664
O(1) Ca(1) P(1) O(3) -175.55(2) ? . . 4_664 4_664
O(1) Ca(1) P(1) O(3) -76.83(2) ? . . 4_664 7_665
P(1) Ca(1) O(1) Ca(1) -128.375(19) ? 4_664 . 3_665 8_565
P(1) Ca(1) O(1) P(1) 80.52(6) ? 4_664 . 3_665 3_665
O(1) Ca(1) P(1) Ca(2) -54.47(3) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) Ca(3) -56.75(3) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) O(1) 90.61(2) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) O(2) 166.86(3) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -99.54(2) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -0.81(3) ? 3_665 . 4_664 7_665
P(1) Ca(1) O(1) Ca(1) 25.90(6) ? 4_664 . 5_565 8_565
P(1) Ca(1) O(1) P(1) -125.21(5) ? 4_664 . 5_565 5_565
O(1) Ca(1) P(1) Ca(2) -117.40(6) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) Ca(3) -119.68(6) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) O(1) 27.68(6) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) O(2) 103.93(5) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -162.47(5) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(1) O(3) -63.74(6) ? 5_565 . 4_664 7_665
P(1) Ca(1) O(2) P(1) 81.50(2) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 104.06(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 101.77(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(1) -110.86(2) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(2) -34.62(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 58.99(2) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 157.71(3) ? 2_554 . 4_664 7_665
O(2) Ca(1) P(1) Ca(2) 138.68(4) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 136.39(4) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(1) -76.24(3) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 93.60(3) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(1) O(3) -167.67(4) ? 4_664 . 4_664 7_665
P(1) Ca(1) O(2) P(1) 171.98(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 33.39(3) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) Ca(3) 31.10(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(1) 178.47(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(2) -105.29(3) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(3) -11.68(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) O(3) 87.04(2) ? 6_564 . 4_664 7_665
O(3) Ca(1) P(1) Ca(2) -53.65(4) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) Ca(3) -55.94(3) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) O(1) 91.43(3) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) O(2) 167.67(4) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) O(3) -98.73(3) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(1) Ca(2) 34.32(3) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) Ca(3) 32.03(3) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) O(1) 179.40(2) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) O(2) -104.36(3) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) O(3) -10.75(2) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(1) O(3) 87.97(3) ? 9_565 . 4_664 7_665
P(1) Ca(1) O(3) Ca(2) 5.76(3) ? 4_664 . 11_555 2_554
P(1) Ca(1) O(3) Ca(3) 5.51(3) ? 4_664 . 11_555 2_554
P(1) Ca(1) O(3) P(1) -91.21(2) ? 4_664 . 11_555 2_554
O(3) Ca(1) P(1) Ca(2) 159.67(3) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) Ca(3) 157.39(3) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) O(1) -55.24(2) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) O(2) 21.00(3) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) O(3) 114.60(2) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(1) O(3) -146.67(3) ? 11_555 . 4_664 7_665
P(1) Ca(1) O(1) Ca(1) 25.90(9) ? 6_564 . . 8_565
P(1) Ca(1) O(1) P(1) -125.20(6) ? 6_564 . . .
P(1) Ca(1) O(1) Ca(2) 126.75(7) ? 6_564 . . 3_555
P(1) Ca(1) O(1) Ca(3) 123.54(7) ? 6_564 . . 3_555
O(1) Ca(1) P(1) Ca(2) -117.40(8) ? . . 6_564 6_564
O(1) Ca(1) P(1) Ca(3) -119.69(8) ? . . 6_564 6_564
O(1) Ca(1) P(1) O(1) 27.68(9) ? . . 6_564 6_564
O(1) Ca(1) P(1) O(2) 103.92(8) ? . . 6_564 6_564
O(1) Ca(1) P(1) O(3) -162.47(8) ? . . 6_564 6_564
P(1) Ca(1) O(1) Ca(1) 137.52(2) ? 6_564 . 3_665 8_565
P(1) Ca(1) O(1) P(1) -13.59(5) ? 6_564 . 3_665 3_665
O(1) Ca(1) P(1) Ca(2) -130.48(2) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(1) Ca(3) -132.77(2) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(1) O(1) 14.60(4) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(1) O(2) 90.84(2) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(1) O(3) -175.55(3) ? 3_665 . 6_564 6_564
P(1) Ca(1) O(1) Ca(1) -128.375(13) ? 6_564 . 5_565 8_565
P(1) Ca(1) O(1) P(1) 80.51(4) ? 6_564 . 5_565 5_565
O(1) Ca(1) P(1) Ca(2) -54.47(2) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(1) Ca(3) -56.75(2) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(1) O(1) 90.61(3) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(1) O(2) 166.86(2) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(1) O(3) -99.54(3) ? 5_565 . 6_564 6_564
P(1) Ca(1) O(2) P(1) 171.98(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(1) Ca(2) 33.39(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 31.10(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(1) 178.47(4) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(2) -105.28(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(1) O(3) -11.68(3) ? 2_554 . 6_564 6_564
P(1) Ca(1) O(2) P(1) 81.50(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(1) Ca(2) 104.06(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 101.77(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(1) -110.86(4) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(2) -34.62(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) O(3) 58.99(3) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(1) Ca(2) 138.68(2) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) Ca(3) 136.39(2) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) O(1) -76.24(4) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(1) O(3) 93.60(3) ? 6_564 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) 159.67(2) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) Ca(3) 157.39(2) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) O(1) -55.25(4) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) O(2) 21.00(2) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) O(3) 114.60(3) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(1) Ca(2) -53.65(3) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(1) Ca(3) -55.94(3) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(1) O(1) 91.43(4) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(1) O(2) 167.67(3) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(1) O(3) -98.73(4) ? 9_565 . 6_564 6_564
P(1) Ca(1) O(3) Ca(2) 102.80(3) ? 6_564 . 11_555 2_554
P(1) Ca(1) O(3) Ca(3) 102.55(3) ? 6_564 . 11_555 2_554
P(1) Ca(1) O(3) P(1) 5.84(3) ? 6_564 . 11_555 2_554
O(3) Ca(1) P(1) Ca(2) 34.32(2) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(1) Ca(3) 32.03(2) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(1) O(1) 179.40(4) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(1) O(2) -104.35(2) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(1) O(3) -10.75(3) ? 11_555 . 6_564 6_564
O(1) Ca(1) O(1) Ca(1) -39.39(2) ? . . 3_665 8_565
O(1) Ca(1) O(1) P(1) 169.50(6) ? . . 3_665 3_665
O(1) Ca(1) O(1) Ca(1) 39.39(2) ? 3_665 . . 8_565
O(1) Ca(1) O(1) P(1) -111.72(4) ? 3_665 . . .
O(1) Ca(1) O(1) Ca(2) 140.24(4) ? 3_665 . . 3_555
O(1) Ca(1) O(1) Ca(3) 137.02(3) ? 3_665 . . 3_555
O(1) Ca(1) O(1) Ca(1) 39.390(16) ? . . 5_565 8_565
O(1) Ca(1) O(1) P(1) -111.72(5) ? . . 5_565 5_565
O(1) Ca(1) O(1) Ca(1) -39.390(17) ? 5_565 . . 8_565
O(1) Ca(1) O(1) P(1) 169.50(4) ? 5_565 . . .
O(1) Ca(1) O(1) Ca(2) 61.46(4) ? 5_565 . . 3_555
O(1) Ca(1) O(1) Ca(3) 58.25(3) ? 5_565 . . 3_555
O(1) Ca(1) O(2) P(1) -15.90(4) ? . . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) -121.04(2) ? 2_554 . . 8_565
O(2) Ca(1) O(1) P(1) 87.86(4) ? 2_554 . . .
O(2) Ca(1) O(1) Ca(2) -20.19(5) ? 2_554 . . 3_555
O(2) Ca(1) O(1) Ca(3) -23.40(4) ? 2_554 . . 3_555
O(1) Ca(1) O(2) P(1) -89.71(2) ? . . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) 165.02(2) ? 4_664 . . 8_565
O(2) Ca(1) O(1) P(1) 13.92(3) ? 4_664 . . .
O(2) Ca(1) O(1) Ca(2) -94.13(4) ? 4_664 . . 3_555
O(2) Ca(1) O(1) Ca(3) -97.34(3) ? 4_664 . . 3_555
O(1) Ca(1) O(2) P(1) -150.73(3) ? . . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) 103.72(4) ? 6_564 . . 8_565
O(2) Ca(1) O(1) P(1) -47.39(5) ? 6_564 . . .
O(2) Ca(1) O(1) Ca(2) -155.43(5) ? 6_564 . . 3_555
O(2) Ca(1) O(1) Ca(3) -158.64(4) ? 6_564 . . 3_555
O(3) Ca(1) O(1) Ca(1) 109.89(2) ? 7_665 . . 8_565
O(3) Ca(1) O(1) P(1) -41.22(3) ? 7_665 . . .
O(3) Ca(1) O(1) Ca(2) -149.26(4) ? 7_665 . . 3_555
O(3) Ca(1) O(1) Ca(3) -152.47(3) ? 7_665 . . 3_555
O(3) Ca(1) O(1) Ca(1) -20.33(3) ? 9_565 . . 8_565
O(3) Ca(1) O(1) P(1) -171.44(2) ? 9_565 . . .
O(3) Ca(1) O(1) Ca(2) 80.52(4) ? 9_565 . . 3_555
O(3) Ca(1) O(1) Ca(3) 77.31(3) ? 9_565 . . 3_555
O(1) Ca(1) O(3) Ca(2) -83.89(4) ? . . 11_555 2_554
O(1) Ca(1) O(3) Ca(3) -84.14(3) ? . . 11_555 2_554
O(1) Ca(1) O(3) P(1) 179.14(3) ? . . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) -128.79(2) ? 11_555 . . 8_565
O(3) Ca(1) O(1) P(1) 80.10(3) ? 11_555 . . .
O(3) Ca(1) O(1) Ca(2) -27.94(4) ? 11_555 . . 3_555
O(3) Ca(1) O(1) Ca(3) -31.15(3) ? 11_555 . . 3_555
O(1) Ca(1) O(1) Ca(1) -39.388(19) ? 3_665 . 5_565 8_565
O(1) Ca(1) O(1) P(1) 169.50(5) ? 3_665 . 5_565 5_565
O(1) Ca(1) O(1) Ca(1) 39.39(2) ? 5_565 . 3_665 8_565
O(1) Ca(1) O(1) P(1) -111.72(6) ? 5_565 . 3_665 3_665
O(1) Ca(1) O(2) P(1) -150.73(3) ? 3_665 . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) 103.72(3) ? 2_554 . 3_665 8_565
O(2) Ca(1) O(1) P(1) -47.39(8) ? 2_554 . 3_665 3_665
O(1) Ca(1) O(2) P(1) -15.91(3) ? 3_665 . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) -121.03(2) ? 4_664 . 3_665 8_565
O(2) Ca(1) O(1) P(1) 87.86(6) ? 4_664 . 3_665 3_665
O(1) Ca(1) O(2) P(1) -89.71(2) ? 3_665 . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) 165.03(2) ? 6_564 . 3_665 8_565
O(2) Ca(1) O(1) P(1) 13.92(6) ? 6_564 . 3_665 3_665
O(3) Ca(1) O(1) Ca(1) -128.79(2) ? 7_665 . 3_665 8_565
O(3) Ca(1) O(1) P(1) 80.11(5) ? 7_665 . 3_665 3_665
O(3) Ca(1) O(1) Ca(1) 109.89(2) ? 9_565 . 3_665 8_565
O(3) Ca(1) O(1) P(1) -41.21(5) ? 9_565 . 3_665 3_665
O(1) Ca(1) O(3) Ca(2) -103.62(5) ? 3_665 . 11_555 2_554
O(1) Ca(1) O(3) Ca(3) -103.87(4) ? 3_665 . 11_555 2_554
O(1) Ca(1) O(3) P(1) 159.42(3) ? 3_665 . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) -20.33(5) ? 11_555 . 3_665 8_565
O(3) Ca(1) O(1) P(1) -171.44(4) ? 11_555 . 3_665 3_665
O(1) Ca(1) O(2) P(1) -89.71(3) ? 5_565 . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) 165.025(19) ? 2_554 . 5_565 8_565
O(2) Ca(1) O(1) P(1) 13.91(5) ? 2_554 . 5_565 5_565
O(1) Ca(1) O(2) P(1) -150.73(4) ? 5_565 . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) 103.72(4) ? 4_664 . 5_565 8_565
O(2) Ca(1) O(1) P(1) -47.39(8) ? 4_664 . 5_565 5_565
O(1) Ca(1) O(2) P(1) -15.91(2) ? 5_565 . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) -121.03(2) ? 6_564 . 5_565 8_565
O(2) Ca(1) O(1) P(1) 87.86(5) ? 6_564 . 5_565 5_565
O(3) Ca(1) O(1) Ca(1) -20.32(3) ? 7_665 . 5_565 8_565
O(3) Ca(1) O(1) P(1) -171.44(3) ? 7_665 . 5_565 5_565
O(3) Ca(1) O(1) Ca(1) -128.79(2) ? 9_565 . 5_565 8_565
O(3) Ca(1) O(1) P(1) 80.10(5) ? 9_565 . 5_565 5_565
O(1) Ca(1) O(3) Ca(2) -160.94(4) ? 5_565 . 11_555 2_554
O(1) Ca(1) O(3) Ca(3) -161.18(3) ? 5_565 . 11_555 2_554
O(1) Ca(1) O(3) P(1) 102.10(3) ? 5_565 . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) 109.89(2) ? 11_555 . 5_565 8_565
O(3) Ca(1) O(1) P(1) -41.22(5) ? 11_555 . 5_565 5_565
O(2) Ca(1) O(2) P(1) 144.67(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) O(2) P(1) 65.82(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) O(2) P(1) 65.82(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) O(2) P(1) 144.67(3) ? 6_564 . 2_554 2_554
O(3) Ca(1) O(2) P(1) 94.12(2) ? 7_665 . 2_554 2_554
O(3) Ca(1) O(2) P(1) -157.35(3) ? 9_565 . 2_554 2_554
O(2) Ca(1) O(3) Ca(2) 103.84(4) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(3) Ca(3) 103.59(3) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(3) P(1) 6.87(2) ? 2_554 . 11_555 2_554
O(3) Ca(1) O(2) P(1) -7.06(2) ? 11_555 . 2_554 2_554
O(2) Ca(1) O(2) P(1) 144.67(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) O(2) P(1) 65.82(2) ? 6_564 . 4_664 4_664
O(3) Ca(1) O(2) P(1) -7.06(2) ? 7_665 . 4_664 4_664
O(3) Ca(1) O(2) P(1) 94.12(3) ? 9_565 . 4_664 4_664
O(2) Ca(1) O(3) Ca(2) 16.02(3) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(3) Ca(3) 15.77(3) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(3) P(1) -80.94(3) ? 4_664 . 11_555 2_554
O(3) Ca(1) O(2) P(1) -157.35(3) ? 11_555 . 4_664 4_664
O(3) Ca(1) O(2) P(1) -157.35(2) ? 7_665 . 6_564 6_564
O(3) Ca(1) O(2) P(1) -7.061(19) ? 9_565 . 6_564 6_564
O(2) Ca(1) O(3) Ca(2) 69.86(4) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(3) Ca(3) 69.61(4) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(3) P(1) -27.10(4) ? 6_564 . 11_555 2_554
O(3) Ca(1) O(2) P(1) 94.12(2) ? 11_555 . 6_564 6_564
O(3) Ca(1) O(3) Ca(2) -11.24(4) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) Ca(3) -11.49(4) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) P(1) -108.21(3) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) Ca(2) 134.93(4) ? 9_565 . 11_555 2_554
O(3) Ca(1) O(3) Ca(3) 134.68(3) ? 9_565 . 11_555 2_554
O(3) Ca(1) O(3) P(1) 37.97(4) ? 9_565 . 11_555 2_554
Ca(3) Ca(2) Cl(1) Ca(2) 36.7(5) ? . . . 2_555
Ca(3) Ca(2) Cl(1) Ca(2) 126.2(5) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(2) -0.9(6) ? . . . 4_555
Ca(3) Ca(2) Cl(1) Ca(2) -128.0(5) ? . . . 5_555
Ca(3) Ca(2) Cl(1) Ca(2) -38.5(5) ? . . . 6_555
Ca(3) Ca(2) Cl(1) F(1) 179.1(5) ? . . . .
Ca(3) Ca(2) Cl(1) Ca(3) 124.6(5) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(3) -126.3(5) ? . . . 5_555
Ca(3) Ca(2) Cl(1) Cl(1) -0.9(5) ? . . . 7_556
Ca(3) Ca(2) Cl(1) Cl(1) 179.1(5) ? . . . 8_555
Cl(1) Ca(2) Ca(3) Ca(2) 90.8(5) ? . . . 5_555
Cl(1) Ca(2) Ca(3) P(1) -89.2(5) ? . . . .
Cl(1) Ca(2) Ca(3) F(1) -89.2(5) ? . . . .
Cl(1) Ca(2) Ca(3) O(3) -118.6(5) ? . . . .
