data_global 
_audit_creation_date        "11-06-20"
_audit_creation_method CRYSTALS_ver_14.11

_oxford_structure_analysis_title  'Bu3_10 in C2/c'
_chemical_name_systematic         '2M1 phlogopite'
_chemical_melting_point           ?


 
data_1 
 

_publ_requested_journal          Am.Miner.
_publ_contact_author_name        'Professor Fernando Scordari '
_publ_contact_author_address     
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
_publ_contact_author_email       f.scordari@geomin.uniba.it
_publ_contact_author_phone       '+39 080 5442587'
_publ_contact_author_fax         '+39 080 5442597'

_publ_section_title 
; 
CRYSTAL CHEMISTRY OF TRIOCTAHEDRAL MICAS-2M1 FROM BUNYARUGURU 
(SW UGANDA) KAMAFUGITE 
; 

loop_
_publ_author_name
_publ_author_address
'Scordari, Fernando '
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
'Schingaro, Emanuela'
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
'Lacalamita, Maria'
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
'Mesto, Ernesto'
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;

_cell_length_a                    5.3283(10)
_cell_length_b                    9.2304(10)
_cell_length_c                    20.1565(10)
_cell_angle_alpha                 90
_cell_angle_beta                  95.131(10)
_cell_angle_gamma                 90
_cell_volume                      987.4(2)
 
_symmetry_cell_setting            'Monoclinic' 
_symmetry_space_group_name_H-M    'C 1 2/c 1 ' 
_symmetry_space_group_name_Hall   ? 
loop_
 _symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
 'x+1/2,y+1/2,z'
 '-x+1/2,-y+1/2,-z'
 '-x,y,-z+1/2'
 'x,-y,z+1/2'
 '-x+1/2,y+1/2,-z+1/2'
 'x+1/2,-y+1/2,z+1/2'

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source  
 H       0.0000   0.0000   0.4930  10.5109   0.3229  26.1257   0.1402   3.1424
   0.0408  57.7997   0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Fep2    0.3010   0.8450  11.0424   4.6538   7.3740   0.3053   4.1346  12.0546
   0.4399  31.2809   1.0097 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Kp1     0.1790   0.2500   7.9578  12.6331   7.4917   0.7674   6.3590  -0.0020
   1.1915  31.9128  -4.9978 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Mgp2    0.0420   0.0360   3.4988   2.1676   3.8378   4.7542   1.3284   0.1850
   0.8497  10.1411   0.4853 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Si      0.0720   0.0710   6.2915   2.4386   3.0353  32.3337   1.9891   0.6785
   1.5410  81.6937   1.1407 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Sip4    0.0720   0.0710   4.4392   1.6417   3.2034   3.4376   1.1945   0.2149
   0.4165   6.6536   0.7463 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 O       0.0080   0.0060   3.0485  13.2771   2.2868   5.7011   1.5463   0.3239
   0.8670  32.9089   0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Om2     0.0080   0.0060   3.7504  16.5151   2.8429   6.5920   1.5430   0.3192
   1.6209  43.3486   0.2421 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 
 
_cell_formula_units_Z                    4

# Given Formula = H2 Fep21.50 Kp11 Mgp21.50 O6 Om26 Sip42 Si2 
# Dc =      3.13 Fooo =    821.56 Mu =     55.29 M =    232.84
# Found Formula = H1.19 Fep20.69 Kp10.50 Mgp21.81 O5.69 Om26.31 Si2.99 Sip41.01 
# Dc =      2.98 FOOO =    821.56 Mu =     50.23 M =    221.70

_chemical_formula_sum             'H1.19 Fep20.69 Kp10.50 Mgp21.81 O5.69 Om26.31 Si2.99 Sip41.01'
_chemical_formula_moiety          'H1.19 Fep20.69 Kp10.50 Mgp21.81 O5.69 Om26.31 Si2.99 Sip41.01'
_chemical_compound_source         'Natural'
_chemical_formula_weight            443.40
 
 
_cell_measurement_reflns_used            0
_cell_measurement_theta_min              0
_cell_measurement_theta_max              0
_cell_measurement_temperature          293
 
_exptl_crystal_description        'platy' 
_exptl_crystal_colour             'brown' 
_exptl_crystal_size_min           0.040 
_exptl_crystal_size_mid           0.550 
_exptl_crystal_size_max           0.620 
 
_exptl_crystal_density_diffrn     2.983 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured' 
# Non-dispersive F(000): 
_exptl_crystal_F_000              821.561 
_exptl_absorpt_coefficient_mu     5.023 
 
# Sheldrick geometric approximatio 0.06 0.82 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_process_details    'SADABS (Siemens, 1996)' 
_exptl_absorpt_correction_T_min   0.7460
_exptl_absorpt_correction_T_max   1.0000 
# For a Kappa CCD, set Tmin to 1.0 and 
# Tmax to the ratio of max:min frame scales in scale_all.log 
_diffrn_measurement_device_type   'Nonius KappaCCD' 
_diffrn_measurement_device        'Area' 
_diffrn_radiation_monochromator   'graphite' 
_diffrn_radiation_type            'Mo K\a'
_diffrn_radiation_wavelength           0.71070
_diffrn_measurement_method        ω/2θ 
 
# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection        'COLLECT (Nonius, 2001).' 
_computing_cell_refinement        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)' 
_computing_data_reduction         'DENZO/SCALEPACK (Otwinowski & Minor, 1997)' 
_computing_structure_solution     'Superflip (Palatinus & Chapuis, 2007)' 
_computing_structure_refinement   'CRYSTALS (Betteridge et al., 2003)' 
_computing_publication_material   'CRYSTALS (Betteridge et al., 2003)' 
_computing_molecular_graphics     'CAMERON (Watkin et al., 1996)' 
 
_diffrn_standards_interval_time   . 
_diffrn_standards_interval_count  . 
_diffrn_standards_number          0 
_diffrn_standards_decay_%         ? 
 