Cl(1) Ca(2) Ca(3) Cl(1) -178.4(10) ? . . . 8_555
Cl(1) Ca(2) Ca(3) P(1) -89.2(5) ? . . . 3_655
Cl(1) Ca(2) Ca(3) O(1) 90.8(5) ? . . . 5_555
Cl(1) Ca(2) Ca(3) O(2) -89.2(5) ? . . . 3_655
Cl(1) Ca(2) Ca(3) O(3) 18.1(5) ? . . . 6_555
Cl(1) Ca(2) Ca(3) O(3) 163.5(4) ? . . . 9_555
Cl(1) Ca(2) Ca(3) O(3) -59.8(5) ? . . . 10_555
Ca(3) Ca(2) Cl(1) Ca(2) -140.3(3) ? . . 2_554 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 141.4(3) ? . . 2_554 5_555
Ca(3) Ca(2) Cl(1) Ca(2) -50.6(3) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) Ca(3) -51.9(3) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) F(1) 0.6(3) ? . . 2_554 2_554
Ca(3) Ca(2) Cl(1) Cl(1) -179.4(3) ? . . 2_554 8_555
Cl(1) Ca(2) Ca(3) Ca(2) -90.4(2) ? 2_554 . . 5_555
Cl(1) Ca(2) Ca(3) Cl(1) 178.8(7) ? 2_554 . . .
Cl(1) Ca(2) Ca(3) P(1) 89.6(2) ? 2_554 . . .
Cl(1) Ca(2) Ca(3) F(1) 89.6(2) ? 2_554 . . .
Cl(1) Ca(2) Ca(3) O(3) 60.2(2) ? 2_554 . . .
Cl(1) Ca(2) Ca(3) Cl(1) 0.4(2) ? 2_554 . . 8_555
Cl(1) Ca(2) Ca(3) P(1) 89.6(2) ? 2_554 . . 3_655
Cl(1) Ca(2) Ca(3) O(1) -90.4(2) ? 2_554 . . 5_555
Cl(1) Ca(2) Ca(3) O(2) 89.6(2) ? 2_554 . . 3_655
Cl(1) Ca(2) Ca(3) O(3) -163.1(2) ? 2_554 . . 6_555
Cl(1) Ca(2) Ca(3) O(3) -17.7(3) ? 2_554 . . 9_555
Cl(1) Ca(2) Ca(3) O(3) 119.0(2) ? 2_554 . . 10_555
Ca(3) Ca(2) Cl(1) Ca(2) 50.6(3) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(2) 140.3(3) ? . . 7_556 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 179.4(3) ? . . 7_556 4_555
Ca(3) Ca(2) Cl(1) Ca(2) -141.4(3) ? . . 7_556 5_555
Ca(3) Ca(2) Cl(1) Ca(2) -51.7(3) ? . . 7_556 6_555
Ca(3) Ca(2) Cl(1) Ca(3) 51.9(3) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) Ca(3) 179.5(3) ? . . 7_556 4_555
Ca(3) Ca(2) Cl(1) Ca(3) -52.9(3) ? . . 7_556 6_555
Ca(3) Ca(2) Cl(1) Cl(1) 179.4(3) ? . . 7_556 .
Ca(3) Ca(2) Cl(1) Cl(1) -0.6(3) ? . . 7_556 2_555
Ca(3) Ca(2) Cl(1) F(1) -0.6(3) ? . . 7_556 2_555
Cl(1) Ca(2) Ca(3) Ca(2) 90.4(2) ? 7_556 . . 5_555
Cl(1) Ca(2) Ca(3) Cl(1) -0.4(2) ? 7_556 . . .
Cl(1) Ca(2) Ca(3) P(1) -89.6(2) ? 7_556 . . .
Cl(1) Ca(2) Ca(3) F(1) -89.6(2) ? 7_556 . . .
Cl(1) Ca(2) Ca(3) O(3) -119.0(2) ? 7_556 . . .
Cl(1) Ca(2) Ca(3) Cl(1) -178.8(7) ? 7_556 . . 8_555
Cl(1) Ca(2) Ca(3) P(1) -89.6(2) ? 7_556 . . 3_655
Cl(1) Ca(2) Ca(3) O(1) 90.4(2) ? 7_556 . . 5_555
Cl(1) Ca(2) Ca(3) O(2) -89.6(2) ? 7_556 . . 3_655
Cl(1) Ca(2) Ca(3) O(3) 17.7(3) ? 7_556 . . 6_555
Cl(1) Ca(2) Ca(3) O(3) 163.1(2) ? 7_556 . . 9_555
Cl(1) Ca(2) Ca(3) O(3) -60.2(2) ? 7_556 . . 10_555
Ca(3) Ca(2) Cl(1) Ca(2) -126.2(5) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 128.0(5) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) Ca(3) -124.6(5) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 126.3(5) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) Cl(1) -179.1(5) ? . . 8_555 .
Ca(3) Ca(2) Cl(1) F(1) -179.1(5) ? . . 8_555 .
Cl(1) Ca(2) Ca(3) Ca(2) -90.8(5) ? 8_555 . . 5_555
Cl(1) Ca(2) Ca(3) Cl(1) 178.4(10) ? 8_555 . . .
Cl(1) Ca(2) Ca(3) P(1) 89.2(5) ? 8_555 . . .
Cl(1) Ca(2) Ca(3) F(1) 89.2(5) ? 8_555 . . .
Cl(1) Ca(2) Ca(3) O(3) 59.8(5) ? 8_555 . . .
Cl(1) Ca(2) Ca(3) P(1) 89.2(5) ? 8_555 . . 3_655
Cl(1) Ca(2) Ca(3) O(1) -90.8(5) ? 8_555 . . 5_555
Cl(1) Ca(2) Ca(3) O(2) 89.2(5) ? 8_555 . . 3_655
Cl(1) Ca(2) Ca(3) O(3) -163.5(4) ? 8_555 . . 6_555
Cl(1) Ca(2) Ca(3) O(3) -18.1(5) ? 8_555 . . 9_555
Cl(1) Ca(2) Ca(3) O(3) 118.6(5) ? 8_555 . . 10_555
Ca(3) Ca(2) P(1) Ca(1) -32.900(7) ? . . . 2_655
Ca(3) Ca(2) P(1) Ca(1) 32.899(7) ? . . . 7_665
Ca(3) Ca(2) P(1) O(3) 92.98(5) ? . . . .
Ca(3) Ca(2) P(1) O(3) -92.98(5) ? . . . 10_555
P(1) Ca(2) Ca(3) Cl(1) 89.2(5) ? . . . .
P(1) Ca(2) Ca(3) O(3) -29.40(2) ? . . . .
P(1) Ca(2) Ca(3) Cl(1) -89.2(5) ? . . . 8_555
P(1) Ca(2) Ca(3) O(3) 107.26(5) ? . . . 6_555
P(1) Ca(2) Ca(3) O(3) -107.26(5) ? . . . 9_555
P(1) Ca(2) Ca(3) O(3) 29.40(2) ? . . . 10_555
Ca(3) Ca(2) F(1) Cl(1) -90.0 ? . . . .
Ca(3) Ca(2) F(1) Cl(1) 90.0 ? . . . 8_555
F(1) Ca(2) Ca(3) Cl(1) 89.2(5) ? . . . .
F(1) Ca(2) Ca(3) O(3) -29.40(2) ? . . . .
F(1) Ca(2) Ca(3) Cl(1) -89.2(5) ? . . . 8_555
F(1) Ca(2) Ca(3) O(3) 107.26(5) ? . . . 6_555
F(1) Ca(2) Ca(3) O(3) -107.26(5) ? . . . 9_555
F(1) Ca(2) Ca(3) O(3) 29.40(2) ? . . . 10_555
O(1) Ca(2) Ca(3) Cl(1) -90.8(5) ? 5_555 . . .
O(1) Ca(2) Ca(3) O(3) 150.60(2) ? 5_555 . . .
O(1) Ca(2) Ca(3) Cl(1) 90.8(5) ? 5_555 . . 8_555
O(1) Ca(2) Ca(3) O(3) -72.74(5) ? 5_555 . . 6_555
O(1) Ca(2) Ca(3) O(3) 72.74(5) ? 5_555 . . 9_555
O(1) Ca(2) Ca(3) O(3) -150.60(2) ? 5_555 . . 10_555
Ca(3) Ca(2) O(2) Ca(1) -130.14(2) ? . . 3_655 2_655
Ca(3) Ca(2) O(2) Ca(1) 130.14(2) ? . . 3_655 7_665
O(2) Ca(2) Ca(3) Cl(1) 89.2(5) ? 3_655 . . .
O(2) Ca(2) Ca(3) O(3) -29.40(2) ? 3_655 . . .
O(2) Ca(2) Ca(3) Cl(1) -89.2(5) ? 3_655 . . 8_555
O(2) Ca(2) Ca(3) O(3) 107.26(5) ? 3_655 . . 6_555
O(2) Ca(2) Ca(3) O(3) -107.26(5) ? 3_655 . . 9_555
O(2) Ca(2) Ca(3) O(3) 29.40(2) ? 3_655 . . 10_555
Ca(3) Ca(2) O(3) Ca(1) 2.81(12) ? . . . 7_665
Ca(3) Ca(2) O(3) P(1) -89.55(12) ? . . . .
Ca(3) Ca(2) O(3) Ca(2) 112.07(14) ? . . . 2_554
Ca(3) Ca(2) O(3) Ca(3) 109.75(14) ? . . . 2_554
O(3) Ca(2) Ca(3) Ca(2) -150.60(2) ? . . . 5_555
O(3) Ca(2) Ca(3) Cl(1) 118.6(5) ? . . . .
O(3) Ca(2) Ca(3) P(1) 29.40(2) ? . . . .
O(3) Ca(2) Ca(3) F(1) 29.40(2) ? . . . .
O(3) Ca(2) Ca(3) Cl(1) -59.8(5) ? . . . 8_555
O(3) Ca(2) Ca(3) P(1) 29.40(2) ? . . . 3_655
O(3) Ca(2) Ca(3) O(1) -150.60(2) ? . . . 5_555
O(3) Ca(2) Ca(3) O(2) 29.40(2) ? . . . 3_655
O(3) Ca(2) Ca(3) O(3) 136.66(3) ? . . . 6_555
O(3) Ca(2) Ca(3) O(3) -77.86(6) ? . . . 9_555
O(3) Ca(2) Ca(3) O(3) 58.80(4) ? . . . 10_555
Ca(3) Ca(2) O(3) Ca(2) -157.7(2) ? . . 6_555 6_555
Ca(3) Ca(2) O(3) Ca(3) -152.5(2) ? . . 6_555 6_555
Ca(3) Ca(2) O(3) P(1) 59.2(2) ? . . 6_555 6_555
O(3) Ca(2) Ca(3) Ca(2) 72.74(5) ? 6_555 . . 5_555
O(3) Ca(2) Ca(3) Cl(1) -18.1(5) ? 6_555 . . .
O(3) Ca(2) Ca(3) P(1) -107.26(5) ? 6_555 . . .
O(3) Ca(2) Ca(3) F(1) -107.26(5) ? 6_555 . . .
O(3) Ca(2) Ca(3) O(3) -136.66(3) ? 6_555 . . .
O(3) Ca(2) Ca(3) Cl(1) 163.5(4) ? 6_555 . . 8_555
O(3) Ca(2) Ca(3) P(1) -107.26(5) ? 6_555 . . 3_655
O(3) Ca(2) Ca(3) O(1) 72.74(5) ? 6_555 . . 5_555
O(3) Ca(2) Ca(3) O(2) -107.26(5) ? 6_555 . . 3_655
O(3) Ca(2) Ca(3) O(3) 145.47(9) ? 6_555 . . 9_555
O(3) Ca(2) Ca(3) O(3) -77.86(6) ? 6_555 . . 10_555
O(3) Ca(2) Ca(3) Ca(2) -72.74(5) ? 9_555 . . 5_555
O(3) Ca(2) Ca(3) Cl(1) -163.5(4) ? 9_555 . . .
O(3) Ca(2) Ca(3) P(1) 107.26(5) ? 9_555 . . .
O(3) Ca(2) Ca(3) F(1) 107.26(5) ? 9_555 . . .
O(3) Ca(2) Ca(3) O(3) 77.86(6) ? 9_555 . . .
O(3) Ca(2) Ca(3) Cl(1) 18.1(5) ? 9_555 . . 8_555
O(3) Ca(2) Ca(3) P(1) 107.26(5) ? 9_555 . . 3_655
O(3) Ca(2) Ca(3) O(1) -72.74(5) ? 9_555 . . 5_555
O(3) Ca(2) Ca(3) O(2) 107.26(5) ? 9_555 . . 3_655
O(3) Ca(2) Ca(3) O(3) -145.47(9) ? 9_555 . . 6_555
O(3) Ca(2) Ca(3) O(3) 136.66(3) ? 9_555 . . 10_555
Ca(3) Ca(2) O(3) P(1) 89.55(12) ? . . 10_555 .
O(3) Ca(2) Ca(3) Ca(2) 150.60(2) ? 10_555 . . 5_555
O(3) Ca(2) Ca(3) Cl(1) 59.8(5) ? 10_555 . . .
O(3) Ca(2) Ca(3) P(1) -29.40(2) ? 10_555 . . .
O(3) Ca(2) Ca(3) F(1) -29.40(2) ? 10_555 . . .
O(3) Ca(2) Ca(3) O(3) -58.80(4) ? 10_555 . . .
O(3) Ca(2) Ca(3) Cl(1) -118.6(5) ? 10_555 . . 8_555
O(3) Ca(2) Ca(3) P(1) -29.40(2) ? 10_555 . . 3_655
O(3) Ca(2) Ca(3) O(1) 150.60(2) ? 10_555 . . 5_555
O(3) Ca(2) Ca(3) O(2) -29.40(2) ? 10_555 . . 3_655
O(3) Ca(2) Ca(3) O(3) 77.86(6) ? 10_555 . . 6_555
O(3) Ca(2) Ca(3) O(3) -136.66(3) ? 10_555 . . 9_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.12(3) ? . . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.12(3) ? . . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 128.83(5) ? . . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(3) 127.56(4) ? . . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) -142.42(3) ? 2_554 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -52.89(5) ? 2_554 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 52.89(5) ? 2_554 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 142.42(2) ? 2_554 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -179.1(5) ? 2_554 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -54.54(4) ? 2_554 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 54.58(5) ? 2_554 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -128.83(5) ? . . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.12(3) ? . . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.12(3) ? . . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 128.83(5) ? . . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -127.56(4) ? . . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) 0.09(5) ? . . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.61(4) ? . . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) 37.58(3) ? 7_556 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) 127.11(5) ? 7_556 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -127.11(5) ? 7_556 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -37.58(2) ? 7_556 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) 0.9(5) ? 7_556 . . .
Cl(1) Ca(2) Cl(1) Ca(3) 125.46(4) ? 7_556 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -125.42(5) ? 7_556 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 52.89(5) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -52.89(5) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 179.1(5) ? . . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 54.54(4) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -54.58(5) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -142.42(3) ? 8_555 . . 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -52.89(5) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 52.89(5) ? 8_555 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 142.42(2) ? 8_555 . . 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -179.1(5) ? 8_555 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -54.54(4) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 54.58(5) ? 8_555 . . 5_555
Cl(1) Ca(2) P(1) Ca(1) 121.12(5) ? . . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -173.08(5) ? . . . 7_665
Cl(1) Ca(2) P(1) Ca(3) 154.02(5) ? . . . .
Cl(1) Ca(2) P(1) O(1) -25.98(5) ? . . . .
Cl(1) Ca(2) P(1) O(2) 154.02(5) ? . . . .
Cl(1) Ca(2) P(1) O(3) -113.00(9) ? . . . .
Cl(1) Ca(2) P(1) Ca(3) 154.02(5) ? . . . 5_665
Cl(1) Ca(2) P(1) O(3) 61.04(5) ? . . . 10_555
P(1) Ca(2) Cl(1) Ca(2) -54.51(3) ? . . . 2_555
P(1) Ca(2) Cl(1) Ca(2) 35.02(5) ? . . . 3_555
P(1) Ca(2) Cl(1) Ca(2) -92.09(6) ? . . . 4_555
P(1) Ca(2) Cl(1) Ca(2) 140.80(5) ? . . . 5_555
P(1) Ca(2) Cl(1) Ca(2) -129.67(3) ? . . . 6_555
P(1) Ca(2) Cl(1) Ca(3) -91.2(5) ? . . . .
P(1) Ca(2) Cl(1) F(1) 87.91(2) ? . . . .
P(1) Ca(2) Cl(1) Ca(3) 33.36(5) ? . . . 3_555
P(1) Ca(2) Cl(1) Ca(3) 142.49(5) ? . . . 5_555
P(1) Ca(2) Cl(1) Cl(1) -92.09(2) ? . . . 7_556
P(1) Ca(2) Cl(1) Cl(1) 87.91(2) ? . . . 8_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
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
F(1) Ca(2) Cl(1) Ca(2) -142.42(3) ? . . . 2_555
F(1) Ca(2) Cl(1) Ca(2) -52.89(5) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(2) 52.89(5) ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(2) 142.42(2) ? . . . 6_555
F(1) Ca(2) Cl(1) Ca(3) -179.1(5) ? . . . .
F(1) Ca(2) Cl(1) Ca(3) -54.54(4) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(3) 54.58(5) ? . . . 5_555
Cl(1) Ca(2) O(1) P(1) 26.82(6) ? . . 5_555 5_555
Cl(1) Ca(2) O(1) Ca(3) -153.18(6) ? . . 5_555 .
O(1) Ca(2) Cl(1) Ca(2) 120.37(4) ? 5_555 . . 2_555
O(1) Ca(2) Cl(1) Ca(2) -150.10(5) ? 5_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(2) 82.79(7) ? 5_555 . . 4_555
O(1) Ca(2) Cl(1) Ca(2) -44.33(7) ? 5_555 . . 5_555
O(1) Ca(2) Cl(1) Ca(2) 45.20(5) ? 5_555 . . 6_555
O(1) Ca(2) Cl(1) Ca(3) 83.7(5) ? 5_555 . . .
O(1) Ca(2) Cl(1) F(1) -97.21(4) ? 5_555 . . .
O(1) Ca(2) Cl(1) Ca(3) -151.76(5) ? 5_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(3) -42.63(7) ? 5_555 . . 5_555
O(1) Ca(2) Cl(1) Cl(1) 82.79(4) ? 5_555 . . 7_556
O(1) Ca(2) Cl(1) Cl(1) -97.21(4) ? 5_555 . . 8_555
Cl(1) Ca(2) O(2) Ca(1) 1.83(12) ? . . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -97.88(9) ? . . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) 131.97(10) ? . . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 131.97(10) ? . . 3_655 .
O(2) Ca(2) Cl(1) Ca(2) -10.45(11) ? 3_655 . . 2_555
O(2) Ca(2) Cl(1) Ca(2) 79.08(13) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(2) -48.03(13) ? 3_655 . . 4_555
O(2) Ca(2) Cl(1) Ca(2) -175.14(9) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) Ca(2) -85.61(9) ? 3_655 . . 6_555
O(2) Ca(2) Cl(1) Ca(3) -47.1(5) ? 3_655 . . .
O(2) Ca(2) Cl(1) F(1) 131.97(10) ? 3_655 . . .
O(2) Ca(2) Cl(1) Ca(3) 77.43(13) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(3) -173.45(8) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) Cl(1) -48.03(10) ? 3_655 . . 7_556
O(2) Ca(2) Cl(1) Cl(1) 131.97(10) ? 3_655 . . 8_555
Cl(1) Ca(2) O(3) Ca(1) 160.06(5) ? . . . 7_665
Cl(1) Ca(2) O(3) Ca(3) 157.25(13) ? . . . .
Cl(1) Ca(2) O(3) P(1) 67.70(6) ? . . . .
Cl(1) Ca(2) O(3) Ca(2) -90.67(9) ? . . . 2_554
Cl(1) Ca(2) O(3) Ca(3) -93.00(8) ? . . . 2_554
O(3) Ca(2) Cl(1) Ca(2) -81.52(4) ? . . . 2_555
O(3) Ca(2) Cl(1) Ca(2) 8.01(7) ? . . . 3_555
O(3) Ca(2) Cl(1) Ca(2) -119.10(6) ? . . . 4_555
O(3) Ca(2) Cl(1) Ca(2) 113.79(5) ? . . . 5_555
O(3) Ca(2) Cl(1) Ca(2) -156.68(4) ? . . . 6_555
O(3) Ca(2) Cl(1) Ca(3) -118.2(5) ? . . . .
O(3) Ca(2) Cl(1) F(1) 60.90(3) ? . . . .
O(3) Ca(2) Cl(1) Ca(3) 6.35(6) ? . . . 3_555
O(3) Ca(2) Cl(1) Ca(3) 115.48(5) ? . . . 5_555
O(3) Ca(2) Cl(1) Cl(1) -119.10(3) ? . . . 7_556
O(3) Ca(2) Cl(1) Cl(1) 60.90(3) ? . . . 8_555
Cl(1) Ca(2) O(3) Ca(2) 30.18(4) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 35.37(4) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) P(1) -112.88(12) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) -172.1(2) ? . . 6_555 .
O(3) Ca(2) Cl(1) Ca(2) 54.36(3) ? 6_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(2) 143.89(5) ? 6_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) 16.78(7) ? 6_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(2) -110.34(5) ? 6_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(2) -20.81(3) ? 6_555 . . 6_555
O(3) Ca(2) Cl(1) Ca(3) 17.7(5) ? 6_555 . . .
O(3) Ca(2) Cl(1) F(1) -163.22(2) ? 6_555 . . .
O(3) Ca(2) Cl(1) Ca(3) 142.23(5) ? 6_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) -108.64(5) ? 6_555 . . 5_555
O(3) Ca(2) Cl(1) Cl(1) 16.78(2) ? 6_555 . . 7_556
O(3) Ca(2) Cl(1) Cl(1) -163.22(2) ? 6_555 . . 8_555
Cl(1) Ca(2) O(3) Ca(3) -170.7(2) ? . . 9_555 .
O(3) Ca(2) Cl(1) Ca(2) -164.15(5) ? 9_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(2) -74.62(6) ? 9_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) 158.26(5) ? 9_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(2) 31.15(8) ? 9_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(2) 120.68(6) ? 9_555 . . 6_555
O(3) Ca(2) Cl(1) Ca(3) 159.2(6) ? 9_555 . . .
O(3) Ca(2) Cl(1) F(1) -21.74(4) ? 9_555 . . .
O(3) Ca(2) Cl(1) Ca(3) -76.28(5) ? 9_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) 32.85(8) ? 9_555 . . 5_555
O(3) Ca(2) Cl(1) Cl(1) 158.26(4) ? 9_555 . . 7_556
O(3) Ca(2) Cl(1) Cl(1) -21.74(4) ? 9_555 . . 8_555
Cl(1) Ca(2) O(3) Ca(3) 156.67(13) ? . . 10_555 .
Cl(1) Ca(2) O(3) P(1) -113.78(5) ? . . 10_555 .
O(3) Ca(2) Cl(1) Ca(2) -27.82(3) ? 10_555 . . 2_555
O(3) Ca(2) Cl(1) Ca(2) 61.71(5) ? 10_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) -65.40(7) ? 10_555 . . 4_555
O(3) Ca(2) Cl(1) Ca(2) 167.49(6) ? 10_555 . . 5_555
O(3) Ca(2) Cl(1) Ca(2) -102.98(4) ? 10_555 . . 6_555
O(3) Ca(2) Cl(1) Ca(3) -64.5(5) ? 10_555 . . .
O(3) Ca(2) Cl(1) F(1) 114.60(3) ? 10_555 . . .
O(3) Ca(2) Cl(1) Ca(3) 60.06(5) ? 10_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) 169.18(6) ? 10_555 . . 5_555
O(3) Ca(2) Cl(1) Cl(1) -65.40(3) ? 10_555 . . 7_556
O(3) Ca(2) Cl(1) Cl(1) 114.60(3) ? 10_555 . . 8_555
Cl(1) Ca(2) Cl(1) Ca(2) -128.83(5) ? 2_554 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.12(3) ? 2_554 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.12(3) ? 2_554 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 128.83(5) ? 2_554 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -127.56(4) ? 2_554 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) 0.09(5) ? 2_554 . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.61(4) ? 2_554 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.12(3) ? 7_556 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.12(3) ? 7_556 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 128.83(5) ? 7_556 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(3) 127.56(4) ? 7_556 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(2) -127.11(5) ? 2_554 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 127.11(5) ? 2_554 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -0.9(5) ? 2_554 . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) -125.46(4) ? 2_554 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 125.42(5) ? 2_554 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.12(3) ? 8_555 . 2_554 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.12(3) ? 8_555 . 2_554 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 128.83(5) ? 8_555 . 2_554 2_554
Cl(1) Ca(2) Cl(1) Ca(3) 127.56(4) ? 8_555 . 2_554 2_554
Cl(1) Ca(2) P(1) Ca(1) -167.57(5) ? 2_554 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -101.77(4) ? 2_554 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) -134.67(4) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(1) 45.33(4) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(2) -134.67(4) ? 2_554 . . .
Cl(1) Ca(2) P(1) O(3) -41.69(4) ? 2_554 . . .
Cl(1) Ca(2) P(1) Ca(3) -134.67(4) ? 2_554 . . 5_665
Cl(1) Ca(2) P(1) O(3) 132.35(9) ? 2_554 . . 10_555
P(1) Ca(2) Cl(1) Ca(2) -47.48(4) ? . . 2_554 3_555
P(1) Ca(2) Cl(1) Ca(2) -125.72(6) ? . . 2_554 5_555
P(1) Ca(2) Cl(1) Ca(2) 42.22(6) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) Ca(3) 40.95(5) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) F(1) 93.40(4) ? . . 2_554 2_554
P(1) Ca(2) Cl(1) Cl(1) -86.60(4) ? . . 2_554 8_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
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
F(1) Ca(2) Cl(1) Ca(2) 39.12(3) ? . . 2_554 3_555
F(1) Ca(2) Cl(1) Ca(2) -39.12(3) ? . . 2_554 5_555
F(1) Ca(2) Cl(1) Ca(2) 128.83(5) ? . . 2_554 2_554
F(1) Ca(2) Cl(1) Ca(3) 127.56(4) ? . . 2_554 2_554
Cl(1) Ca(2) O(1) P(1) -46.38(5) ? 2_554 . 5_555 5_555
Cl(1) Ca(2) O(1) Ca(3) 133.62(5) ? 2_554 . 5_555 .
O(1) Ca(2) Cl(1) Ca(2) 140.74(7) ? 5_555 . 2_554 3_555
O(1) Ca(2) Cl(1) Ca(2) 62.50(6) ? 5_555 . 2_554 5_555
O(1) Ca(2) Cl(1) Ca(2) -129.55(7) ? 5_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Ca(3) -130.82(7) ? 5_555 . 2_554 2_554
O(1) Ca(2) Cl(1) F(1) -78.38(6) ? 5_555 . 2_554 2_554
O(1) Ca(2) Cl(1) Cl(1) 101.62(6) ? 5_555 . 2_554 8_555
Cl(1) Ca(2) O(2) Ca(1) 116.43(5) ? 2_554 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) 16.71(8) ? 2_554 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) -113.43(6) ? 2_554 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -113.43(6) ? 2_554 . 3_655 .
O(2) Ca(2) Cl(1) Ca(2) -106.50(7) ? 3_655 . 2_554 3_555
O(2) Ca(2) Cl(1) Ca(2) 175.26(8) ? 3_655 . 2_554 5_555
O(2) Ca(2) Cl(1) Ca(2) -16.80(9) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) Ca(3) -18.07(8) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) F(1) 34.38(8) ? 3_655 . 2_554 2_554
O(2) Ca(2) Cl(1) Cl(1) -145.62(8) ? 3_655 . 2_554 8_555
Cl(1) Ca(2) O(3) Ca(1) -134.53(4) ? 2_554 . . 7_665
Cl(1) Ca(2) O(3) Ca(3) -137.34(12) ? 2_554 . . .
Cl(1) Ca(2) O(3) P(1) 133.10(4) ? 2_554 . . .
Cl(1) Ca(2) O(3) Ca(2) -25.27(10) ? 2_554 . . 2_554
Cl(1) Ca(2) O(3) Ca(3) -27.59(10) ? 2_554 . . 2_554
O(3) Ca(2) Cl(1) Ca(2) -68.46(4) ? . . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) -146.70(6) ? . . 2_554 5_555
O(3) Ca(2) Cl(1) Ca(2) 21.25(6) ? . . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(3) 19.98(5) ? . . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) 72.42(4) ? . . 2_554 2_554
O(3) Ca(2) Cl(1) Cl(1) -107.58(4) ? . . 2_554 8_555
Cl(1) Ca(2) O(3) Ca(2) -0.03(9) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 5.15(13) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(3) P(1) -143.10(6) ? 2_554 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 157.7(2) ? 2_554 . 6_555 .
O(3) Ca(2) Cl(1) Ca(2) 70.75(11) ? 6_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) -7.48(11) ? 6_555 . 2_554 5_555
O(3) Ca(2) Cl(1) Ca(2) 160.46(11) ? 6_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(3) 159.19(11) ? 6_555 . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) -148.37(10) ? 6_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Cl(1) 31.63(10) ? 6_555 . 2_554 8_555
Cl(1) Ca(2) O(3) Ca(3) 165.9(2) ? 2_554 . 9_555 .
O(3) Ca(2) Cl(1) Ca(2) -159.68(4) ? 9_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) 122.08(3) ? 9_555 . 2_554 5_555
O(3) Ca(2) Cl(1) Ca(2) -69.97(5) ? 9_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(3) -71.24(4) ? 9_555 . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) -18.80(3) ? 9_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Cl(1) 161.20(3) ? 9_555 . 2_554 8_555
Cl(1) Ca(2) O(3) Ca(3) -139.73(13) ? 2_554 . 10_555 .
Cl(1) Ca(2) O(3) P(1) -50.18(7) ? 2_554 . 10_555 .
O(3) Ca(2) Cl(1) Ca(2) -25.36(6) ? 10_555 . 2_554 3_555
O(3) Ca(2) Cl(1) Ca(2) -103.60(7) ? 10_555 . 2_554 5_555
O(3) Ca(2) Cl(1) Ca(2) 64.35(8) ? 10_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Ca(3) 63.07(7) ? 10_555 . 2_554 2_554
O(3) Ca(2) Cl(1) F(1) 115.52(6) ? 10_555 . 2_554 2_554
O(3) Ca(2) Cl(1) Cl(1) -64.48(6) ? 10_555 . 2_554 8_555
Cl(1) Ca(2) Cl(1) Ca(2) 52.89(5) ? 7_556 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -52.89(5) ? 7_556 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 179.1(5) ? 7_556 . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 54.54(4) ? 7_556 . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -54.58(5) ? 7_556 . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -128.83(5) ? 8_555 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(2) -39.12(3) ? 8_555 . 7_556 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 39.12(3) ? 8_555 . 7_556 5_555
Cl(1) Ca(2) Cl(1) Ca(2) 128.83(5) ? 8_555 . 7_556 6_555
Cl(1) Ca(2) Cl(1) Ca(3) -127.56(4) ? 8_555 . 7_556 2_555
Cl(1) Ca(2) Cl(1) Ca(3) 0.09(5) ? 8_555 . 7_556 4_555
Cl(1) Ca(2) Cl(1) Ca(3) 127.61(4) ? 8_555 . 7_556 6_555
Cl(1) Ca(2) P(1) Ca(1) 101.77(4) ? 7_556 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) 167.57(5) ? 7_556 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) 134.67(4) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(1) -45.33(4) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(2) 134.67(4) ? 7_556 . . .
Cl(1) Ca(2) P(1) O(3) -132.35(9) ? 7_556 . . .
Cl(1) Ca(2) P(1) Ca(3) 134.67(4) ? 7_556 . . 5_665
Cl(1) Ca(2) P(1) O(3) 41.69(4) ? 7_556 . . 10_555
P(1) Ca(2) Cl(1) Ca(2) -42.22(6) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) Ca(2) 47.48(4) ? . . 7_556 3_555
P(1) Ca(2) Cl(1) Ca(2) 86.60(7) ? . . 7_556 4_555
P(1) Ca(2) Cl(1) Ca(2) 125.72(6) ? . . 7_556 5_555
P(1) Ca(2) Cl(1) Ca(2) -144.57(6) ? . . 7_556 6_555
P(1) Ca(2) Cl(1) Ca(3) -40.95(5) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) Ca(3) 86.69(6) ? . . 7_556 4_555
P(1) Ca(2) Cl(1) Ca(3) -145.79(6) ? . . 7_556 6_555
P(1) Ca(2) Cl(1) Cl(1) 86.60(4) ? . . 7_556 .
P(1) Ca(2) Cl(1) Cl(1) -93.40(4) ? . . 7_556 2_555
P(1) Ca(2) Cl(1) F(1) -93.40(4) ? . . 7_556 2_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
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
F(1) Ca(2) Cl(1) Ca(2) -128.83(5) ? . . 7_556 2_555
F(1) Ca(2) Cl(1) Ca(2) -39.12(3) ? . . 7_556 3_555
F(1) Ca(2) Cl(1) Ca(2) 39.12(3) ? . . 7_556 5_555
F(1) Ca(2) Cl(1) Ca(2) 128.83(5) ? . . 7_556 6_555
F(1) Ca(2) Cl(1) Ca(3) -127.56(4) ? . . 7_556 2_555
F(1) Ca(2) Cl(1) Ca(3) 0.09(5) ? . . 7_556 4_555
F(1) Ca(2) Cl(1) Ca(3) 127.61(4) ? . . 7_556 6_555
Cl(1) Ca(2) O(1) P(1) 46.38(5) ? 7_556 . 5_555 5_555
Cl(1) Ca(2) O(1) Ca(3) -133.62(5) ? 7_556 . 5_555 .
O(1) Ca(2) Cl(1) Ca(2) 129.55(7) ? 5_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(2) -140.74(7) ? 5_555 . 7_556 3_555
O(1) Ca(2) Cl(1) Ca(2) -101.62(8) ? 5_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(2) -62.50(6) ? 5_555 . 7_556 5_555
O(1) Ca(2) Cl(1) Ca(2) 27.20(7) ? 5_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Ca(3) 130.82(7) ? 5_555 . 7_556 2_555
O(1) Ca(2) Cl(1) Ca(3) -101.54(7) ? 5_555 . 7_556 4_555
O(1) Ca(2) Cl(1) Ca(3) 25.98(7) ? 5_555 . 7_556 6_555
O(1) Ca(2) Cl(1) Cl(1) -101.62(6) ? 5_555 . 7_556 .
O(1) Ca(2) Cl(1) Cl(1) 78.38(6) ? 5_555 . 7_556 2_555
O(1) Ca(2) Cl(1) F(1) 78.38(6) ? 5_555 . 7_556 2_555
Cl(1) Ca(2) O(2) Ca(1) -16.71(8) ? 7_556 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -116.43(5) ? 7_556 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) 113.43(6) ? 7_556 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 113.43(6) ? 7_556 . 3_655 .
O(2) Ca(2) Cl(1) Ca(2) 16.80(9) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) Ca(2) 106.50(7) ? 3_655 . 7_556 3_555
O(2) Ca(2) Cl(1) Ca(2) 145.62(8) ? 3_655 . 7_556 4_555
O(2) Ca(2) Cl(1) Ca(2) -175.26(8) ? 3_655 . 7_556 5_555
O(2) Ca(2) Cl(1) Ca(2) -85.55(8) ? 3_655 . 7_556 6_555
O(2) Ca(2) Cl(1) Ca(3) 18.07(8) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) Ca(3) 145.71(7) ? 3_655 . 7_556 4_555
O(2) Ca(2) Cl(1) Ca(3) -86.77(8) ? 3_655 . 7_556 6_555
O(2) Ca(2) Cl(1) Cl(1) 145.62(8) ? 3_655 . 7_556 .