_diffrn_ambient_temperature        293
_diffrn_reflns_number             56205 
_reflns_number_total              3810 
_diffrn_reflns_av_R_equivalents   0.043 
# Number of reflections without Friedels Law is 3810 
# Number of reflections with Friedels Law is 0 
# Theoretical number of reflections is about 4075 
 
 
_diffrn_reflns_theta_min          2.029 
_diffrn_reflns_theta_max          45.009 
_diffrn_measured_fraction_theta_max 0.932 
 
_diffrn_reflns_theta_full         41.408 
_diffrn_measured_fraction_theta_full 0.997 
 
 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -39 
_diffrn_reflns_limit_l_max        39 
_reflns_limit_h_min               -10 
_reflns_limit_h_max               9 
_reflns_limit_k_min               0 
_reflns_limit_k_max               18 
_reflns_limit_l_min               0 
_reflns_limit_l_max               39 
 
_oxford_diffrn_Wilson_B_factor    0.00 
_oxford_diffrn_Wilson_scale       0.00 
 
_atom_sites_solution_primary      direct #heavy,direct,difmap,geom
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens    geom
 
_refine_diff_density_min          -0.92 
_refine_diff_density_max          0.90 
 
 
# The current dictionary definitions do not cover the 
# situation where the reflections used for refinement were 
# selected by a user-defined sigma threshold 
 
 
# The values actually used during refinement 
_oxford_reflns_threshold_expression_ref     I>3.0\s(I)
_refine_ls_number_reflns          2155 
_refine_ls_number_restraints      27 
_refine_ls_number_parameters      110 
_oxford_refine_ls_R_factor_ref    0.0344 
_refine_ls_wR_factor_ref          0.0402 
_refine_ls_goodness_of_fit_ref    0.9930 
_refine_ls_shift/su_max           0.0002076 
_refine_ls_shift/su_mean          0.0000167 
 
 
# The values computed from all data 
_oxford_reflns_number_all         3427 
_refine_ls_R_factor_all           0.0702 
_refine_ls_wR_factor_all          0.0885 
 
# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression      I>2.0σ(I)
_reflns_number_gt                 2370 
_refine_ls_R_factor_gt            0.0401 
_refine_ls_wR_factor_gt           0.0439 
 
# choose from: rm (reference molecule of known chirality), 
# ad (anomolous dispersion - Flack), rmad (rm and ad), 
# syn (from synthesis), unk (unknown) or . (not applicable). 
_chemical_absolute_configuration  '.' 
 
 
_refine_ls_structure_factor_coef  F 
_refine_ls_matrix_type            full
_refine_ls_hydrogen_treatment     none           # none, undef, noref, refall,
                                                 # refxyz, refU, constr or mixed
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 0.704 0.707 0.458 0.223 0.115 
;
# Insert your own references if required - in alphabetical order 
_publ_section_references 
; 
Betteridge, P.W., Carruthers, J.R., Cooper, R.I., 
Prout, K. & Watkin, D.J. (2003). J. Appl. Cryst. 36, 1487. 
 
Nonius (2001). COLLECT. Nonius BV, Delft, The Netherlands. 
 
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, 
edited by C. W. Carter Jr & R. M. Sweet, pp. 307--326. 
New York: Academic Press. 
 
Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst. 40, 786-790. 
 
Prince, E. 
Mathematical Techniques in Crystallography 
and Materials Science 
Springer-Verlag, New York, 1982. 
 
Siemens Industrial Automation, Inc (1996). 
SADABS: Area-Detector Absorption Correction;: Madison, WI. 
 
Watkin D.J. (1994). 
Acta Cryst, A50, 411-437. 
 
Watkin, D.J., Prout, C.K. & Pearce, L.J. (1996). CAMERON, Chemical 
Crystallography Laboratory, Oxford, UK. 
; 

# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3

# Replace last . with number of unfound hydrogen atomsattached to an atom.

# ..._refinement_flags_... 
# . no refinement constraints           S special position constraint on site
# G rigid group refinement of site      R riding atom
# D distance or angle restraint on site T thermal displacement constraints
# U Uiso or Uij restraint (rigid bond)  P partial occupancy constraint


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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Kp11 Kp1 0.0000 0.08390(10) 0.2500 0.0350 0.992(2) Uani . . P . . . 
Mgp22 Mgp2 0.7500 0.2500 0.0000 0.0114 0.726(3) Uani . . P . . . 
Fep22 Fep2 0.7500 0.2500 0.0000 0.0114 0.274(2) Uani . . P . . . 
Mgp23 Mgp2 0.24076(7) 0.08028(4) 0.000015(18) 0.0126 0.722(3) Uani . . P . . . 
Fep23 Fep2 0.24076(7) 0.08028(4) 0.000015(18) 0.0126 0.278(3) Uani . . P . . . 
Sip44 Sip4 0.46161(8) 0.24994(5) 0.13728(2) 0.0100 0.211(7) Uani . . P . . . 
Si4 Si 0.46161(8) 0.24994(5) 0.13728(2) 0.0100 0.788(7) Uani . . P . . . 
Sip45 Sip4 0.96357(7) 0.41703(5) 0.13721(2) 0.0108 0.295(7) Uani . . P . . . 
Si5 Si 0.96357(7) 0.41703(5) 0.13721(2) 0.0108 0.705(7) Uani . . P . . . 
Om26 Om2 0.7401(3) 0.31634(16) 0.16547(7) 0.0195 0.546(7) Uani . . P . . . 
O6 O 0.7401(3) 0.31634(16) 0.16547(7) 0.0195 0.454(7) Uani . . P . . . 
Om27 Om2 0.2387(3) 0.35035(16) 0.16637(7) 0.0191 0.388(7) Uani . . P . . . 
O7 O 0.2387(3) 0.35035(16) 0.16637(7) 0.0191 0.612(7) Uani . . P . . . 
Om28 Om2 0.4381(3) 0.08343(15) 0.16630(6) 0.0193 0.479(7) Uani . . P . . . 
O8 O 0.4381(3) 0.08343(15) 0.16630(6) 0.0193 0.521(7) Uani . . P . . . 
Om29 Om2 0.4317(2) 0.25723(12) 0.05445(5) 0.0099 0.642(7) Uani . . P . . . 
O9 O 0.4317(2) 0.25723(12) 0.05445(5) 0.0099 0.358(7) Uani . . P . . . 
Om210 Om2 0.93697(19) 0.42531(12) 0.05450(5) 0.0093 0.562(7) Uani . . P . . . 
O10 O 0.93697(19) 0.42531(12) 0.05450(5) 0.0093 0.438(7) Uani . . P . . . 
Om211 Om2 0.9349(2) 0.09043(13) 0.05094(5) 0.0120 0.540(7) Uani . . P . . . 
O11 O 0.9349(2) 0.09043(13) 0.05094(5) 0.0120 0.460(7) Uani D . P . . . 
H11 H 0.9467 0.0987 0.0905 0.0120 0.593(7) Uani DR . P . . . 