O(2) Ca(2) Cl(1) Cl(1) -34.38(8) ? 3_655 . 7_556 2_555
O(2) Ca(2) Cl(1) F(1) -34.38(8) ? 3_655 . 7_556 2_555
Cl(1) Ca(2) O(3) Ca(1) 142.54(6) ? 7_556 . . 7_665
Cl(1) Ca(2) O(3) Ca(3) 139.73(13) ? 7_556 . . .
Cl(1) Ca(2) O(3) P(1) 50.18(7) ? 7_556 . . .
Cl(1) Ca(2) O(3) Ca(2) -108.19(9) ? 7_556 . . 2_554
Cl(1) Ca(2) O(3) Ca(3) -110.52(8) ? 7_556 . . 2_554
O(3) Ca(2) Cl(1) Ca(2) -64.35(8) ? . . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) 25.36(6) ? . . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) 64.48(9) ? . . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) 103.60(7) ? . . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) -166.69(8) ? . . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(3) -63.07(7) ? . . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) 64.57(8) ? . . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) -167.91(7) ? . . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) 64.48(6) ? . . 7_556 .
O(3) Ca(2) Cl(1) Cl(1) -115.52(6) ? . . 7_556 2_555
O(3) Ca(2) Cl(1) F(1) -115.52(6) ? . . 7_556 2_555
Cl(1) Ca(2) O(3) Ca(2) 36.39(4) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 41.58(4) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(3) P(1) -106.67(12) ? 7_556 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) -165.9(2) ? 7_556 . 6_555 .
O(3) Ca(2) Cl(1) Ca(2) 69.97(5) ? 6_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) 159.68(4) ? 6_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) -161.20(5) ? 6_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) -122.08(3) ? 6_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) -32.37(5) ? 6_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(3) 71.24(4) ? 6_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) -161.11(4) ? 6_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) -33.59(4) ? 6_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) -161.20(3) ? 6_555 . 7_556 .
O(3) Ca(2) Cl(1) Cl(1) 18.80(3) ? 6_555 . 7_556 2_555
O(3) Ca(2) Cl(1) F(1) 18.80(3) ? 6_555 . 7_556 2_555
Cl(1) Ca(2) O(3) Ca(3) -157.7(2) ? 7_556 . 9_555 .
O(3) Ca(2) Cl(1) Ca(2) -160.46(11) ? 9_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) -70.75(11) ? 9_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) -31.63(14) ? 9_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) 7.48(11) ? 9_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) 97.19(12) ? 9_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(3) -159.19(11) ? 9_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) -31.55(13) ? 9_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) 95.97(12) ? 9_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) -31.63(10) ? 9_555 . 7_556 .
O(3) Ca(2) Cl(1) Cl(1) 148.37(10) ? 9_555 . 7_556 2_555
O(3) Ca(2) Cl(1) F(1) 148.37(10) ? 9_555 . 7_556 2_555
Cl(1) Ca(2) O(3) Ca(3) 137.34(12) ? 7_556 . 10_555 .
Cl(1) Ca(2) O(3) P(1) -133.10(4) ? 7_556 . 10_555 .
O(3) Ca(2) Cl(1) Ca(2) -21.25(6) ? 10_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(2) 68.46(4) ? 10_555 . 7_556 3_555
O(3) Ca(2) Cl(1) Ca(2) 107.58(7) ? 10_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(2) 146.70(6) ? 10_555 . 7_556 5_555
O(3) Ca(2) Cl(1) Ca(2) -123.59(7) ? 10_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Ca(3) -19.98(5) ? 10_555 . 7_556 2_555
O(3) Ca(2) Cl(1) Ca(3) 107.67(6) ? 10_555 . 7_556 4_555
O(3) Ca(2) Cl(1) Ca(3) -124.81(6) ? 10_555 . 7_556 6_555
O(3) Ca(2) Cl(1) Cl(1) 107.58(4) ? 10_555 . 7_556 .
O(3) Ca(2) Cl(1) Cl(1) -72.42(4) ? 10_555 . 7_556 2_555
O(3) Ca(2) Cl(1) F(1) -72.42(4) ? 10_555 . 7_556 2_555
Cl(1) Ca(2) P(1) Ca(1) 173.08(5) ? 8_555 . . 2_655
Cl(1) Ca(2) P(1) Ca(1) -121.12(5) ? 8_555 . . 7_665
Cl(1) Ca(2) P(1) Ca(3) -154.02(5) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(1) 25.98(5) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(2) -154.02(5) ? 8_555 . . .
Cl(1) Ca(2) P(1) O(3) -61.04(5) ? 8_555 . . .
Cl(1) Ca(2) P(1) Ca(3) -154.02(5) ? 8_555 . . 5_665
Cl(1) Ca(2) P(1) O(3) 113.00(9) ? 8_555 . . 10_555
P(1) Ca(2) Cl(1) Ca(2) -35.02(5) ? . . 8_555 3_555
P(1) Ca(2) Cl(1) Ca(2) -140.80(5) ? . . 8_555 5_555
P(1) Ca(2) Cl(1) Ca(3) 91.2(5) ? . . 8_555 .
P(1) Ca(2) Cl(1) Ca(3) -33.36(5) ? . . 8_555 3_555
P(1) Ca(2) Cl(1) Ca(3) -142.49(5) ? . . 8_555 5_555
P(1) Ca(2) Cl(1) Cl(1) -87.91(2) ? . . 8_555 .
P(1) Ca(2) Cl(1) F(1) -87.91(2) ? . . 8_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
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
F(1) Ca(2) Cl(1) Ca(2) 52.89(5) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(2) -52.89(5) ? . . 8_555 5_555
F(1) Ca(2) Cl(1) Ca(3) 179.1(5) ? . . 8_555 .
F(1) Ca(2) Cl(1) Ca(3) 54.54(4) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(3) -54.58(5) ? . . 8_555 5_555
Cl(1) Ca(2) O(1) P(1) -26.82(6) ? 8_555 . 5_555 5_555
Cl(1) Ca(2) O(1) Ca(3) 153.18(6) ? 8_555 . 5_555 .
O(1) Ca(2) Cl(1) Ca(2) 150.10(5) ? 5_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) 44.33(7) ? 5_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Ca(3) -83.7(5) ? 5_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) 151.76(5) ? 5_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) 42.63(7) ? 5_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Cl(1) 97.21(4) ? 5_555 . 8_555 .
O(1) Ca(2) Cl(1) F(1) 97.21(4) ? 5_555 . 8_555 .
Cl(1) Ca(2) O(2) Ca(1) 97.88(9) ? 8_555 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -1.83(12) ? 8_555 . 3_655 7_665
Cl(1) Ca(2) O(2) P(1) -131.97(10) ? 8_555 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -131.97(10) ? 8_555 . 3_655 .
O(2) Ca(2) Cl(1) Ca(2) -79.08(13) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(2) 175.14(9) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) Ca(3) 47.1(5) ? 3_655 . 8_555 .
O(2) Ca(2) Cl(1) Ca(3) -77.43(13) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(3) 173.45(8) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) Cl(1) -131.97(10) ? 3_655 . 8_555 .
O(2) Ca(2) Cl(1) F(1) -131.97(10) ? 3_655 . 8_555 .
Cl(1) Ca(2) O(3) Ca(1) -153.86(5) ? 8_555 . . 7_665
Cl(1) Ca(2) O(3) Ca(3) -156.67(13) ? 8_555 . . .
Cl(1) Ca(2) O(3) P(1) 113.78(5) ? 8_555 . . .
Cl(1) Ca(2) O(3) Ca(2) -44.60(11) ? 8_555 . . 2_554
Cl(1) Ca(2) O(3) Ca(3) -46.92(10) ? 8_555 . . 2_554
O(3) Ca(2) Cl(1) Ca(2) -61.71(5) ? . . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -167.49(6) ? . . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(3) 64.5(5) ? . . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -60.06(5) ? . . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -169.18(6) ? . . 8_555 5_555
O(3) Ca(2) Cl(1) Cl(1) -114.60(3) ? . . 8_555 .
O(3) Ca(2) Cl(1) F(1) -114.60(3) ? . . 8_555 .
Cl(1) Ca(2) O(3) Ca(2) 13.02(7) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 18.20(8) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) P(1) -130.04(9) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 170.7(2) ? 8_555 . 6_555 .
O(3) Ca(2) Cl(1) Ca(2) 74.62(6) ? 6_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -31.15(8) ? 6_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(3) -159.2(6) ? 6_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) 76.28(5) ? 6_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -32.85(8) ? 6_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Cl(1) 21.74(4) ? 6_555 . 8_555 .
O(3) Ca(2) Cl(1) F(1) 21.74(4) ? 6_555 . 8_555 .
Cl(1) Ca(2) O(3) Ca(3) 172.1(2) ? 8_555 . 9_555 .
O(3) Ca(2) Cl(1) Ca(2) -143.89(5) ? 9_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) 110.34(5) ? 9_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(3) -17.7(5) ? 9_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -142.23(5) ? 9_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) 108.64(5) ? 9_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Cl(1) 163.22(2) ? 9_555 . 8_555 .
O(3) Ca(2) Cl(1) F(1) 163.22(2) ? 9_555 . 8_555 .
Cl(1) Ca(2) O(3) Ca(3) -157.25(13) ? 8_555 . 10_555 .
Cl(1) Ca(2) O(3) P(1) -67.70(6) ? 8_555 . 10_555 .
O(3) Ca(2) Cl(1) Ca(2) -8.01(7) ? 10_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -113.79(5) ? 10_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Ca(3) 118.2(5) ? 10_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -6.35(6) ? 10_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -115.48(5) ? 10_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Cl(1) -60.90(3) ? 10_555 . 8_555 .
O(3) Ca(2) Cl(1) F(1) -60.90(3) ? 10_555 . 8_555 .
P(1) Ca(2) F(1) Cl(1) -90.0 ? . . . .
P(1) Ca(2) F(1) Cl(1) 90.0 ? . . . 8_555
F(1) Ca(2) P(1) Ca(1) 147.100(7) ? . . . 2_655
F(1) Ca(2) P(1) Ca(1) -147.101(7) ? . . . 7_665
F(1) Ca(2) P(1) O(3) -87.02(5) ? . . . .
F(1) Ca(2) P(1) O(3) 87.02(5) ? . . . 10_555
O(1) Ca(2) P(1) Ca(1) -32.900(7) ? 5_555 . . 2_655
O(1) Ca(2) P(1) Ca(1) 32.899(7) ? 5_555 . . 7_665
O(1) Ca(2) P(1) O(3) 92.98(5) ? 5_555 . . .
O(1) Ca(2) P(1) O(3) -92.98(5) ? 5_555 . . 10_555
P(1) Ca(2) O(2) Ca(1) 49.86(2) ? . . 3_655 2_655
P(1) Ca(2) O(2) Ca(1) -49.86(2) ? . . 3_655 7_665
O(2) Ca(2) P(1) Ca(1) -32.900(7) ? 3_655 . . 2_655
O(2) Ca(2) P(1) Ca(1) 32.899(7) ? 3_655 . . 7_665
O(2) Ca(2) P(1) O(3) 92.98(5) ? 3_655 . . .
O(2) Ca(2) P(1) O(3) -92.98(5) ? 3_655 . . 10_555
P(1) Ca(2) O(3) Ca(1) 92.36(3) ? . . . 7_665
P(1) Ca(2) O(3) Ca(3) 89.55(12) ? . . . .
P(1) Ca(2) O(3) Ca(2) -158.37(10) ? . . . 2_554
P(1) Ca(2) O(3) Ca(3) -160.70(10) ? . . . 2_554
O(3) Ca(2) P(1) Ca(1) -125.88(6) ? . . . 2_655
O(3) Ca(2) P(1) Ca(1) -60.08(5) ? . . . 7_665
O(3) Ca(2) P(1) Ca(3) -92.98(5) ? . . . .
O(3) Ca(2) P(1) O(1) 87.02(5) ? . . . .
O(3) Ca(2) P(1) O(2) -92.98(5) ? . . . .
O(3) Ca(2) P(1) Ca(3) -92.98(5) ? . . . 5_665
O(3) Ca(2) P(1) O(3) 174.03(10) ? . . . 10_555
P(1) Ca(2) O(3) Ca(2) 112.50(8) ? . . 6_555 6_555
P(1) Ca(2) O(3) Ca(3) 117.68(8) ? . . 6_555 6_555
P(1) Ca(2) O(3) P(1) -30.56(19) ? . . 6_555 6_555
P(1) Ca(2) O(3) Ca(3) -89.8(2) ? . . 6_555 .
O(3) Ca(2) P(1) Ca(1) 42.57(10) ? 6_555 . . 2_655
O(3) Ca(2) P(1) Ca(1) 108.37(11) ? 6_555 . . 7_665
O(3) Ca(2) P(1) Ca(3) 75.47(10) ? 6_555 . . .
O(3) Ca(2) P(1) O(1) -104.53(10) ? 6_555 . . .
O(3) Ca(2) P(1) O(2) 75.47(10) ? 6_555 . . .
O(3) Ca(2) P(1) O(3) 168.46(15) ? 6_555 . . .
O(3) Ca(2) P(1) Ca(3) 75.47(10) ? 6_555 . . 5_665
O(3) Ca(2) P(1) O(3) -17.51(6) ? 6_555 . . 10_555
P(1) Ca(2) O(3) Ca(3) 89.8(2) ? . . 9_555 .
O(3) Ca(2) P(1) Ca(1) -108.37(11) ? 9_555 . . 2_655
O(3) Ca(2) P(1) Ca(1) -42.57(10) ? 9_555 . . 7_665
O(3) Ca(2) P(1) Ca(3) -75.47(10) ? 9_555 . . .
O(3) Ca(2) P(1) O(1) 104.53(10) ? 9_555 . . .
O(3) Ca(2) P(1) O(2) -75.47(10) ? 9_555 . . .
O(3) Ca(2) P(1) O(3) 17.51(6) ? 9_555 . . .
O(3) Ca(2) P(1) Ca(3) -75.47(10) ? 9_555 . . 5_665
O(3) Ca(2) P(1) O(3) -168.46(15) ? 9_555 . . 10_555
P(1) Ca(2) O(3) Ca(3) -89.55(12) ? . . 10_555 .
O(3) Ca(2) P(1) Ca(1) 60.08(5) ? 10_555 . . 2_655
O(3) Ca(2) P(1) Ca(1) 125.88(6) ? 10_555 . . 7_665
O(3) Ca(2) P(1) Ca(3) 92.98(5) ? 10_555 . . .
O(3) Ca(2) P(1) O(1) -87.02(5) ? 10_555 . . .
O(3) Ca(2) P(1) O(2) 92.98(5) ? 10_555 . . .
O(3) Ca(2) P(1) O(3) -174.03(10) ? 10_555 . . .
O(3) Ca(2) P(1) Ca(3) 92.98(5) ? 10_555 . . 5_665
O(1) Ca(2) F(1) Cl(1) 90.0 ? 5_555 . . .
O(1) Ca(2) F(1) Cl(1) -90.0 ? 5_555 . . 8_555
F(1) Ca(2) O(2) Ca(1) 49.86(2) ? . . 3_655 2_655
F(1) Ca(2) O(2) Ca(1) -49.86(2) ? . . 3_655 7_665
O(2) Ca(2) F(1) Cl(1) -90.0 ? 3_655 . . .
O(2) Ca(2) F(1) Cl(1) 90.0 ? 3_655 . . 8_555
F(1) Ca(2) O(3) Ca(1) -177.38(2) ? . . . 7_665
F(1) Ca(2) O(3) Ca(3) 179.81(12) ? . . . .
F(1) Ca(2) O(3) P(1) 90.26(3) ? . . . .
F(1) Ca(2) O(3) Ca(2) -68.12(9) ? . . . 2_554
F(1) Ca(2) O(3) Ca(3) -70.44(8) ? . . . 2_554
O(3) Ca(2) F(1) Ca(2) -29.418(17) ? . . . 3_555
O(3) Ca(2) F(1) Ca(2) 150.582(17) ? . . . 5_555
O(3) Ca(2) F(1) Ca(3) -29.418(17) ? . . . .
O(3) Ca(2) F(1) Cl(1) -119.418(17) ? . . . .
O(3) Ca(2) F(1) Ca(3) -29.418(17) ? . . . 3_555
O(3) Ca(2) F(1) Ca(3) 150.582(17) ? . . . 5_555
O(3) Ca(2) F(1) Cl(1) 60.582(17) ? . . . 8_555
F(1) Ca(2) O(3) Ca(2) 22.67(5) ? . . 6_555 6_555
F(1) Ca(2) O(3) Ca(3) 27.86(5) ? . . 6_555 6_555
F(1) Ca(2) O(3) P(1) -120.39(11) ? . . 6_555 6_555
F(1) Ca(2) O(3) Ca(3) -179.6(2) ? . . 6_555 .
O(3) Ca(2) F(1) Ca(2) 107.16(2) ? 6_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) -72.84(2) ? 6_555 . . 5_555
O(3) Ca(2) F(1) Ca(3) 107.16(2) ? 6_555 . . .
O(3) Ca(2) F(1) Cl(1) 17.16(2) ? 6_555 . . .
O(3) Ca(2) F(1) Ca(3) 107.16(2) ? 6_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) -72.84(2) ? 6_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) -162.84(2) ? 6_555 . . 8_555
F(1) Ca(2) O(3) Ca(3) 179.6(2) ? . . 9_555 .
O(3) Ca(2) F(1) Ca(2) -107.16(2) ? 9_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) 72.84(2) ? 9_555 . . 5_555
O(3) Ca(2) F(1) Ca(3) -107.16(2) ? 9_555 . . .
O(3) Ca(2) F(1) Cl(1) 162.84(2) ? 9_555 . . .
O(3) Ca(2) F(1) Ca(3) -107.16(2) ? 9_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) 72.84(2) ? 9_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) -17.16(2) ? 9_555 . . 8_555
F(1) Ca(2) O(3) Ca(3) -179.81(12) ? . . 10_555 .
F(1) Ca(2) O(3) P(1) -90.26(3) ? . . 10_555 .
O(3) Ca(2) F(1) Ca(2) 29.418(17) ? 10_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) -150.582(17) ? 10_555 . . 5_555
O(3) Ca(2) F(1) Ca(3) 29.418(17) ? 10_555 . . .
O(3) Ca(2) F(1) Cl(1) -60.582(17) ? 10_555 . . .
O(3) Ca(2) F(1) Ca(3) 29.418(17) ? 10_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) -150.582(17) ? 10_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) 119.418(17) ? 10_555 . . 8_555
O(1) Ca(2) O(2) Ca(1) -130.14(2) ? 5_555 . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) 130.14(2) ? 5_555 . 3_655 7_665
O(1) Ca(2) O(3) Ca(1) -64.9(2) ? 5_555 . . 7_665
O(1) Ca(2) O(3) Ca(3) -67.7(2) ? 5_555 . . .
O(1) Ca(2) O(3) P(1) -157.3(2) ? 5_555 . . .
O(1) Ca(2) O(3) Ca(2) 44.3(2) ? 5_555 . . 2_554
O(1) Ca(2) O(3) Ca(3) 42.0(3) ? 5_555 . . 2_554
O(3) Ca(2) O(1) P(1) -106.7(2) ? . . 5_555 5_555
O(3) Ca(2) O(1) Ca(3) 73.3(2) ? . . 5_555 .
O(1) Ca(2) O(3) Ca(2) -79.25(7) ? 5_555 . 6_555 6_555
O(1) Ca(2) O(3) Ca(3) -74.06(7) ? 5_555 . 6_555 6_555
O(1) Ca(2) O(3) P(1) 137.69(9) ? 5_555 . 6_555 6_555
O(1) Ca(2) O(3) Ca(3) 78.5(2) ? 5_555 . 6_555 .
O(3) Ca(2) O(1) P(1) 100.68(6) ? 6_555 . 5_555 5_555
O(3) Ca(2) O(1) Ca(3) -79.32(6) ? 6_555 . 5_555 .
O(1) Ca(2) O(3) Ca(3) -78.5(2) ? 5_555 . 9_555 .
O(3) Ca(2) O(1) P(1) -100.68(6) ? 9_555 . 5_555 5_555
O(3) Ca(2) O(1) Ca(3) 79.32(6) ? 9_555 . 5_555 .
O(1) Ca(2) O(3) Ca(3) 67.7(2) ? 5_555 . 10_555 .
O(1) Ca(2) O(3) P(1) 157.3(2) ? 5_555 . 10_555 .
O(3) Ca(2) O(1) P(1) 106.7(2) ? 10_555 . 5_555 5_555
O(3) Ca(2) O(1) Ca(3) -73.3(2) ? 10_555 . 5_555 .
O(2) Ca(2) O(3) Ca(1) 15.58(2) ? 3_655 . . 7_665
O(2) Ca(2) O(3) Ca(3) 12.77(11) ? 3_655 . . .
O(2) Ca(2) O(3) P(1) -76.79(3) ? 3_655 . . .
O(2) Ca(2) O(3) Ca(2) 124.84(9) ? 3_655 . . 2_554
O(2) Ca(2) O(3) Ca(3) 122.52(8) ? 3_655 . . 2_554
O(3) Ca(2) O(2) Ca(1) 80.58(2) ? . . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -19.14(3) ? . . 3_655 7_665
O(3) Ca(2) O(2) P(1) -149.28(2) ? . . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) -149.28(2) ? . . 3_655 .
O(2) Ca(2) O(3) Ca(2) 177.83(4) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) Ca(3) -176.98(4) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) P(1) 34.77(14) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) Ca(3) -24.5(2) ? 3_655 . 6_555 .
O(3) Ca(2) O(2) Ca(1) -62.08(5) ? 6_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -161.79(3) ? 6_555 . 3_655 7_665
O(3) Ca(2) O(2) P(1) 68.07(3) ? 6_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) 68.07(3) ? 6_555 . 3_655 .
O(2) Ca(2) O(3) Ca(3) 24.5(2) ? 3_655 . 9_555 .
O(3) Ca(2) O(2) Ca(1) 161.79(3) ? 9_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) 62.07(5) ? 9_555 . 3_655 7_665
O(3) Ca(2) O(2) P(1) -68.07(3) ? 9_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) -68.07(3) ? 9_555 . 3_655 .
O(2) Ca(2) O(3) Ca(3) -12.77(11) ? 3_655 . 10_555 .
O(2) Ca(2) O(3) P(1) 76.79(3) ? 3_655 . 10_555 .
O(3) Ca(2) O(2) Ca(1) 19.14(3) ? 10_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -80.58(2) ? 10_555 . 3_655 7_665
O(3) Ca(2) O(2) P(1) 149.28(2) ? 10_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) 149.28(2) ? 10_555 . 3_655 .
O(3) Ca(2) O(3) Ca(2) 120.65(18) ? . . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) 125.84(17) ? . . 6_555 6_555
O(3) Ca(2) O(3) P(1) -22.4(2) ? . . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) -81.6(2) ? . . 6_555 .
O(3) Ca(2) O(3) Ca(1) 76.35(19) ? 6_555 . . 7_665
O(3) Ca(2) O(3) Ca(3) 73.5(2) ? 6_555 . . .
O(3) Ca(2) O(3) P(1) -16.0(2) ? 6_555 . . .
O(3) Ca(2) O(3) Ca(2) -174.39(18) ? 6_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) -176.71(17) ? 6_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) 98.4(2) ? . . 9_555 .
O(3) Ca(2) O(3) Ca(1) -70.71(7) ? 9_555 . . 7_665
O(3) Ca(2) O(3) Ca(3) -73.52(13) ? 9_555 . . .
O(3) Ca(2) O(3) P(1) -163.08(6) ? 9_555 . . .
O(3) Ca(2) O(3) Ca(2) 38.55(13) ? 9_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) 36.23(13) ? 9_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) -92.97(12) ? . . 10_555 .
O(3) Ca(2) O(3) P(1) -3.42(5) ? . . 10_555 .
O(3) Ca(2) O(3) Ca(1) 95.78(5) ? 10_555 . . 7_665
O(3) Ca(2) O(3) Ca(3) 92.97(12) ? 10_555 . . .
O(3) Ca(2) O(3) P(1) 3.42(5) ? 10_555 . . .
O(3) Ca(2) O(3) Ca(2) -154.96(9) ? 10_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) -157.28(8) ? 10_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) -49.9(2) ? 6_555 . 9_555 .
O(3) Ca(2) O(3) Ca(2) -107.79(16) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) -102.61(17) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) P(1) 109.14(9) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) 49.9(2) ? 9_555 . 6_555 .
O(3) Ca(2) O(3) Ca(3) 73.52(13) ? 6_555 . 10_555 .
O(3) Ca(2) O(3) P(1) 163.08(6) ? 6_555 . 10_555 .
O(3) Ca(2) O(3) Ca(2) 103.89(6) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) 109.08(6) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) P(1) -39.17(16) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) -98.4(2) ? 10_555 . 6_555 .
O(3) Ca(2) O(3) Ca(3) -73.5(2) ? 9_555 . 10_555 .
O(3) Ca(2) O(3) P(1) 16.0(2) ? 9_555 . 10_555 .
O(3) Ca(2) O(3) Ca(3) 81.6(2) ? 10_555 . 9_555 .
Ca(2) Ca(3) Cl(1) Ca(2) -143.3(5) ? . . . 2_555
Ca(2) Ca(3) Cl(1) Ca(2) -54.2(5) ? . . . 3_555
Ca(2) Ca(3) Cl(1) Ca(2) 179.2(5) ? . . . 4_555
Ca(2) Ca(3) Cl(1) Ca(2) 52.4(5) ? . . . 5_555
Ca(2) Ca(3) Cl(1) Ca(2) 141.5(5) ? . . . 6_555
Ca(2) Ca(3) Cl(1) F(1) -0.9(5) ? . . . .
Ca(2) Ca(3) Cl(1) Ca(3) -55.9(5) ? . . . 3_555
Ca(2) Ca(3) Cl(1) Ca(3) 54.1(5) ? . . . 5_555
Ca(2) Ca(3) Cl(1) Cl(1) 179.1(5) ? . . . 7_556
Ca(2) Ca(3) Cl(1) Cl(1) -0.9(5) ? . . . 8_555
Ca(2) Ca(3) Cl(1) Ca(2) 54.2(5) ? . . 8_555 3_555
Ca(2) Ca(3) Cl(1) Ca(2) -52.4(5) ? . . 8_555 5_555
Ca(2) Ca(3) Cl(1) Ca(3) 55.9(5) ? . . 8_555 3_555
Ca(2) Ca(3) Cl(1) Ca(3) -54.1(5) ? . . 8_555 5_555
Ca(2) Ca(3) Cl(1) Cl(1) 0.9(5) ? . . 8_555 .
Ca(2) Ca(3) Cl(1) F(1) 0.9(5) ? . . 8_555 .
Ca(2) Ca(3) P(1) Ca(1) 146.673(8) ? . . . 2_655
Ca(2) Ca(3) P(1) Ca(1) -146.673(8) ? . . . 7_665
Ca(2) Ca(3) P(1) O(3) -84.06(4) ? . . . .
Ca(2) Ca(3) P(1) O(3) 84.06(4) ? . . . 10_555
Ca(2) Ca(3) P(1) Ca(1) 33.831(5) ? . . 3_655 2_655
Ca(2) Ca(3) P(1) Ca(1) -33.831(5) ? . . 3_655 7_665
Ca(2) Ca(3) P(1) O(3) -72.83(2) ? . . 3_655 3_655
Ca(2) Ca(3) F(1) Cl(1) 90.0 ? . . . .
Ca(2) Ca(3) F(1) Cl(1) -90.0 ? . . . 8_555
Ca(2) Ca(3) O(2) Ca(1) 50.70(2) ? . . 3_655 2_655
Ca(2) Ca(3) O(2) Ca(1) -50.71(2) ? . . 3_655 7_665
Ca(2) Ca(3) O(3) Ca(1) -177.22(11) ? . . . 7_665
Ca(2) Ca(3) O(3) P(1) 91.03(12) ? . . . .
Ca(2) Ca(3) O(3) Ca(2) -70.14(15) ? . . . 2_554
Ca(2) Ca(3) O(3) Ca(3) -73.02(14) ? . . . 2_554
Ca(2) Ca(3) O(3) Ca(2) 23.3(2) ? . . 6_555 6_555
Ca(2) Ca(3) O(3) Ca(3) 28.8(2) ? . . 6_555 6_555
Ca(2) Ca(3) O(3) P(1) -126.3(2) ? . . 6_555 6_555
Ca(2) Ca(3) O(3) P(1) -91.03(12) ? . . 10_555 .
Cl(1) Ca(3) Cl(1) Ca(2) -0.9(5) ? . . 8_555 .
Cl(1) Ca(3) Cl(1) Ca(2) 53.28(5) ? . . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -53.24(5) ? . . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(3) 54.98(4) ? . . 8_555 3_555
Cl(1) Ca(3) Cl(1) Ca(3) -54.98(4) ? . . 8_555 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 0.9(5) ? 8_555 . . .
Cl(1) Ca(3) Cl(1) Ca(2) -142.41(2) ? 8_555 . . 2_555
Cl(1) Ca(3) Cl(1) Ca(2) -53.28(5) ? 8_555 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(2) -179.93(4) ? 8_555 . . 4_555
Cl(1) Ca(3) Cl(1) Ca(2) 53.24(5) ? 8_555 . . 5_555
Cl(1) Ca(3) Cl(1) Ca(2) 142.38(2) ? 8_555 . . 6_555
Cl(1) Ca(3) Cl(1) Ca(3) -54.98(4) ? 8_555 . . 3_555
Cl(1) Ca(3) Cl(1) Ca(3) 54.98(4) ? 8_555 . . 5_555
Cl(1) Ca(3) P(1) Ca(1) 122.56(4) ? . . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -170.79(4) ? . . . 7_665
Cl(1) Ca(3) P(1) Ca(2) -24.11(4) ? . . . .
Cl(1) Ca(3) P(1) O(1) -24.11(4) ? . . . .
Cl(1) Ca(3) P(1) O(2) 155.89(4) ? . . . .
Cl(1) Ca(3) P(1) O(3) -108.18(7) ? . . . .
Cl(1) Ca(3) P(1) Ca(3) 155.89(4) ? . . . 5_665
Cl(1) Ca(3) P(1) O(3) 59.95(5) ? . . . 10_555
P(1) Ca(3) Cl(1) Ca(2) 87.3(5) ? . . . .
P(1) Ca(3) Cl(1) Ca(2) -56.01(2) ? . . . 2_555
P(1) Ca(3) Cl(1) Ca(2) 33.11(5) ? . . . 3_555
P(1) Ca(3) Cl(1) Ca(2) -93.54(5) ? . . . 4_555
P(1) Ca(3) Cl(1) Ca(2) 139.64(5) ? . . . 5_555
P(1) Ca(3) Cl(1) Ca(2) -131.23(3) ? . . . 6_555
P(1) Ca(3) Cl(1) F(1) 86.394(18) ? . . . .
P(1) Ca(3) Cl(1) Ca(3) 31.41(4) ? . . . 3_555
P(1) Ca(3) Cl(1) Ca(3) 141.38(5) ? . . . 5_555
P(1) Ca(3) Cl(1) Cl(1) -93.606(18) ? . . . 7_556
P(1) Ca(3) Cl(1) Cl(1) 86.394(18) ? . . . 8_555
Cl(1) Ca(3) P(1) Ca(1) -43.90(6) ? . . 3_655 2_655
Cl(1) Ca(3) P(1) Ca(1) -111.56(6) ? . . 3_655 7_665
Cl(1) Ca(3) P(1) Ca(2) -77.73(6) ? . . 3_655 3_655
Cl(1) Ca(3) P(1) Ca(3) -77.73(6) ? . . 3_655 3_655
Cl(1) Ca(3) P(1) O(1) 102.27(6) ? . . 3_655 3_655
Cl(1) Ca(3) P(1) O(2) -77.73(6) ? . . 3_655 3_655
Cl(1) Ca(3) P(1) O(3) -150.56(5) ? . . 3_655 3_655
P(1) Ca(3) Cl(1) Ca(2) 167.4(6) ? 3_655 . . .
P(1) Ca(3) Cl(1) Ca(2) 24.16(7) ? 3_655 . . 2_555
P(1) Ca(3) Cl(1) Ca(2) 113.28(9) ? 3_655 . . 3_555
P(1) Ca(3) Cl(1) Ca(2) -13.37(9) ? 3_655 . . 4_555
P(1) Ca(3) Cl(1) Ca(2) -140.19(6) ? 3_655 . . 5_555
P(1) Ca(3) Cl(1) Ca(2) -51.06(5) ? 3_655 . . 6_555
P(1) Ca(3) Cl(1) F(1) 166.57(6) ? 3_655 . . .
P(1) Ca(3) Cl(1) Ca(3) 111.58(8) ? 3_655 . . 3_555
P(1) Ca(3) Cl(1) Ca(3) -138.45(6) ? 3_655 . . 5_555
P(1) Ca(3) Cl(1) Cl(1) -13.43(6) ? 3_655 . . 7_556
P(1) Ca(3) Cl(1) Cl(1) 166.57(6) ? 3_655 . . 8_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
Cl(1) Ca(3) F(1) Ca(3) 90.0 ? . . . 3_555
Cl(1) Ca(3) F(1) Ca(3) -90.0 ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(2) 0.9(5) ? . . . .
F(1) Ca(3) Cl(1) Ca(2) -142.41(2) ? . . . 2_555
F(1) Ca(3) Cl(1) Ca(2) -53.28(5) ? . . . 3_555
F(1) Ca(3) Cl(1) Ca(2) -179.93(4) ? . . . 4_555
F(1) Ca(3) Cl(1) Ca(2) 53.24(5) ? . . . 5_555
F(1) Ca(3) Cl(1) Ca(2) 142.38(2) ? . . . 6_555
F(1) Ca(3) Cl(1) Ca(3) -54.98(4) ? . . . 3_555
F(1) Ca(3) Cl(1) Ca(3) 54.98(4) ? . . . 5_555
Cl(1) Ca(3) O(1) P(1) 24.31(5) ? . . 5_555 5_555
Cl(1) Ca(3) O(1) Ca(2) 24.31(5) ? . . 5_555 .
O(1) Ca(3) Cl(1) Ca(2) -93.9(5) ? 5_555 . . .
O(1) Ca(3) Cl(1) Ca(2) 122.82(3) ? 5_555 . . 2_555
O(1) Ca(3) Cl(1) Ca(2) -148.06(5) ? 5_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(2) 85.29(5) ? 5_555 . . 4_555
O(1) Ca(3) Cl(1) Ca(2) -41.53(6) ? 5_555 . . 5_555
O(1) Ca(3) Cl(1) Ca(2) 47.60(4) ? 5_555 . . 6_555
O(1) Ca(3) Cl(1) F(1) -94.78(2) ? 5_555 . . .