_refine_ls_extinction_method 
    'None'
_oxford_refine_ls_scale 0.2897(5) 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_site_symmetry_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
Mgp22 . Om211 4_655 2.0032(11)    yes
Mgp22 . O11 4_655 2.0032(11)    yes
Mgp22 . Om29 4_655 2.1022(11)    yes
Mgp22 . O9 4_655 2.1022(11)    yes
Mgp22 . O10 4_655 2.1499(11)    yes
Mgp22 . Om210 4_655 2.1499(11)    yes
Mgp22 . Om29 . 2.1022(11)    yes
Mgp22 . O9 . 2.1022(11)    yes
Mgp22 . Om210 . 2.1499(11)    yes
Mgp22 . O10 . 2.1499(11)    yes
Mgp22 . Om211 . 2.0032(11)    yes
Mgp22 . O11 . 2.0032(11)    yes
Fep22 . Om210 4_655 2.1499(11)    yes
Fep22 . O10 4_655 2.1499(11)    yes
Fep22 . O9 4_655 2.1022(11)    yes
Fep22 . Om29 4_655 2.1022(11)    yes
Fep22 . Om211 4_655 2.0032(11)    yes
Fep22 . O11 4_655 2.0032(11)    yes
Fep22 . Om29 . 2.1022(11)    yes
Fep22 . O9 . 2.1022(11)    yes
Fep22 . Om210 . 2.1499(11)    yes
Fep22 . O10 . 2.1499(11)    yes
Fep22 . Om211 . 2.0032(11)    yes
Fep22 . O11 . 2.0032(11)    yes
Mgp23 . O11 1_455 2.0046(12)    yes
Mgp23 . Om211 1_455 2.0046(12)    yes
Mgp23 . O9 4_555 2.0294(12)    yes
Mgp23 . Om29 4_555 2.0294(12)    yes
Mgp23 . O10 3_445 2.0347(11)    yes
Mgp23 . Om210 3_445 2.0347(11)    yes
Mgp23 . Om211 2_655 2.0595(13)    yes
Mgp23 . O11 2_655 2.0595(13)    yes
Mgp23 . O10 4_655 2.1204(11)    yes
Mgp23 . Om210 4_655 2.1204(11)    yes
Mgp23 . Om29 . 2.1695(12)    yes
Mgp23 . O9 . 2.1695(12)    yes
Fep23 . O10 4_655 2.1204(11)    yes
Fep23 . Om210 4_655 2.1204(11)    yes
Fep23 . Om211 2_655 2.0595(13)    yes
Fep23 . O11 2_655 2.0595(13)    yes
Fep23 . O10 3_445 2.0347(11)    yes
Fep23 . Om210 3_445 2.0347(11)    yes
Fep23 . O9 4_555 2.0294(12)    yes
Fep23 . Om29 4_555 2.0294(12)    yes
Fep23 . O11 1_455 2.0046(12)    yes
Fep23 . Om29 . 2.1695(12)    yes
Fep23 . O9 . 2.1695(12)    yes
Sip44 . Om26 . 1.6582(14)    yes
Sip44 . O6 . 1.6582(14)    yes
Sip44 . Om27 . 1.6549(14)    yes
Sip44 . O7 . 1.6549(14)    yes
Sip44 . Om28 . 1.6532(14)    yes
Sip44 . O8 . 1.6532(14)    yes
Sip44 . Om29 . 1.6643(11)    yes
Sip44 . O9 . 1.6643(11)    yes
Si4 . Om26 . 1.6582(14)    yes
Si4 . O6 . 1.6582(14)    yes
Si4 . Om27 . 1.6549(14)    yes
Si4 . O7 . 1.6549(14)    yes
Si4 . Om28 . 1.6532(14)    yes
Si4 . O8 . 1.6532(14)    yes
Si4 . Om29 . 1.6643(11)    yes
Si4 . O9 . 1.6643(11)    yes
Sip45 . O8 3_555 1.6539(15)    yes
Sip45 . Om28 3_555 1.6539(15)    yes
Sip45 . O7 1_655 1.6488(14)    yes
Sip45 . Om27 1_655 1.6488(14)    yes
Sip45 . Om26 . 1.6515(14)    yes
Sip45 . O6 . 1.6515(14)    yes
Sip45 . Om210 . 1.6622(11)    yes
Sip45 . O10 . 1.6622(11)    yes
Si5 . O8 3_555 1.6539(15)    yes
Si5 . Om28 3_555 1.6539(15)    yes
Si5 . O7 1_655 1.6488(14)    yes
Si5 . Om27 1_655 1.6488(14)    yes
Si5 . Om26 . 1.6515(14)    yes
Si5 . O6 . 1.6515(14)    yes
Si5 . Om210 . 1.6622(11)    yes
Si5 . O10 . 1.6622(11)    yes
Om211 . H11 . 0.797    no
O11 . H11 . 0.797    no
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_site_symmetry_1
 _geom_angle_atom_site_label_2
 _geom_angle_site_symmetry_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
Om211 4_655 Mgp22 . Om29 4_655 97.96(4)    yes
O11 4_655 Mgp22 . Om29 4_655 97.96(4)    yes
Om211 4_655 Mgp22 . O9 4_655 97.96(4)    yes
O11 4_655 Mgp22 . O9 4_655 97.96(4)    yes
Om211 4_655 Mgp22 . O10 4_655 96.16(4)    yes
O11 4_655 Mgp22 . O10 4_655 96.16(4)    yes
Om29 4_655 Mgp22 . O10 4_655 93.90(4)    yes
O9 4_655 Mgp22 . O10 4_655 93.90(4)    yes
Om211 4_655 Mgp22 . Om210 4_655 96.16(4)    yes
O11 4_655 Mgp22 . Om210 4_655 96.16(4)    yes
Om29 4_655 Mgp22 . Om210 4_655 93.90(4)    yes
O9 4_655 Mgp22 . Om210 4_655 93.90(4)    yes
Om211 4_655 Mgp22 . Om29 . 82.04(4)    yes
O11 4_655 Mgp22 . Om29 . 82.04(4)    yes
Om29 4_655 Mgp22 . Om29 . 179.995    yes
O9 4_655 Mgp22 . Om29 . 179.995    yes
O10 4_655 Mgp22 . Om29 . 86.10(4)    yes
Om211 4_655 Mgp22 . O9 . 82.04(4)    yes
O11 4_655 Mgp22 . O9 . 82.04(4)    yes
Om29 4_655 Mgp22 . O9 . 179.995    yes
O9 4_655 Mgp22 . O9 . 179.995    yes
O10 4_655 Mgp22 . O9 . 86.10(4)    yes
Om211 4_655 Mgp22 . Om210 . 83.84(4)    yes
O11 4_655 Mgp22 . Om210 . 83.84(4)    yes
Om29 4_655 Mgp22 . Om210 . 86.10(4)    yes
O9 4_655 Mgp22 . Om210 . 86.10(4)    yes
O10 4_655 Mgp22 . Om210 . 179.995    yes
Om211 4_655 Mgp22 . O10 . 83.84(4)    yes
O11 4_655 Mgp22 . O10 . 83.84(4)    yes
Om29 4_655 Mgp22 . O10 . 86.10(4)    yes
O9 4_655 Mgp22 . O10 . 86.10(4)    yes
O10 4_655 Mgp22 . O10 . 179.995    yes
Om211 4_655 Mgp22 . Om211 . 179.994    yes
O11 4_655 Mgp22 . Om211 . 179.994    yes
Om29 4_655 Mgp22 . Om211 . 82.04(4)    yes
O9 4_655 Mgp22 . Om211 . 82.04(4)    yes
O10 4_655 Mgp22 . Om211 . 83.84(4)    yes
Om211 4_655 Mgp22 . O11 . 179.994    yes
O11 4_655 Mgp22 . O11 . 179.994    yes
Om29 4_655 Mgp22 . O11 . 82.04(4)    yes
O9 4_655 Mgp22 . O11 . 82.04(4)    yes
O10 4_655 Mgp22 . O11 . 83.84(4)    yes
Om210 4_655 Mgp22 . Om29 . 86.10(4)    yes
Om210 4_655 Mgp22 . O9 . 86.10(4)    yes
Om210 4_655 Mgp22 . Om210 . 179.995    yes
Om29 . Mgp22 . Om210 . 93.90(4)    yes
O9 . Mgp22 . Om210 . 93.90(4)    yes
Om210 4_655 Mgp22 . O10 . 179.995    yes
Om29 . Mgp22 . O10 . 93.90(4)    yes
O9 . Mgp22 . O10 . 93.90(4)    yes
Om210 4_655 Mgp22 . Om211 . 83.84(4)    yes
Om29 . Mgp22 . Om211 . 97.96(4)    yes
O9 . Mgp22 . Om211 . 97.96(4)    yes
Om210 . Mgp22 . Om211 . 96.16(4)    yes
O10 . Mgp22 . Om211 . 96.16(4)    yes
Om210 4_655 Mgp22 . O11 . 83.84(4)    yes
Om29 . Mgp22 . O11 . 97.96(4)    yes
O9 . Mgp22 . O11 . 97.96(4)    yes
Om210 . Mgp22 . O11 . 96.16(4)    yes
O10 . Mgp22 . O11 . 96.16(4)    yes
Om210 4_655 Fep22 . O9 4_655 93.90(4)    yes
O10 4_655 Fep22 . O9 4_655 93.90(4)    yes
Om210 4_655 Fep22 . Om29 4_655 93.90(4)    yes
O10 4_655 Fep22 . Om29 4_655 93.90(4)    yes
Om210 4_655 Fep22 . Om211 4_655 96.16(4)    yes
O10 4_655 Fep22 . Om211 4_655 96.16(4)    yes
O9 4_655 Fep22 . Om211 4_655 97.96(4)    yes
Om29 4_655 Fep22 . Om211 4_655 97.96(4)    yes
Om210 4_655 Fep22 . O11 4_655 96.16(4)    yes
O10 4_655 Fep22 . O11 4_655 96.16(4)    yes
O9 4_655 Fep22 . O11 4_655 97.96(4)    yes
Om29 4_655 Fep22 . O11 4_655 97.96(4)    yes
Om210 4_655 Fep22 . Om29 . 86.10(4)    yes
O10 4_655 Fep22 . Om29 . 86.10(4)    yes
O9 4_655 Fep22 . Om29 . 179.995    yes
Om29 4_655 Fep22 . Om29 . 179.995    yes
Om211 4_655 Fep22 . Om29 . 82.04(4)    yes
Om210 4_655 Fep22 . O9 . 86.10(4)    yes
O10 4_655 Fep22 . O9 . 86.10(4)    yes
O9 4_655 Fep22 . O9 . 179.995    yes
Om29 4_655 Fep22 . O9 . 179.995    yes
Om211 4_655 Fep22 . O9 . 82.04(4)    yes
Om210 4_655 Fep22 . Om210 . 179.995    yes
O10 4_655 Fep22 . Om210 . 179.995    yes
O9 4_655 Fep22 . Om210 . 86.10(4)    yes
Om29 4_655 Fep22 . Om210 . 86.10(4)    yes
Om211 4_655 Fep22 . Om210 . 83.84(4)    yes
Om210 4_655 Fep22 . O10 . 179.995    yes
O10 4_655 Fep22 . O10 . 179.995    yes
O9 4_655 Fep22 . O10 . 86.10(4)    yes
Om29 4_655 Fep22 . O10 . 86.10(4)    yes
Om211 4_655 Fep22 . O10 . 83.84(4)    yes
Om210 4_655 Fep22 . Om211 . 83.84(4)    yes
O10 4_655 Fep22 . Om211 . 83.84(4)    yes
O9 4_655 Fep22 . Om211 . 82.04(4)    yes
Om29 4_655 Fep22 . Om211 . 82.04(4)    yes
Om211 4_655 Fep22 . Om211 . 179.994    yes
Om210 4_655 Fep22 . O11 . 83.84(4)    yes
O10 4_655 Fep22 . O11 . 83.84(4)    yes
O9 4_655 Fep22 . O11 . 82.04(4)    yes
Om29 4_655 Fep22 . O11 . 82.04(4)    yes
Om211 4_655 Fep22 . O11 . 179.994    yes
O11 4_655 Fep22 . Om29 . 82.04(4)    yes
O11 4_655 Fep22 . O9 . 82.04(4)    yes
O11 4_655 Fep22 . Om210 . 83.84(4)    yes
Om29 . Fep22 . Om210 . 93.90(4)    yes
O9 . Fep22 . Om210 . 93.90(4)    yes
O11 4_655 Fep22 . O10 . 83.84(4)    yes
Om29 . Fep22 . O10 . 93.90(4)    yes
O9 . Fep22 . O10 . 93.90(4)    yes