O(1) Ca(3) Cl(1) Ca(3) -149.76(4) ? 5_555 . . 3_555
O(1) Ca(3) Cl(1) Ca(3) -39.79(6) ? 5_555 . . 5_555
O(1) Ca(3) Cl(1) Cl(1) 85.22(2) ? 5_555 . . 7_556
O(1) Ca(3) Cl(1) Cl(1) -94.78(2) ? 5_555 . . 8_555
Cl(1) Ca(3) O(2) Ca(1) 7.72(10) ? . . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -93.69(7) ? . . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) 137.02(8) ? . . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) -42.98(8) ? . . 3_655 .
O(2) Ca(3) Cl(1) Ca(2) 127.8(5) ? 3_655 . . .
O(2) Ca(3) Cl(1) Ca(2) -15.53(9) ? 3_655 . . 2_555
O(2) Ca(3) Cl(1) Ca(2) 73.60(12) ? 3_655 . . 3_555
O(2) Ca(3) Cl(1) Ca(2) -53.06(10) ? 3_655 . . 4_555
O(2) Ca(3) Cl(1) Ca(2) -179.88(7) ? 3_655 . . 5_555
O(2) Ca(3) Cl(1) Ca(2) -90.75(7) ? 3_655 . . 6_555
O(2) Ca(3) Cl(1) F(1) 126.88(8) ? 3_655 . . .
O(2) Ca(3) Cl(1) Ca(3) 71.89(11) ? 3_655 . . 3_555
O(2) Ca(3) Cl(1) Ca(3) -178.14(7) ? 3_655 . . 5_555
O(2) Ca(3) Cl(1) Cl(1) -53.12(8) ? 3_655 . . 7_556
O(2) Ca(3) Cl(1) Cl(1) 126.88(8) ? 3_655 . . 8_555
Cl(1) Ca(3) O(3) Ca(1) 161.96(4) ? . . . 7_665
Cl(1) Ca(3) O(3) Ca(2) -20.81(12) ? . . . .
Cl(1) Ca(3) O(3) P(1) 70.22(5) ? . . . .
Cl(1) Ca(3) O(3) Ca(2) -90.96(9) ? . . . 2_554
Cl(1) Ca(3) O(3) Ca(3) -93.83(8) ? . . . 2_554
O(3) Ca(3) Cl(1) Ca(2) 59.8(5) ? . . . .
O(3) Ca(3) Cl(1) Ca(2) -83.50(3) ? . . . 2_555
O(3) Ca(3) Cl(1) Ca(2) 5.63(6) ? . . . 3_555
O(3) Ca(3) Cl(1) Ca(2) -121.02(5) ? . . . 4_555
O(3) Ca(3) Cl(1) Ca(2) 112.15(5) ? . . . 5_555
O(3) Ca(3) Cl(1) Ca(2) -158.72(3) ? . . . 6_555
O(3) Ca(3) Cl(1) F(1) 58.91(2) ? . . . .
O(3) Ca(3) Cl(1) Ca(3) 3.92(5) ? . . . 3_555
O(3) Ca(3) Cl(1) Ca(3) 113.89(5) ? . . . 5_555
O(3) Ca(3) Cl(1) Cl(1) -121.09(2) ? . . . 7_556
O(3) Ca(3) Cl(1) Cl(1) 58.91(2) ? . . . 8_555
Cl(1) Ca(3) O(3) Ca(2) 30.73(5) ? . . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(3) 36.24(5) ? . . 6_555 6_555
Cl(1) Ca(3) O(3) P(1) -118.89(9) ? . . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) 7.4(2) ? . . 6_555 .
O(3) Ca(3) Cl(1) Ca(2) -161.7(5) ? 6_555 . . .
O(3) Ca(3) Cl(1) Ca(2) 54.99(3) ? 6_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(2) 144.11(5) ? 6_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(2) 17.46(5) ? 6_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(2) -109.36(5) ? 6_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) -20.23(2) ? 6_555 . . 6_555
O(3) Ca(3) Cl(1) F(1) -162.61(2) ? 6_555 . . .
O(3) Ca(3) Cl(1) Ca(3) 142.41(5) ? 6_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(3) -107.62(4) ? 6_555 . . 5_555
O(3) Ca(3) Cl(1) Cl(1) 17.39(2) ? 6_555 . . 7_556
O(3) Ca(3) Cl(1) Cl(1) -162.61(2) ? 6_555 . . 8_555
Cl(1) Ca(3) O(3) Ca(2) 7.8(2) ? . . 9_555 .
O(3) Ca(3) Cl(1) Ca(2) -19.3(5) ? 9_555 . . .
O(3) Ca(3) Cl(1) Ca(2) -162.63(3) ? 9_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(2) -73.51(5) ? 9_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(2) 159.84(4) ? 9_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(2) 33.02(7) ? 9_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) 122.15(4) ? 9_555 . . 6_555
O(3) Ca(3) Cl(1) F(1) -20.22(2) ? 9_555 . . .
O(3) Ca(3) Cl(1) Ca(3) -75.21(5) ? 9_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(3) 34.76(6) ? 9_555 . . 5_555
O(3) Ca(3) Cl(1) Cl(1) 159.78(2) ? 9_555 . . 7_556
O(3) Ca(3) Cl(1) Cl(1) -20.22(2) ? 9_555 . . 8_555
Cl(1) Ca(3) O(3) Ca(2) -22.05(12) ? . . 10_555 .
Cl(1) Ca(3) O(3) P(1) -113.08(5) ? . . 10_555 .
O(3) Ca(3) Cl(1) Ca(2) 114.1(5) ? 10_555 . . .
O(3) Ca(3) Cl(1) Ca(2) -29.19(3) ? 10_555 . . 2_555
O(3) Ca(3) Cl(1) Ca(2) 59.93(4) ? 10_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(2) -66.72(5) ? 10_555 . . 4_555
O(3) Ca(3) Cl(1) Ca(2) 166.46(6) ? 10_555 . . 5_555
O(3) Ca(3) Cl(1) Ca(2) -104.41(4) ? 10_555 . . 6_555
O(3) Ca(3) Cl(1) F(1) 113.22(2) ? 10_555 . . .
O(3) Ca(3) Cl(1) Ca(3) 58.23(4) ? 10_555 . . 3_555
O(3) Ca(3) Cl(1) Ca(3) 168.20(6) ? 10_555 . . 5_555
O(3) Ca(3) Cl(1) Cl(1) -66.78(2) ? 10_555 . . 7_556
O(3) Ca(3) Cl(1) Cl(1) 113.22(2) ? 10_555 . . 8_555
Cl(1) Ca(3) P(1) Ca(1) 170.79(4) ? 8_555 . . 2_655
Cl(1) Ca(3) P(1) Ca(1) -122.56(4) ? 8_555 . . 7_665
Cl(1) Ca(3) P(1) Ca(2) 24.11(4) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(1) 24.11(4) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(2) -155.89(4) ? 8_555 . . .
Cl(1) Ca(3) P(1) O(3) -59.95(5) ? 8_555 . . .
Cl(1) Ca(3) P(1) Ca(3) -155.89(4) ? 8_555 . . 5_665
Cl(1) Ca(3) P(1) O(3) 108.18(7) ? 8_555 . . 10_555
P(1) Ca(3) Cl(1) Ca(2) -87.3(5) ? . . 8_555 .
P(1) Ca(3) Cl(1) Ca(2) -33.11(5) ? . . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(2) -139.64(6) ? . . 8_555 5_555
P(1) Ca(3) Cl(1) Ca(3) -31.41(4) ? . . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(3) -141.38(5) ? . . 8_555 5_555
P(1) Ca(3) Cl(1) Cl(1) -86.394(18) ? . . 8_555 .
P(1) Ca(3) Cl(1) F(1) -86.394(18) ? . . 8_555 .
Cl(1) Ca(3) P(1) Ca(1) 111.56(6) ? 8_555 . 3_655 2_655
Cl(1) Ca(3) P(1) Ca(1) 43.90(6) ? 8_555 . 3_655 7_665
Cl(1) Ca(3) P(1) Ca(2) 77.73(6) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) P(1) Ca(3) 77.73(6) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) P(1) O(1) -102.27(6) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) P(1) O(2) 77.73(6) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) P(1) O(3) 4.91(7) ? 8_555 . 3_655 3_655
P(1) Ca(3) Cl(1) Ca(2) -167.4(6) ? 3_655 . 8_555 .
P(1) Ca(3) Cl(1) Ca(2) -113.28(9) ? 3_655 . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(2) 140.19(6) ? 3_655 . 8_555 5_555
P(1) Ca(3) Cl(1) Ca(3) -111.58(8) ? 3_655 . 8_555 3_555
P(1) Ca(3) Cl(1) Ca(3) 138.45(6) ? 3_655 . 8_555 5_555
P(1) Ca(3) Cl(1) Cl(1) -166.57(6) ? 3_655 . 8_555 .
P(1) Ca(3) Cl(1) F(1) -166.57(6) ? 3_655 . 8_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
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
F(1) Ca(3) Cl(1) Ca(2) -0.9(5) ? . . 8_555 .
F(1) Ca(3) Cl(1) Ca(2) 53.28(5) ? . . 8_555 3_555
F(1) Ca(3) Cl(1) Ca(2) -53.24(5) ? . . 8_555 5_555
F(1) Ca(3) Cl(1) Ca(3) 54.98(4) ? . . 8_555 3_555
F(1) Ca(3) Cl(1) Ca(3) -54.98(4) ? . . 8_555 5_555
Cl(1) Ca(3) O(1) P(1) -24.31(5) ? 8_555 . 5_555 5_555
Cl(1) Ca(3) O(1) Ca(2) -24.31(5) ? 8_555 . 5_555 .
O(1) Ca(3) Cl(1) Ca(2) 93.9(5) ? 5_555 . 8_555 .
O(1) Ca(3) Cl(1) Ca(2) 148.06(5) ? 5_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(2) 41.53(6) ? 5_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Ca(3) 149.76(4) ? 5_555 . 8_555 3_555
O(1) Ca(3) Cl(1) Ca(3) 39.79(6) ? 5_555 . 8_555 5_555
O(1) Ca(3) Cl(1) Cl(1) 94.78(2) ? 5_555 . 8_555 .
O(1) Ca(3) Cl(1) F(1) 94.78(2) ? 5_555 . 8_555 .
Cl(1) Ca(3) O(2) Ca(1) 93.69(7) ? 8_555 . 3_655 2_655
Cl(1) Ca(3) O(2) Ca(1) -7.72(10) ? 8_555 . 3_655 7_665
Cl(1) Ca(3) O(2) P(1) -137.02(8) ? 8_555 . 3_655 3_655
Cl(1) Ca(3) O(2) Ca(2) 42.98(8) ? 8_555 . 3_655 .
O(2) Ca(3) Cl(1) Ca(2) -127.8(5) ? 3_655 . 8_555 .
O(2) Ca(3) Cl(1) Ca(2) -73.60(12) ? 3_655 . 8_555 3_555
O(2) Ca(3) Cl(1) Ca(2) 179.88(7) ? 3_655 . 8_555 5_555
O(2) Ca(3) Cl(1) Ca(3) -71.89(11) ? 3_655 . 8_555 3_555
O(2) Ca(3) Cl(1) Ca(3) 178.14(7) ? 3_655 . 8_555 5_555
O(2) Ca(3) Cl(1) Cl(1) -126.88(8) ? 3_655 . 8_555 .
O(2) Ca(3) Cl(1) F(1) -126.88(8) ? 3_655 . 8_555 .
Cl(1) Ca(3) O(3) Ca(1) -155.18(4) ? 8_555 . . 7_665
Cl(1) Ca(3) O(3) Ca(2) 22.05(12) ? 8_555 . . .
Cl(1) Ca(3) O(3) P(1) 113.08(5) ? 8_555 . . .
Cl(1) Ca(3) O(3) Ca(2) -48.10(10) ? 8_555 . . 2_554
Cl(1) Ca(3) O(3) Ca(3) -50.97(9) ? 8_555 . . 2_554
O(3) Ca(3) Cl(1) Ca(2) -114.1(5) ? . . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) -59.93(4) ? . . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) -166.46(6) ? . . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(3) -58.23(4) ? . . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) -168.20(6) ? . . 8_555 5_555
O(3) Ca(3) Cl(1) Cl(1) -113.22(2) ? . . 8_555 .
O(3) Ca(3) Cl(1) F(1) -113.22(2) ? . . 8_555 .
Cl(1) Ca(3) O(3) Ca(2) 15.52(6) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(3) 21.03(6) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(3) P(1) -134.10(7) ? 8_555 . 6_555 6_555
Cl(1) Ca(3) O(3) Ca(2) -7.8(2) ? 8_555 . 6_555 .
O(3) Ca(3) Cl(1) Ca(2) 19.3(5) ? 6_555 . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) 73.51(5) ? 6_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) -33.02(7) ? 6_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(3) 75.21(5) ? 6_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) -34.76(6) ? 6_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Cl(1) 20.22(2) ? 6_555 . 8_555 .
O(3) Ca(3) Cl(1) F(1) 20.22(2) ? 6_555 . 8_555 .
Cl(1) Ca(3) O(3) Ca(2) -7.4(2) ? 8_555 . 9_555 .
O(3) Ca(3) Cl(1) Ca(2) 161.7(5) ? 9_555 . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) -144.11(5) ? 9_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) 109.36(5) ? 9_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(3) -142.41(5) ? 9_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) 107.62(4) ? 9_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Cl(1) 162.61(2) ? 9_555 . 8_555 .
O(3) Ca(3) Cl(1) F(1) 162.61(2) ? 9_555 . 8_555 .
Cl(1) Ca(3) O(3) Ca(2) 20.81(12) ? 8_555 . 10_555 .
Cl(1) Ca(3) O(3) P(1) -70.22(5) ? 8_555 . 10_555 .
O(3) Ca(3) Cl(1) Ca(2) -59.8(5) ? 10_555 . 8_555 .
O(3) Ca(3) Cl(1) Ca(2) -5.63(6) ? 10_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(2) -112.15(5) ? 10_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Ca(3) -3.92(5) ? 10_555 . 8_555 3_555
O(3) Ca(3) Cl(1) Ca(3) -113.89(5) ? 10_555 . 8_555 5_555
O(3) Ca(3) Cl(1) Cl(1) -58.91(2) ? 10_555 . 8_555 .
O(3) Ca(3) Cl(1) F(1) -58.91(2) ? 10_555 . 8_555 .
P(1) Ca(3) P(1) Ca(1) 33.831(5) ? . . 3_655 2_655
P(1) Ca(3) P(1) Ca(1) -33.831(5) ? . . 3_655 7_665
P(1) Ca(3) P(1) O(3) -72.83(2) ? . . 3_655 3_655
P(1) Ca(3) P(1) Ca(1) -33.327(8) ? 3_655 . . 2_655
P(1) Ca(3) P(1) Ca(1) 33.327(8) ? 3_655 . . 7_665
P(1) Ca(3) P(1) O(3) 95.94(4) ? 3_655 . . .
P(1) Ca(3) P(1) O(3) -95.94(4) ? 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) 146.673(8) ? . . . 2_655
F(1) Ca(3) P(1) Ca(1) -146.673(8) ? . . . 7_665
F(1) Ca(3) P(1) O(3) -84.06(4) ? . . . .
F(1) Ca(3) P(1) O(3) 84.06(4) ? . . . 10_555
O(1) Ca(3) P(1) Ca(1) -33.327(8) ? 5_555 . . 2_655
O(1) Ca(3) P(1) Ca(1) 33.327(8) ? 5_555 . . 7_665
O(1) Ca(3) P(1) O(3) 95.94(4) ? 5_555 . . .
O(1) Ca(3) P(1) O(3) -95.94(4) ? 5_555 . . 10_555
P(1) Ca(3) O(2) Ca(1) 50.70(2) ? . . 3_655 2_655
P(1) Ca(3) O(2) Ca(1) -50.71(2) ? . . 3_655 7_665
O(2) Ca(3) P(1) Ca(1) -33.327(8) ? 3_655 . . 2_655
O(2) Ca(3) P(1) Ca(1) 33.327(8) ? 3_655 . . 7_665
O(2) Ca(3) P(1) O(3) 95.94(4) ? 3_655 . . .
O(2) Ca(3) P(1) O(3) -95.94(4) ? 3_655 . . 10_555
P(1) Ca(3) O(3) Ca(1) 91.75(3) ? . . . 7_665
P(1) Ca(3) O(3) Ca(2) -91.03(12) ? . . . .
P(1) Ca(3) O(3) Ca(2) -161.18(10) ? . . . 2_554
P(1) Ca(3) O(3) Ca(3) -164.05(10) ? . . . 2_554
O(3) Ca(3) P(1) Ca(1) -129.27(5) ? . . . 2_655
O(3) Ca(3) P(1) Ca(1) -62.61(4) ? . . . 7_665
O(3) Ca(3) P(1) Ca(2) 84.06(4) ? . . . .
O(3) Ca(3) P(1) O(1) 84.06(4) ? . . . .
O(3) Ca(3) P(1) O(2) -95.94(4) ? . . . .
O(3) Ca(3) P(1) Ca(3) -95.94(4) ? . . . 5_665
O(3) Ca(3) P(1) O(3) 168.12(8) ? . . . 10_555
P(1) Ca(3) O(3) Ca(2) 107.56(7) ? . . 6_555 6_555
P(1) Ca(3) O(3) Ca(3) 113.07(6) ? . . 6_555 6_555
P(1) Ca(3) O(3) P(1) -42.07(15) ? . . 6_555 6_555
P(1) Ca(3) O(3) Ca(2) 84.2(2) ? . . 6_555 .