O11 4_655 Fep22 . Om211 . 179.994    yes
Om29 . Fep22 . Om211 . 97.96(4)    yes
O9 . Fep22 . Om211 . 97.96(4)    yes
Om210 . Fep22 . Om211 . 96.16(4)    yes
O10 . Fep22 . Om211 . 96.16(4)    yes
O11 4_655 Fep22 . O11 . 179.994    yes
Om29 . Fep22 . O11 . 97.96(4)    yes
O9 . Fep22 . O11 . 97.96(4)    yes
Om210 . Fep22 . O11 . 96.16(4)    yes
O10 . Fep22 . O11 . 96.16(4)    yes
O11 1_455 Mgp23 . O9 4_555 83.86(5)    yes
Om211 1_455 Mgp23 . O9 4_555 83.86(5)    yes
O11 1_455 Mgp23 . Om29 4_555 83.86(5)    yes
Om211 1_455 Mgp23 . Om29 4_555 83.86(5)    yes
O11 1_455 Mgp23 . O10 3_445 99.12(5)    yes
Om211 1_455 Mgp23 . O10 3_445 99.12(5)    yes
O9 4_555 Mgp23 . O10 3_445 175.93(4)    yes
Om29 4_555 Mgp23 . O10 3_445 175.93(4)    yes
O11 1_455 Mgp23 . Om210 3_445 99.12(5)    yes
Om211 1_455 Mgp23 . Om210 3_445 99.12(5)    yes
O9 4_555 Mgp23 . Om210 3_445 175.93(4)    yes
Om29 4_555 Mgp23 . Om210 3_445 175.93(4)    yes
O11 1_455 Mgp23 . Om211 2_655 86.39(5)    yes
Om211 1_455 Mgp23 . Om211 2_655 86.39(5)    yes
O9 4_555 Mgp23 . Om211 2_655 97.59(4)    yes
Om29 4_555 Mgp23 . Om211 2_655 97.59(4)    yes
O10 3_445 Mgp23 . Om211 2_655 85.40(4)    yes
O11 1_455 Mgp23 . O11 2_655 86.39(5)    yes
Om211 1_455 Mgp23 . O11 2_655 86.39(5)    yes
O9 4_555 Mgp23 . O11 2_655 97.59(4)    yes
Om29 4_555 Mgp23 . O11 2_655 97.59(4)    yes
O10 3_445 Mgp23 . O11 2_655 85.40(4)    yes
O11 1_455 Mgp23 . O10 4_655 178.66(4)    yes
Om211 1_455 Mgp23 . O10 4_655 178.66(4)    yes
O9 4_555 Mgp23 . O10 4_655 94.94(5)    yes
Om29 4_555 Mgp23 . O10 4_655 94.94(5)    yes
O10 3_445 Mgp23 . O10 4_655 82.05(5)    yes
O11 1_455 Mgp23 . Om210 4_655 178.66(4)    yes
Om211 1_455 Mgp23 . Om210 4_655 178.66(4)    yes
O9 4_555 Mgp23 . Om210 4_655 94.94(5)    yes
Om29 4_555 Mgp23 . Om210 4_655 94.94(5)    yes
O10 3_445 Mgp23 . Om210 4_655 82.05(5)    yes
O11 1_455 Mgp23 . Om29 . 94.12(5)    yes
Om211 1_455 Mgp23 . Om29 . 94.12(5)    yes
O9 4_555 Mgp23 . Om29 . 83.47(5)    yes
Om29 4_555 Mgp23 . Om29 . 83.47(5)    yes
O10 3_445 Mgp23 . Om29 . 93.51(4)    yes
O11 1_455 Mgp23 . O9 . 94.12(5)    yes
Om211 1_455 Mgp23 . O9 . 94.12(5)    yes
O9 4_555 Mgp23 . O9 . 83.47(5)    yes
Om29 4_555 Mgp23 . O9 . 83.47(5)    yes
O10 3_445 Mgp23 . O9 . 93.51(4)    yes
Om210 3_445 Mgp23 . Om211 2_655 85.40(4)    yes
Om210 3_445 Mgp23 . O11 2_655 85.40(4)    yes
Om210 3_445 Mgp23 . O10 4_655 82.05(5)    yes
Om211 2_655 Mgp23 . O10 4_655 94.35(5)    yes
O11 2_655 Mgp23 . O10 4_655 94.35(5)    yes
Om210 3_445 Mgp23 . Om210 4_655 82.05(5)    yes
Om211 2_655 Mgp23 . Om210 4_655 94.35(5)    yes
O11 2_655 Mgp23 . Om210 4_655 94.35(5)    yes
Om210 3_445 Mgp23 . Om29 . 93.51(4)    yes
Om211 2_655 Mgp23 . Om29 . 178.86(4)    yes
O11 2_655 Mgp23 . Om29 . 178.86(4)    yes
O10 4_655 Mgp23 . Om29 . 85.16(4)    yes
Om210 4_655 Mgp23 . Om29 . 85.16(4)    yes
Om210 3_445 Mgp23 . O9 . 93.51(4)    yes
Om211 2_655 Mgp23 . O9 . 178.86(4)    yes
O11 2_655 Mgp23 . O9 . 178.86(4)    yes
O10 4_655 Mgp23 . O9 . 85.16(4)    yes
Om210 4_655 Mgp23 . O9 . 85.16(4)    yes
O10 4_655 Fep23 . Om211 2_655 94.35(5)    yes
Om210 4_655 Fep23 . Om211 2_655 94.35(5)    yes
O10 4_655 Fep23 . O11 2_655 94.35(5)    yes
Om210 4_655 Fep23 . O11 2_655 94.35(5)    yes
O10 4_655 Fep23 . O10 3_445 82.05(5)    yes
Om210 4_655 Fep23 . O10 3_445 82.05(5)    yes
Om211 2_655 Fep23 . O10 3_445 85.40(4)    yes
O11 2_655 Fep23 . O10 3_445 85.40(4)    yes
O10 4_655 Fep23 . Om210 3_445 82.05(5)    yes
Om210 4_655 Fep23 . Om210 3_445 82.05(5)    yes
Om211 2_655 Fep23 . Om210 3_445 85.40(4)    yes
O11 2_655 Fep23 . Om210 3_445 85.40(4)    yes
O10 4_655 Fep23 . O9 4_555 94.94(5)    yes
Om210 4_655 Fep23 . O9 4_555 94.94(5)    yes
Om211 2_655 Fep23 . O9 4_555 97.59(4)    yes
O11 2_655 Fep23 . O9 4_555 97.59(4)    yes
O10 3_445 Fep23 . O9 4_555 175.93(4)    yes
O10 4_655 Fep23 . Om29 4_555 94.94(5)    yes
Om210 4_655 Fep23 . Om29 4_555 94.94(5)    yes
Om211 2_655 Fep23 . Om29 4_555 97.59(4)    yes
O11 2_655 Fep23 . Om29 4_555 97.59(4)    yes
O10 3_445 Fep23 . Om29 4_555 175.93(4)    yes
O10 4_655 Fep23 . O11 1_455 178.66(4)    yes
Om210 4_655 Fep23 . O11 1_455 178.66(4)    yes
Om211 2_655 Fep23 . O11 1_455 86.39(5)    yes
O11 2_655 Fep23 . O11 1_455 86.39(5)    yes
O10 3_445 Fep23 . O11 1_455 99.12(5)    yes
O10 4_655 Fep23 . Om29 . 85.16(4)    yes
Om210 4_655 Fep23 . Om29 . 85.16(4)    yes
Om211 2_655 Fep23 . Om29 . 178.86(4)    yes
O11 2_655 Fep23 . Om29 . 178.86(4)    yes
O10 3_445 Fep23 . Om29 . 93.51(4)    yes
O10 4_655 Fep23 . O9 . 85.16(4)    yes
Om210 4_655 Fep23 . O9 . 85.16(4)    yes
Om211 2_655 Fep23 . O9 . 178.86(4)    yes
O11 2_655 Fep23 . O9 . 178.86(4)    yes
O10 3_445 Fep23 . O9 . 93.51(4)    yes
Om210 3_445 Fep23 . O9 4_555 175.93(4)    yes
Om210 3_445 Fep23 . Om29 4_555 175.93(4)    yes
Om210 3_445 Fep23 . O11 1_455 99.12(5)    yes
O9 4_555 Fep23 . O11 1_455 83.86(5)    yes
Om29 4_555 Fep23 . O11 1_455 83.86(5)    yes
Om210 3_445 Fep23 . Om29 . 93.51(4)    yes
O9 4_555 Fep23 . Om29 . 83.47(5)    yes
Om29 4_555 Fep23 . Om29 . 83.47(5)    yes
O11 1_455 Fep23 . Om29 . 94.12(5)    yes
Om210 3_445 Fep23 . O9 . 93.51(4)    yes
O9 4_555 Fep23 . O9 . 83.47(5)    yes
Om29 4_555 Fep23 . O9 . 83.47(5)    yes
O11 1_455 Fep23 . O9 . 94.12(5)    yes
Om26 . Sip44 . Om27 . 108.68(8)    yes
O6 . Sip44 . Om27 . 108.68(8)    yes
Om26 . Sip44 . O7 . 108.68(8)    yes
O6 . Sip44 . O7 . 108.68(8)    yes
Om26 . Sip44 . Om28 . 108.44(7)    yes
O6 . Sip44 . Om28 . 108.44(7)    yes
Om27 . Sip44 . Om28 . 108.41(7)    yes
O7 . Sip44 . Om28 . 108.41(7)    yes
Om26 . Sip44 . O8 . 108.44(7)    yes
O6 . Sip44 . O8 . 108.44(7)    yes
Om27 . Sip44 . O8 . 108.41(7)    yes
O7 . Sip44 . O8 . 108.41(7)    yes
Om26 . Sip44 . Om29 . 109.35(7)    yes
O6 . Sip44 . Om29 . 109.35(7)    yes
Om27 . Sip44 . Om29 . 108.98(6)    yes
O7 . Sip44 . Om29 . 108.98(6)    yes
Om28 . Sip44 . Om29 . 112.89(6)    yes
Om26 . Sip44 . O9 . 109.35(7)    yes
O6 . Sip44 . O9 . 109.35(7)    yes
Om27 . Sip44 . O9 . 108.98(6)    yes
O7 . Sip44 . O9 . 108.98(6)    yes
Om28 . Sip44 . O9 . 112.89(6)    yes
O8 . Sip44 . Om29 . 112.89(6)    yes
O8 . Sip44 . O9 . 112.89(6)    yes
Om26 . Si4 . Om27 . 108.68(8)    yes
O6 . Si4 . Om27 . 108.68(8)    yes
Om26 . Si4 . O7 . 108.68(8)    yes
O6 . Si4 . O7 . 108.68(8)    yes
Om26 . Si4 . Om28 . 108.44(7)    yes
O6 . Si4 . Om28 . 108.44(7)    yes
Om27 . Si4 . Om28 . 108.41(7)    yes
O7 . Si4 . Om28 . 108.41(7)    yes
Om26 . Si4 . O8 . 108.44(7)    yes
O6 . Si4 . O8 . 108.44(7)    yes
Om27 . Si4 . O8 . 108.41(7)    yes
O7 . Si4 . O8 . 108.41(7)    yes
Om26 . Si4 . Om29 . 109.35(7)    yes
O6 . Si4 . Om29 . 109.35(7)    yes
Om27 . Si4 . Om29 . 108.98(6)    yes
O7 . Si4 . Om29 . 108.98(6)    yes
Om28 . Si4 . Om29 . 112.89(6)    yes
Om26 . Si4 . O9 . 109.35(7)    yes
O6 . Si4 . O9 . 109.35(7)    yes
Om27 . Si4 . O9 . 108.98(6)    yes
O7 . Si4 . O9 . 108.98(6)    yes
Om28 . Si4 . O9 . 112.89(6)    yes
O8 . Si4 . Om29 . 112.89(6)    yes
O8 . Si4 . O9 . 112.89(6)    yes
O8 3_555 Sip45 . O7 1_655 108.59(7)    yes
Om28 3_555 Sip45 . O7 1_655 108.59(7)    yes
O8 3_555 Sip45 . Om27 1_655 108.59(7)    yes
Om28 3_555 Sip45 . Om27 1_655 108.59(7)    yes
O8 3_555 Sip45 . Om26 . 108.41(7)    yes
Om28 3_555 Sip45 . Om26 . 108.41(7)    yes
O7 1_655 Sip45 . Om26 . 108.20(8)    yes
Om27 1_655 Sip45 . Om26 . 108.20(8)    yes
O8 3_555 Sip45 . O6 . 108.41(7)    yes
Om28 3_555 Sip45 . O6 . 108.41(7)    yes
O7 1_655 Sip45 . O6 . 108.20(8)    yes
Om27 1_655 Sip45 . O6 . 108.20(8)    yes
O8 3_555 Sip45 . Om210 . 108.09(6)    yes
Om28 3_555 Sip45 . Om210 . 108.09(6)    yes
O7 1_655 Sip45 . Om210 . 111.60(6)    yes
Om27 1_655 Sip45 . Om210 . 111.60(6)    yes