O(3) Ca(3) P(1) Ca(1) 49.09(8) ? 6_555 . . 2_655
O(3) Ca(3) P(1) Ca(1) 115.74(9) ? 6_555 . . 7_665
O(3) Ca(3) P(1) Ca(2) -97.59(8) ? 6_555 . . .
O(3) Ca(3) P(1) O(1) -97.59(8) ? 6_555 . . .
O(3) Ca(3) P(1) O(2) 82.41(8) ? 6_555 . . .
O(3) Ca(3) P(1) O(3) 178.35(12) ? 6_555 . . .
O(3) Ca(3) P(1) Ca(3) 82.41(8) ? 6_555 . . 5_665
O(3) Ca(3) P(1) O(3) -13.53(6) ? 6_555 . . 10_555
P(1) Ca(3) O(3) Ca(2) -84.2(2) ? . . 9_555 .
O(3) Ca(3) P(1) Ca(1) -115.74(9) ? 9_555 . . 2_655
O(3) Ca(3) P(1) Ca(1) -49.09(8) ? 9_555 . . 7_665
O(3) Ca(3) P(1) Ca(2) 97.59(8) ? 9_555 . . .
O(3) Ca(3) P(1) O(1) 97.59(8) ? 9_555 . . .
O(3) Ca(3) P(1) O(2) -82.41(8) ? 9_555 . . .
O(3) Ca(3) P(1) O(3) 13.53(6) ? 9_555 . . .
O(3) Ca(3) P(1) Ca(3) -82.41(8) ? 9_555 . . 5_665
O(3) Ca(3) P(1) O(3) -178.35(12) ? 9_555 . . 10_555
P(1) Ca(3) O(3) Ca(2) 91.03(12) ? . . 10_555 .
O(3) Ca(3) P(1) Ca(1) 62.61(4) ? 10_555 . . 2_655
O(3) Ca(3) P(1) Ca(1) 129.27(5) ? 10_555 . . 7_665
O(3) Ca(3) P(1) Ca(2) -84.06(4) ? 10_555 . . .
O(3) Ca(3) P(1) O(1) -84.06(4) ? 10_555 . . .
O(3) Ca(3) P(1) O(2) 95.94(4) ? 10_555 . . .
O(3) Ca(3) P(1) O(3) -168.12(8) ? 10_555 . . .
O(3) Ca(3) P(1) Ca(3) 95.94(4) ? 10_555 . . 5_665
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) 33.831(5) ? . . 3_655 2_655
F(1) Ca(3) P(1) Ca(1) -33.831(5) ? . . 3_655 7_665
F(1) Ca(3) P(1) O(3) -72.83(2) ? . . 3_655 3_655
O(1) Ca(3) P(1) Ca(1) -146.169(5) ? 5_555 . 3_655 2_655
O(1) Ca(3) P(1) Ca(1) 146.169(5) ? 5_555 . 3_655 7_665
O(1) Ca(3) P(1) O(3) 107.17(2) ? 5_555 . 3_655 3_655
P(1) Ca(3) O(2) Ca(1) -129.30(2) ? 3_655 . 3_655 2_655
P(1) Ca(3) O(2) Ca(1) 129.29(2) ? 3_655 . 3_655 7_665
O(2) Ca(3) P(1) Ca(1) 33.831(5) ? 3_655 . 3_655 2_655
O(2) Ca(3) P(1) Ca(1) -33.831(5) ? 3_655 . 3_655 7_665
O(2) Ca(3) P(1) O(3) -72.83(2) ? 3_655 . 3_655 3_655
P(1) Ca(3) O(3) Ca(1) 5.321(19) ? 3_655 . . 7_665
P(1) Ca(3) O(3) Ca(2) -177.46(12) ? 3_655 . . .
P(1) Ca(3) O(3) P(1) -86.42(3) ? 3_655 . . .
P(1) Ca(3) O(3) Ca(2) 112.40(9) ? 3_655 . . 2_554
P(1) Ca(3) O(3) Ca(3) 109.53(8) ? 3_655 . . 2_554
O(3) Ca(3) P(1) Ca(1) 62.874(18) ? . . 3_655 2_655
O(3) Ca(3) P(1) Ca(1) -4.789(17) ? . . 3_655 7_665
O(3) Ca(3) P(1) Ca(2) 29.042(17) ? . . 3_655 3_655
O(3) Ca(3) P(1) Ca(3) 29.042(17) ? . . 3_655 3_655
O(3) Ca(3) P(1) O(1) -150.958(17) ? . . 3_655 3_655
O(3) Ca(3) P(1) O(2) 29.042(17) ? . . 3_655 3_655
O(3) Ca(3) P(1) O(3) -43.78(3) ? . . 3_655 3_655
P(1) Ca(3) O(3) Ca(2) -161.64(4) ? 3_655 . 6_555 6_555
P(1) Ca(3) O(3) Ca(3) -156.13(4) ? 3_655 . 6_555 6_555
P(1) Ca(3) O(3) P(1) 48.73(9) ? 3_655 . 6_555 6_555
P(1) Ca(3) O(3) Ca(2) 175.0(2) ? 3_655 . 6_555 .
O(3) Ca(3) P(1) Ca(1) -74.215(17) ? 6_555 . 3_655 2_655
O(3) Ca(3) P(1) Ca(1) -141.88(2) ? 6_555 . 3_655 7_665
O(3) Ca(3) P(1) Ca(2) -108.046(18) ? 6_555 . 3_655 3_655
O(3) Ca(3) P(1) Ca(3) -108.046(18) ? 6_555 . 3_655 3_655
O(3) Ca(3) P(1) O(1) 71.954(18) ? 6_555 . 3_655 3_655
O(3) Ca(3) P(1) O(2) -108.046(18) ? 6_555 . 3_655 3_655
O(3) Ca(3) P(1) O(3) 179.13(2) ? 6_555 . 3_655 3_655
P(1) Ca(3) O(3) Ca(2) -175.0(2) ? 3_655 . 9_555 .
O(3) Ca(3) P(1) Ca(1) 141.88(2) ? 9_555 . 3_655 2_655
O(3) Ca(3) P(1) Ca(1) 74.215(17) ? 9_555 . 3_655 7_665
O(3) Ca(3) P(1) Ca(2) 108.046(18) ? 9_555 . 3_655 3_655
O(3) Ca(3) P(1) Ca(3) 108.046(18) ? 9_555 . 3_655 3_655
O(3) Ca(3) P(1) O(1) -71.954(18) ? 9_555 . 3_655 3_655
O(3) Ca(3) P(1) O(2) 108.046(18) ? 9_555 . 3_655 3_655
O(3) Ca(3) P(1) O(3) 35.22(3) ? 9_555 . 3_655 3_655
P(1) Ca(3) O(3) Ca(2) 177.46(12) ? 3_655 . 10_555 .
P(1) Ca(3) O(3) P(1) 86.42(3) ? 3_655 . 10_555 .
O(3) Ca(3) P(1) Ca(1) 4.789(17) ? 10_555 . 3_655 2_655
O(3) Ca(3) P(1) Ca(1) -62.874(18) ? 10_555 . 3_655 7_665
O(3) Ca(3) P(1) Ca(2) -29.042(17) ? 10_555 . 3_655 3_655
O(3) Ca(3) P(1) Ca(3) -29.042(17) ? 10_555 . 3_655 3_655
O(3) Ca(3) P(1) O(1) 150.958(17) ? 10_555 . 3_655 3_655
O(3) Ca(3) P(1) O(2) -29.042(17) ? 10_555 . 3_655 3_655
O(3) Ca(3) P(1) O(3) -101.87(2) ? 10_555 . 3_655 3_655
O(1) Ca(3) F(1) Cl(1) 90.0 ? 5_555 . . .
O(1) Ca(3) F(1) Cl(1) -90.0 ? 5_555 . . 8_555
F(1) Ca(3) O(2) Ca(1) 50.70(2) ? . . 3_655 2_655
F(1) Ca(3) O(2) Ca(1) -50.71(2) ? . . 3_655 7_665
O(2) Ca(3) F(1) Cl(1) -90.0 ? 3_655 . . .
O(2) Ca(3) F(1) Cl(1) 90.0 ? 3_655 . . 8_555
F(1) Ca(3) O(3) Ca(1) -177.401(19) ? . . . 7_665
F(1) Ca(3) O(3) Ca(2) -0.18(11) ? . . . .
F(1) Ca(3) O(3) P(1) 90.85(3) ? . . . .
F(1) Ca(3) O(3) Ca(2) -70.32(9) ? . . . 2_554
F(1) Ca(3) O(3) Ca(3) -73.19(8) ? . . . 2_554
O(3) Ca(3) F(1) Ca(2) 150.568(16) ? . . . .
O(3) Ca(3) F(1) Ca(2) -29.432(16) ? . . . 3_555
O(3) Ca(3) F(1) Ca(2) 150.568(16) ? . . . 5_555
O(3) Ca(3) F(1) Cl(1) -119.432(16) ? . . . .
O(3) Ca(3) F(1) Ca(3) -29.432(16) ? . . . 3_555
O(3) Ca(3) F(1) Ca(3) 150.568(16) ? . . . 5_555
O(3) Ca(3) F(1) Cl(1) 60.568(16) ? . . . 8_555
F(1) Ca(3) O(3) Ca(2) 23.68(5) ? . . 6_555 6_555
F(1) Ca(3) O(3) Ca(3) 29.19(5) ? . . 6_555 6_555
F(1) Ca(3) O(3) P(1) -125.94(8) ? . . 6_555 6_555
F(1) Ca(3) O(3) Ca(2) 0.3(2) ? . . 6_555 .
O(3) Ca(3) F(1) Ca(2) -72.795(19) ? 6_555 . . .
O(3) Ca(3) F(1) Ca(2) 107.205(19) ? 6_555 . . 3_555
O(3) Ca(3) F(1) Ca(2) -72.795(19) ? 6_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) 17.205(19) ? 6_555 . . .
O(3) Ca(3) F(1) Ca(3) 107.205(19) ? 6_555 . . 3_555
O(3) Ca(3) F(1) Ca(3) -72.795(19) ? 6_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) -162.795(19) ? 6_555 . . 8_555
F(1) Ca(3) O(3) Ca(2) -0.3(2) ? . . 9_555 .
O(3) Ca(3) F(1) Ca(2) 72.795(19) ? 9_555 . . .
O(3) Ca(3) F(1) Ca(2) -107.205(19) ? 9_555 . . 3_555
O(3) Ca(3) F(1) Ca(2) 72.795(19) ? 9_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) 162.795(19) ? 9_555 . . .
O(3) Ca(3) F(1) Ca(3) -107.205(19) ? 9_555 . . 3_555
O(3) Ca(3) F(1) Ca(3) 72.795(19) ? 9_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) -17.205(19) ? 9_555 . . 8_555
F(1) Ca(3) O(3) Ca(2) 0.18(11) ? . . 10_555 .
F(1) Ca(3) O(3) P(1) -90.85(3) ? . . 10_555 .
O(3) Ca(3) F(1) Ca(2) -150.568(16) ? 10_555 . . .
O(3) Ca(3) F(1) Ca(2) 29.432(16) ? 10_555 . . 3_555
O(3) Ca(3) F(1) Ca(2) -150.568(16) ? 10_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) -60.568(16) ? 10_555 . . .
O(3) Ca(3) F(1) Ca(3) 29.432(16) ? 10_555 . . 3_555
O(3) Ca(3) F(1) Ca(3) -150.568(16) ? 10_555 . . 5_555
O(3) Ca(3) F(1) Cl(1) 119.432(16) ? 10_555 . . 8_555
O(1) Ca(3) O(2) Ca(1) -129.30(2) ? 5_555 . 3_655 2_655
O(1) Ca(3) O(2) Ca(1) 129.29(2) ? 5_555 . 3_655 7_665
O(1) Ca(3) O(3) Ca(1) -82.4(2) ? 5_555 . . 7_665
O(1) Ca(3) O(3) Ca(2) 94.8(2) ? 5_555 . . .
O(1) Ca(3) O(3) P(1) -174.2(2) ? 5_555 . . .
O(1) Ca(3) O(3) Ca(2) 24.6(2) ? 5_555 . . 2_554
O(1) Ca(3) O(3) Ca(3) 21.8(2) ? 5_555 . . 2_554
O(3) Ca(3) O(1) P(1) -89.1(2) ? . . 5_555 5_555
O(3) Ca(3) O(1) Ca(2) -89.1(2) ? . . 5_555 .
O(1) Ca(3) O(3) Ca(2) -75.39(6) ? 5_555 . 6_555 6_555
O(1) Ca(3) O(3) Ca(3) -69.88(7) ? 5_555 . 6_555 6_555
O(1) Ca(3) O(3) P(1) 134.99(7) ? 5_555 . 6_555 6_555
O(1) Ca(3) O(3) Ca(2) -98.7(2) ? 5_555 . 6_555 .
O(3) Ca(3) O(1) P(1) 96.65(5) ? 6_555 . 5_555 5_555
O(3) Ca(3) O(1) Ca(2) 96.65(5) ? 6_555 . 5_555 .
O(1) Ca(3) O(3) Ca(2) 98.7(2) ? 5_555 . 9_555 .
O(3) Ca(3) O(1) P(1) -96.65(5) ? 9_555 . 5_555 5_555
O(3) Ca(3) O(1) Ca(2) -96.65(5) ? 9_555 . 5_555 .
O(1) Ca(3) O(3) Ca(2) -94.8(2) ? 5_555 . 10_555 .
O(1) Ca(3) O(3) P(1) 174.2(2) ? 5_555 . 10_555 .
O(3) Ca(3) O(1) P(1) 89.1(2) ? 10_555 . 5_555 5_555
O(3) Ca(3) O(1) Ca(2) 89.1(2) ? 10_555 . 5_555 .
O(2) Ca(3) O(3) Ca(1) 16.51(2) ? 3_655 . . 7_665
O(2) Ca(3) O(3) Ca(2) -166.26(12) ? 3_655 . . .
O(2) Ca(3) O(3) P(1) -75.23(3) ? 3_655 . . .
O(2) Ca(3) O(3) Ca(2) 123.59(9) ? 3_655 . . 2_554
O(2) Ca(3) O(3) Ca(3) 120.72(8) ? 3_655 . . 2_554
O(3) Ca(3) O(2) Ca(1) 80.57(2) ? . . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) -20.84(3) ? . . 3_655 7_665
O(3) Ca(3) O(2) P(1) -150.13(2) ? . . 3_655 3_655
O(3) Ca(3) O(2) Ca(2) 29.87(2) ? . . 3_655 .
O(2) Ca(3) O(3) Ca(2) 176.72(5) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(3) Ca(3) -177.77(4) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(3) P(1) 27.10(11) ? 3_655 . 6_555 6_555
O(2) Ca(3) O(3) Ca(2) 153.4(2) ? 3_655 . 6_555 .
O(3) Ca(3) O(2) Ca(1) -59.07(5) ? 6_555 . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) -160.48(3) ? 6_555 . 3_655 7_665
O(3) Ca(3) O(2) P(1) 70.23(3) ? 6_555 . 3_655 3_655
O(3) Ca(3) O(2) Ca(2) -109.77(3) ? 6_555 . 3_655 .
O(2) Ca(3) O(3) Ca(2) -153.4(2) ? 3_655 . 9_555 .
O(3) Ca(3) O(2) Ca(1) 160.47(3) ? 9_555 . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) 59.06(5) ? 9_555 . 3_655 7_665
O(3) Ca(3) O(2) P(1) -70.23(3) ? 9_555 . 3_655 3_655
O(3) Ca(3) O(2) Ca(2) 109.77(3) ? 9_555 . 3_655 .
O(2) Ca(3) O(3) Ca(2) 166.26(12) ? 3_655 . 10_555 .
O(2) Ca(3) O(3) P(1) 75.23(3) ? 3_655 . 10_555 .
O(3) Ca(3) O(2) Ca(1) 20.83(3) ? 10_555 . 3_655 2_655
O(3) Ca(3) O(2) Ca(1) -80.58(2) ? 10_555 . 3_655 7_665
O(3) Ca(3) O(2) P(1) 150.13(2) ? 10_555 . 3_655 3_655
O(3) Ca(3) O(2) Ca(2) -29.87(2) ? 10_555 . 3_655 .
O(3) Ca(3) O(3) Ca(2) 108.74(15) ? . . 6_555 6_555
O(3) Ca(3) O(3) Ca(3) 114.25(14) ? . . 6_555 6_555
O(3) Ca(3) O(3) P(1) -40.9(2) ? . . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) 85.4(2) ? . . 6_555 .
O(3) Ca(3) O(3) Ca(1) 89.44(16) ? 6_555 . . 7_665
O(3) Ca(3) O(3) Ca(2) -93.3(2) ? 6_555 . . .
O(3) Ca(3) O(3) P(1) -2.31(17) ? 6_555 . . .
O(3) Ca(3) O(3) Ca(2) -163.48(16) ? 6_555 . . 2_554
O(3) Ca(3) O(3) Ca(3) -166.36(14) ? 6_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) -77.6(2) ? . . 9_555 .
O(3) Ca(3) O(3) Ca(1) -75.22(5) ? 9_555 . . 7_665
O(3) Ca(3) O(3) Ca(2) 102.00(13) ? 9_555 . . .
O(3) Ca(3) O(3) P(1) -166.97(5) ? 9_555 . . .
O(3) Ca(3) O(3) Ca(2) 31.85(12) ? 9_555 . . 2_554
O(3) Ca(3) O(3) Ca(3) 28.98(11) ? 9_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) 84.24(12) ? . . 10_555 .