Om26 . Sip45 . Om210 . 111.86(6)    yes
O8 3_555 Sip45 . O10 . 108.09(6)    yes
Om28 3_555 Sip45 . O10 . 108.09(6)    yes
O7 1_655 Sip45 . O10 . 111.60(6)    yes
Om27 1_655 Sip45 . O10 . 111.60(6)    yes
Om26 . Sip45 . O10 . 111.86(6)    yes
O6 . Sip45 . Om210 . 111.86(6)    yes
O6 . Sip45 . O10 . 111.86(6)    yes
O8 3_555 Si5 . O7 1_655 108.59(7)    yes
Om28 3_555 Si5 . O7 1_655 108.59(7)    yes
O8 3_555 Si5 . Om27 1_655 108.59(7)    yes
Om28 3_555 Si5 . Om27 1_655 108.59(7)    yes
O8 3_555 Si5 . Om26 . 108.41(7)    yes
Om28 3_555 Si5 . Om26 . 108.41(7)    yes
O7 1_655 Si5 . Om26 . 108.20(8)    yes
Om27 1_655 Si5 . Om26 . 108.20(8)    yes
O8 3_555 Si5 . O6 . 108.41(7)    yes
Om28 3_555 Si5 . O6 . 108.41(7)    yes
O7 1_655 Si5 . O6 . 108.20(8)    yes
Om27 1_655 Si5 . O6 . 108.20(8)    yes
O8 3_555 Si5 . Om210 . 108.09(6)    yes
Om28 3_555 Si5 . Om210 . 108.09(6)    yes
O7 1_655 Si5 . Om210 . 111.60(6)    yes
Om27 1_655 Si5 . Om210 . 111.60(6)    yes
Om26 . Si5 . Om210 . 111.86(6)    yes
O8 3_555 Si5 . O10 . 108.09(6)    yes
Om28 3_555 Si5 . O10 . 108.09(6)    yes
O7 1_655 Si5 . O10 . 111.60(6)    yes
Om27 1_655 Si5 . O10 . 111.60(6)    yes
Om26 . Si5 . O10 . 111.86(6)    yes
O6 . Si5 . Om210 . 111.86(6)    yes
O6 . Si5 . O10 . 111.86(6)    yes
Sip44 . Om26 . Sip45 . 137.78(9)    yes
Si4 . Om26 . Sip45 . 137.78(9)    yes
Sip44 . Om26 . Si5 . 137.78(9)    yes
Si4 . Om26 . Si5 . 137.78(9)    yes
Sip44 . O6 . Sip45 . 137.78(9)    yes
Si4 . O6 . Sip45 . 137.78(9)    yes
Sip44 . O6 . Si5 . 137.78(9)    yes
Si4 . O6 . Si5 . 137.78(9)    yes
Sip44 . Om27 . Sip45 1_455 136.57(9)    yes
Si4 . Om27 . Sip45 1_455 136.57(9)    yes
Sip44 . Om27 . Si5 1_455 136.57(9)    yes
Si4 . Om27 . Si5 1_455 136.57(9)    yes
Sip44 . O7 . Sip45 1_455 136.57(9)    yes
Si4 . O7 . Sip45 1_455 136.57(9)    yes
Sip44 . O7 . Si5 1_455 136.57(9)    yes
Si4 . O7 . Si5 1_455 136.57(9)    yes
Si5 3_445 Om28 . Si4 . 136.61(8)    yes
Sip45 3_445 Om28 . Si4 . 136.61(8)    yes
Si5 3_445 Om28 . Sip44 . 136.61(8)    yes
Sip45 3_445 Om28 . Sip44 . 136.61(8)    yes
Si5 3_445 O8 . Si4 . 136.61(8)    yes
Sip45 3_445 O8 . Si4 . 136.61(8)    yes
Si5 3_445 O8 . Sip44 . 136.61(8)    yes
Sip45 3_445 O8 . Sip44 . 136.61(8)    yes
Fep23 . Om29 . Mgp23 4_555 96.53(5)    yes
Fep23 . Om29 . Fep22 . 94.34(5)    yes
Mgp23 4_555 Om29 . Fep22 . 95.07(5)    yes
Fep23 . Om29 . Mgp22 . 94.34(5)    yes
Mgp23 4_555 Om29 . Mgp22 . 95.07(5)    yes
Fep23 . Om29 . Fep23 4_555 96.53(5)    yes
Fep22 . Om29 . Fep23 4_555 95.07(5)    yes
Mgp22 . Om29 . Fep23 4_555 95.07(5)    yes
Mgp23 4_555 Om29 . Mgp23 . 96.53(5)    yes
Fep22 . Om29 . Mgp23 . 94.34(5)    yes
Mgp22 . Om29 . Mgp23 . 94.34(5)    yes
Fep23 4_555 Om29 . Mgp23 . 96.53(5)    yes
Fep23 . Om29 . Sip44 . 118.39(6)    yes
Mgp23 4_555 Om29 . Sip44 . 124.80(6)    yes
Fep22 . Om29 . Sip44 . 120.87(6)    yes
Mgp22 . Om29 . Sip44 . 120.87(6)    yes
Fep23 4_555 Om29 . Sip44 . 124.80(6)    yes
Fep23 . Om29 . Si4 . 118.39(6)    yes
Mgp23 4_555 Om29 . Si4 . 124.80(6)    yes
Fep22 . Om29 . Si4 . 120.87(6)    yes
Mgp22 . Om29 . Si4 . 120.87(6)    yes
Fep23 4_555 Om29 . Si4 . 124.80(6)    yes
Mgp23 . Om29 . Sip44 . 118.39(6)    yes
Mgp23 . Om29 . Si4 . 118.39(6)    yes
Fep23 . O9 . Mgp23 4_555 96.53(5)    yes
Fep23 . O9 . Fep22 . 94.34(5)    yes
Mgp23 4_555 O9 . Fep22 . 95.07(5)    yes
Fep23 . O9 . Mgp22 . 94.34(5)    yes
Mgp23 4_555 O9 . Mgp22 . 95.07(5)    yes
Fep23 . O9 . Fep23 4_555 96.53(5)    yes
Fep22 . O9 . Fep23 4_555 95.07(5)    yes
Mgp22 . O9 . Fep23 4_555 95.07(5)    yes
Mgp23 4_555 O9 . Mgp23 . 96.53(5)    yes
Fep22 . O9 . Mgp23 . 94.34(5)    yes
Mgp22 . O9 . Mgp23 . 94.34(5)    yes
Fep23 4_555 O9 . Mgp23 . 96.53(5)    yes
Fep23 . O9 . Sip44 . 118.39(6)    yes
Mgp23 4_555 O9 . Sip44 . 124.80(6)    yes
Fep22 . O9 . Sip44 . 120.87(6)    yes
Mgp22 . O9 . Sip44 . 120.87(6)    yes