O(3) Ca(3) O(3) P(1) -6.79(4) ? . . 10_555 .
O(3) Ca(3) O(3) Ca(1) 98.53(4) ? 10_555 . . 7_665
O(3) Ca(3) O(3) Ca(2) -84.24(12) ? 10_555 . . .
O(3) Ca(3) O(3) P(1) 6.79(4) ? 10_555 . . .
O(3) Ca(3) O(3) Ca(2) -154.39(9) ? 10_555 . . 2_554
O(3) Ca(3) O(3) Ca(3) -157.26(8) ? 10_555 . . 2_554
O(3) Ca(3) O(3) Ca(2) 118.7(2) ? 6_555 . 9_555 .
O(3) Ca(3) O(3) Ca(2) -95.41(18) ? 9_555 . 6_555 6_555
O(3) Ca(3) O(3) Ca(3) -89.90(18) ? 9_555 . 6_555 6_555
O(3) Ca(3) O(3) P(1) 114.97(11) ? 9_555 . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) -118.7(2) ? 9_555 . 6_555 .
O(3) Ca(3) O(3) Ca(2) -102.00(13) ? 6_555 . 10_555 .
O(3) Ca(3) O(3) P(1) 166.97(5) ? 6_555 . 10_555 .
O(3) Ca(3) O(3) Ca(2) 100.93(5) ? 10_555 . 6_555 6_555
O(3) Ca(3) O(3) Ca(3) 106.44(5) ? 10_555 . 6_555 6_555
O(3) Ca(3) O(3) P(1) -48.69(12) ? 10_555 . 6_555 6_555
O(3) Ca(3) O(3) Ca(2) 77.6(2) ? 10_555 . 6_555 .
O(3) Ca(3) O(3) Ca(2) 93.3(2) ? 9_555 . 10_555 .
O(3) Ca(3) O(3) P(1) 2.31(17) ? 9_555 . 10_555 .
O(3) Ca(3) O(3) Ca(2) -85.4(2) ? 10_555 . 9_555 .
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(7) ? . . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(7) ? . . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(7) ? . . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(7) ? . . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(3) 60.03(5) ? . . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -179.97(2) ? . . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -59.97(5) ? . . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(7) ? . . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(7) ? . . 8_555 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -0.03(2) ? . . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) -120.03(5) ? . . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 119.97(5) ? . . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.00(7) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(2) 120.00(7) ? . . . 5_555
Ca(2) Cl(1) F(1) Ca(3) -0.03(2) ? . . . .
Ca(2) Cl(1) F(1) Ca(3) -120.03(5) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 119.97(5) ? . . . 5_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(7) ? 2_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(10) ? 2_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(7) ? 2_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(10) ? 2_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(3) 0.03(7) ? 2_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 120.03(7) ? 2_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -119.97(9) ? 2_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(7) ? 2_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(10) ? 2_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 59.97(7) ? 2_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) -60.03(9) ? 2_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 179.97(9) ? 2_555 . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) 60.00(7) ? 2_555 . . .
Ca(2) Cl(1) F(1) Ca(2) -60.00(10) ? 2_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 59.97(7) ? 2_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -60.03(9) ? 2_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 179.97(9) ? 2_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(7) ? 3_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(10) ? 3_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(7) ? 3_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(10) ? 3_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -59.97(9) ? 3_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 60.03(7) ? 3_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) -179.97(9) ? 3_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(7) ? 3_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(10) ? 3_555 . 8_555 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 119.97(7) ? 3_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) -0.03(7) ? 3_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -120.03(9) ? 3_555 . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) 120.00(7) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(2) -120.00(10) ? 3_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(3) 119.97(7) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -0.03(7) ? 3_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -120.03(9) ? 3_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(7) ? 4_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(7) ? 4_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(7) ? 4_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(7) ? 4_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(3) -119.97(5) ? 4_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) 0.03(2) ? 4_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 120.03(5) ? 4_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(7) ? 4_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(7) ? 4_555 . 8_555 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 179.97(2) ? 4_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) 59.97(5) ? 4_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -60.03(5) ? 4_555 . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) 60.00(7) ? 4_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(2) -60.00(7) ? 4_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(3) 179.97(2) ? 4_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 59.97(5) ? 4_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -60.03(5) ? 4_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(7) ? 5_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(10) ? 5_555 . 7_556 3_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(7) ? 5_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(10) ? 5_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(3) -179.97(2) ? 5_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -59.97(7) ? 5_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 60.03(9) ? 5_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(7) ? 5_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(10) ? 5_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -120.03(7) ? 5_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) 119.97(9) ? 5_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -0.03(5) ? 5_555 . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.00(7) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(2) 120.00(10) ? 5_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -120.03(7) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 119.97(9) ? 5_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -0.03(5) ? 5_555 . . 5_555
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(7) ? 6_555 . 7_556 .
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(10) ? 6_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(7) ? 6_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(10) ? 6_555 . 7_556 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 120.03(9) ? 6_555 . 7_556 2_555
Ca(2) Cl(1) Cl(1) Ca(3) -119.97(7) ? 6_555 . 7_556 4_555
Ca(2) Cl(1) Cl(1) Ca(3) 0.03(5) ? 6_555 . 7_556 6_555
Ca(2) Cl(1) Cl(1) Ca(2) -60.00(7) ? 6_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(2) 60.00(10) ? 6_555 . 8_555 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -60.03(7) ? 6_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) 179.965(17) ? 6_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 59.97(9) ? 6_555 . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) -60.00(7) ? 6_555 . . .
Ca(2) Cl(1) F(1) Ca(2) 60.00(10) ? 6_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(3) -60.03(7) ? 6_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 179.965(17) ? 6_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 59.97(9) ? 6_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -0.03(2) ? . . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 59.97(7) ? . . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) 119.97(7) ? . . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 179.97(2) ? . . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -120.03(7) ? . . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -60.03(7) ? . . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(5) ? . . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(5) ? . . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) 0.03(2) ? . . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(2) -119.97(7) ? . . 8_555 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 120.03(7) ? . . 8_555 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(5) ? . . 8_555 3_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(5) ? . . 8_555 5_555
Ca(3) Cl(1) F(1) Ca(2) 0.03(2) ? . . . .
Ca(3) Cl(1) F(1) Ca(2) -119.97(7) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 120.03(7) ? . . . 5_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(5) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(5) ? . . . 5_555
Ca(3) Cl(1) Cl(1) Ca(2) -120.03(5) ? 3_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) -60.03(9) ? 3_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -0.03(7) ? 3_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 59.97(5) ? 3_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 119.97(9) ? 3_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 179.965(17) ? 3_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(7) ? 3_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(5) ? 3_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) 120.03(5) ? 3_555 . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(2) 0.03(7) ? 3_555 . 8_555 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -119.97(9) ? 3_555 . 8_555 5_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(5) ? 3_555 . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(7) ? 3_555 . 8_555 5_555
Ca(3) Cl(1) F(1) Ca(2) 120.03(5) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 0.03(7) ? 3_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -119.97(9) ? 3_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(5) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(3) -120.00(7) ? 3_555 . . 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 119.97(5) ? 5_555 . 7_556 .
Ca(3) Cl(1) Cl(1) Ca(2) 179.97(9) ? 5_555 . 7_556 2_555
Ca(3) Cl(1) Cl(1) Ca(2) -120.03(9) ? 5_555 . 7_556 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -60.03(5) ? 5_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(2) -0.03(5) ? 5_555 . 7_556 5_555
Ca(3) Cl(1) Cl(1) Ca(2) 59.97(9) ? 5_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(3) -60.00(5) ? 5_555 . 7_556 4_555
Ca(3) Cl(1) Cl(1) Ca(3) 60.00(7) ? 5_555 . 7_556 6_555
Ca(3) Cl(1) Cl(1) Ca(2) -119.97(5) ? 5_555 . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(2) 120.03(9) ? 5_555 . 8_555 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 0.03(5) ? 5_555 . 8_555 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(5) ? 5_555 . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(7) ? 5_555 . 8_555 3_555
Ca(3) Cl(1) F(1) Ca(2) -119.97(5) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 120.03(9) ? 5_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 0.03(5) ? 5_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(5) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(3) 120.00(7) ? 5_555 . . 3_555
Ca(1) P(1) O(1) Ca(1) 120.147(18) ? 2_655 . . .
Ca(1) P(1) O(1) Ca(1) -19.67(5) ? 2_655 . . 8_565
Ca(1) P(1) O(1) Ca(2) -129.761(18) ? 2_655 . . 3_555
Ca(1) P(1) O(1) Ca(3) -129.761(18) ? 2_655 . . 3_555
Ca(1) P(1) O(2) Ca(1) 93.23(3) ? 2_655 . . 7_665
Ca(1) P(1) O(2) Ca(2) -133.38(2) ? 2_655 . . 5_665
Ca(1) P(1) O(2) Ca(3) -133.38(2) ? 2_655 . . 5_665
Ca(1) P(1) O(3) Ca(1) -40.98(2) ? 2_655 . . 7_665
Ca(1) P(1) O(3) Ca(2) 59.73(8) ? 2_655 . . .
Ca(1) P(1) O(3) Ca(3) 54.68(6) ? 2_655 . . .
Ca(1) P(1) O(3) Ca(2) -153.70(11) ? 2_655 . . 2_554
Ca(1) P(1) O(3) Ca(3) -146.62(9) ? 2_655 . . 2_554
Ca(1) P(1) O(3) Ca(2) -100.71(8) ? 2_655 . 10_555 .
Ca(1) P(1) O(3) Ca(3) -95.66(6) ? 2_655 . 10_555 .
Ca(1) P(1) O(1) Ca(1) 19.67(5) ? 7_665 . . .
Ca(1) P(1) O(1) Ca(1) -120.144(18) ? 7_665 . . 8_565
Ca(1) P(1) O(1) Ca(2) 129.762(18) ? 7_665 . . 3_555
Ca(1) P(1) O(1) Ca(3) 129.762(18) ? 7_665 . . 3_555
Ca(1) P(1) O(2) Ca(1) -93.23(3) ? 7_665 . . 2_655
Ca(1) P(1) O(2) Ca(2) 133.39(2) ? 7_665 . . 5_665
Ca(1) P(1) O(2) Ca(3) 133.39(2) ? 7_665 . . 5_665
Ca(1) P(1) O(3) Ca(2) 100.71(8) ? 7_665 . . .
Ca(1) P(1) O(3) Ca(3) 95.66(6) ? 7_665 . . .
Ca(1) P(1) O(3) Ca(2) -112.72(12) ? 7_665 . . 2_554
Ca(1) P(1) O(3) Ca(3) -105.64(10) ? 7_665 . . 2_554
Ca(1) P(1) O(3) Ca(2) -59.73(8) ? 7_665 . 10_555 .
Ca(1) P(1) O(3) Ca(3) -54.68(6) ? 7_665 . 10_555 .
Ca(2) P(1) O(1) Ca(1) -110.09(3) ? . . . .
Ca(2) P(1) O(1) Ca(1) 110.09(3) ? . . . 8_565
Ca(2) P(1) O(2) Ca(1) -46.62(2) ? . . . 2_655
Ca(2) P(1) O(2) Ca(1) 46.61(2) ? . . . 7_665
Ca(2) P(1) O(3) Ca(1) -100.71(8) ? . . . 7_665
Ca(2) P(1) O(3) Ca(3) -5.05(9) ? . . . .
Ca(2) P(1) O(3) Ca(2) 146.57(14) ? . . . 2_554
Ca(2) P(1) O(3) Ca(3) 153.65(13) ? . . . 2_554
Ca(2) P(1) O(3) Ca(3) 5.05(9) ? . . 10_555 .
Ca(3) P(1) O(1) Ca(1) -110.09(3) ? . . . .
Ca(3) P(1) O(1) Ca(1) 110.09(3) ? . . . 8_565
Ca(3) P(1) O(2) Ca(1) -46.62(2) ? . . . 2_655
Ca(3) P(1) O(2) Ca(1) 46.61(2) ? . . . 7_665
Ca(3) P(1) O(3) Ca(1) -95.66(6) ? . . . 7_665
Ca(3) P(1) O(3) Ca(2) 5.05(9) ? . . . .
Ca(3) P(1) O(3) Ca(2) 151.62(14) ? . . . 2_554
Ca(3) P(1) O(3) Ca(3) 158.70(12) ? . . . 2_554
Ca(3) P(1) O(3) Ca(2) -5.05(9) ? . . 10_555 .
Ca(3) P(1) O(1) Ca(1) 69.91(3) ? 5_665 . . .
Ca(3) P(1) O(1) Ca(1) -69.91(3) ? 5_665 . . 8_565
Ca(3) P(1) O(2) Ca(1) 133.38(2) ? 5_665 . . 2_655
Ca(3) P(1) O(2) Ca(1) -133.39(2) ? 5_665 . . 7_665
Ca(3) P(1) O(3) Ca(1) 44.10(5) ? 5_665 . . 7_665
Ca(3) P(1) O(3) Ca(2) 144.82(9) ? 5_665 . . .
Ca(3) P(1) O(3) Ca(3) 139.76(7) ? 5_665 . . .
Ca(3) P(1) O(3) Ca(2) -68.62(13) ? 5_665 . . 2_554
Ca(3) P(1) O(3) Ca(3) -61.53(11) ? 5_665 . . 2_554
Ca(3) P(1) O(3) Ca(2) -144.82(9) ? 5_665 . 10_555 .
Ca(3) P(1) O(3) Ca(3) -139.76(7) ? 5_665 . 10_555 .
O(1) P(1) O(2) Ca(1) 133.38(2) ? . . . 2_655
O(1) P(1) O(2) Ca(1) -133.39(2) ? . . . 7_665
O(2) P(1) O(1) Ca(1) 69.91(3) ? . . . .
O(2) P(1) O(1) Ca(1) -69.91(3) ? . . . 8_565
O(1) P(1) O(3) Ca(1) 131.42(2) ? . . . 7_665
O(1) P(1) O(3) Ca(2) -127.87(8) ? . . . .
O(1) P(1) O(3) Ca(3) -132.92(6) ? . . . .
O(1) P(1) O(3) Ca(2) 18.70(12) ? . . . 2_554
O(1) P(1) O(3) Ca(3) 25.78(10) ? . . . 2_554
O(3) P(1) O(1) Ca(1) -49.74(4) ? . . . .
O(3) P(1) O(1) Ca(1) 170.44(3) ? . . . 8_565
O(3) P(1) O(1) Ca(2) 60.35(2) ? . . . 3_555
O(3) P(1) O(1) Ca(3) 60.35(2) ? . . . 3_555
O(1) P(1) O(3) Ca(2) 127.87(8) ? . . 10_555 .
O(1) P(1) O(3) Ca(3) 132.92(6) ? . . 10_555 .
O(3) P(1) O(1) Ca(1) -170.44(3) ? 10_555 . . .
O(3) P(1) O(1) Ca(1) 49.75(4) ? 10_555 . . 8_565
O(3) P(1) O(1) Ca(2) -60.35(2) ? 10_555 . . 3_555
O(3) P(1) O(1) Ca(3) -60.35(2) ? 10_555 . . 3_555
O(2) P(1) O(3) Ca(1) 9.50(3) ? . . . 7_665
O(2) P(1) O(3) Ca(2) 110.21(8) ? . . . .
O(2) P(1) O(3) Ca(3) 105.16(6) ? . . . .
O(2) P(1) O(3) Ca(2) -103.22(12) ? . . . 2_554
O(2) P(1) O(3) Ca(3) -96.14(10) ? . . . 2_554
O(3) P(1) O(2) Ca(1) -104.46(3) ? . . . 2_655
O(3) P(1) O(2) Ca(1) -11.23(3) ? . . . 7_665
O(3) P(1) O(2) Ca(2) 122.15(2) ? . . . 5_665
O(3) P(1) O(2) Ca(3) 122.15(2) ? . . . 5_665
O(2) P(1) O(3) Ca(2) -110.21(8) ? . . 10_555 .
O(2) P(1) O(3) Ca(3) -105.16(6) ? . . 10_555 .
O(3) P(1) O(2) Ca(1) 11.23(3) ? 10_555 . . 2_655
O(3) P(1) O(2) Ca(1) 104.46(3) ? 10_555 . . 7_665
O(3) P(1) O(2) Ca(2) -122.15(2) ? 10_555 . . 5_665
O(3) P(1) O(2) Ca(3) -122.15(2) ? 10_555 . . 5_665
O(3) P(1) O(3) Ca(2) 5.07(8) ? . . 10_555 .
O(3) P(1) O(3) Ca(3) 10.13(7) ? . . 10_555 .
O(3) P(1) O(3) Ca(1) -105.78(3) ? 10_555 . . 7_665
O(3) P(1) O(3) Ca(2) -5.07(8) ? 10_555 . . .
O(3) P(1) O(3) Ca(3) -10.13(7) ? 10_555 . . .
O(3) P(1) O(3) Ca(2) 141.50(11) ? 10_555 . . 2_554
O(3) P(1) O(3) Ca(3) 148.58(10) ? 10_555 . . 2_554

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Cl(1) O(3) 2.9942(7) ? . 12_555
F(1) O(3) 3.2358(7) ? . 12_555
O(1) O(2) 3.47919(15) ? . 4_665
O(1) O(3) 3.5220(7) ? . 4_665
O(2) O(1) 3.47919(15) ? . 4_665
O(2) O(3) 3.2125(8) ? . 4_665
O(2) O(3) 2.9616(8) ? . 8_665
O(3) O(1) 3.0002(9) ? . 6_554


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

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

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

#     End of CIF

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