Fep23 4_555 O9 . Sip44 . 124.80(6)    yes
Fep23 . O9 . Si4 . 118.39(6)    yes
Mgp23 4_555 O9 . Si4 . 124.80(6)    yes
Fep22 . O9 . Si4 . 120.87(6)    yes
Mgp22 . O9 . Si4 . 120.87(6)    yes
Fep23 4_555 O9 . Si4 . 124.80(6)    yes
Mgp23 . O9 . Sip44 . 118.39(6)    yes
Mgp23 . O9 . Si4 . 118.39(6)    yes
Fep22 . Om210 . Mgp23 3_555 93.50(4)    yes
Fep22 . Om210 . Fep23 4_655 94.39(5)    yes
Mgp23 3_555 Om210 . Fep23 4_655 97.95(5)    yes
Fep22 . Om210 . Mgp23 4_655 94.39(5)    yes
Mgp23 3_555 Om210 . Mgp23 4_655 97.95(5)    yes
Fep22 . Om210 . Fep23 3_555 93.50(4)    yes
Fep23 4_655 Om210 . Fep23 3_555 97.95(5)    yes
Mgp23 4_655 Om210 . Fep23 3_555 97.95(5)    yes
Mgp23 3_555 Om210 . Mgp22 . 93.50(4)    yes
Fep23 4_655 Om210 . Mgp22 . 94.39(4)    yes
Mgp23 4_655 Om210 . Mgp22 . 94.39(4)    yes
Fep23 3_555 Om210 . Mgp22 . 93.50(4)    yes
Fep22 . Om210 . Sip45 . 118.16(6)    yes
Mgp23 3_555 Om210 . Sip45 . 124.56(6)    yes
Fep23 4_655 Om210 . Sip45 . 121.22(6)    yes
Mgp23 4_655 Om210 . Sip45 . 121.22(6)    yes
Fep23 3_555 Om210 . Sip45 . 124.56(6)    yes
Fep22 . Om210 . Si5 . 118.16(6)    yes
Mgp23 3_555 Om210 . Si5 . 124.56(6)    yes
Fep23 4_655 Om210 . Si5 . 121.22(6)    yes
Mgp23 4_655 Om210 . Si5 . 121.22(6)    yes
Fep23 3_555 Om210 . Si5 . 124.56(6)    yes
Mgp22 . Om210 . Sip45 . 118.16(6)    yes
Mgp22 . Om210 . Si5 . 118.16(6)    yes
Fep22 . O10 . Mgp23 3_555 93.50(4)    yes
Fep22 . O10 . Fep23 4_655 94.39(5)    yes
Mgp23 3_555 O10 . Fep23 4_655 97.95(5)    yes
Fep22 . O10 . Mgp23 4_655 94.39(5)    yes
Mgp23 3_555 O10 . Mgp23 4_655 97.95(5)    yes
Fep22 . O10 . Fep23 3_555 93.50(4)    yes
Fep23 4_655 O10 . Fep23 3_555 97.95(5)    yes
Mgp23 4_655 O10 . Fep23 3_555 97.95(5)    yes
Mgp23 3_555 O10 . Mgp22 . 93.50(4)    yes
Fep23 4_655 O10 . Mgp22 . 94.39(4)    yes
Mgp23 4_655 O10 . Mgp22 . 94.39(4)    yes
Fep23 3_555 O10 . Mgp22 . 93.50(4)    yes
Fep22 . O10 . Sip45 . 118.16(6)    yes
Mgp23 3_555 O10 . Sip45 . 124.56(6)    yes
Fep23 4_655 O10 . Sip45 . 121.22(6)    yes
Mgp23 4_655 O10 . Sip45 . 121.22(6)    yes
Fep23 3_555 O10 . Sip45 . 124.56(6)    yes
Fep22 . O10 . Si5 . 118.16(6)    yes
Mgp23 3_555 O10 . Si5 . 124.56(6)    yes
Fep23 4_655 O10 . Si5 . 121.22(6)    yes
Mgp23 4_655 O10 . Si5 . 121.22(6)    yes
Fep23 3_555 O10 . Si5 . 124.56(6)    yes
Mgp22 . O10 . Sip45 . 118.16(6)    yes
Mgp22 . O10 . Si5 . 118.16(6)    yes
Mgp22 . Om211 . Mgp23 1_655 99.03(5)    yes
Mgp22 . Om211 . Mgp23 2_655 97.26(5)    yes
Mgp23 1_655 Om211 . Mgp23 2_655 93.61(5)    yes
Mgp22 . Om211 . Fep23 2_655 97.26(5)    yes
Mgp23 1_655 Om211 . Fep23 2_655 93.61(5)    yes
Mgp22 . Om211 . Fep23 1_655 99.03(5)    yes
Mgp23 2_655 Om211 . Fep23 1_655 93.61(5)    yes
Fep23 2_655 Om211 . Fep23 1_655 93.61(5)    yes
Mgp23 1_655 Om211 . Fep22 . 99.03(5)    yes
Mgp23 2_655 Om211 . Fep22 . 97.26(5)    yes
Fep23 2_655 Om211 . Fep22 . 97.26(5)    yes
Fep23 1_655 Om211 . Fep22 . 99.03(5)    yes
Mgp22 . Om211 . H11 . 115.7    no
Mgp23 1_655 Om211 . H11 . 121.4    no
Mgp23 2_655 Om211 . H11 . 124.3    no
Fep23 2_655 Om211 . H11 . 124.3    no
Fep23 1_655 Om211 . H11 . 121.4    no
Fep22 . Om211 . H11 . 115.7    no
Mgp22 . O11 . Mgp23 1_655 99.03(5)    yes
Mgp22 . O11 . Mgp23 2_655 97.26(5)    yes
Mgp23 1_655 O11 . Mgp23 2_655 93.61(5)    yes
Mgp22 . O11 . Fep23 2_655 97.26(5)    yes
Mgp23 1_655 O11 . Fep23 2_655 93.61(5)    yes
Mgp22 . O11 . Fep23 1_655 99.03(5)    yes
Mgp23 2_655 O11 . Fep23 1_655 93.61(5)    yes
Fep23 2_655 O11 . Fep23 1_655 93.61(5)    yes
Mgp23 1_655 O11 . Fep22 . 99.03(5)    yes
Mgp23 2_655 O11 . Fep22 . 97.26(5)    yes
Fep23 2_655 O11 . Fep22 . 97.26(5)    yes
Fep23 1_655 O11 . Fep22 . 99.03(5)    yes
Mgp22 . O11 . H11 . 115.7    no
Mgp23 1_655 O11 . H11 . 121.4    no
Mgp23 2_655 O11 . H11 . 124.3    no
Fep23 2_655 O11 . H11 . 124.3    no
Fep23 1_655 O11 . H11 . 121.4    no
Fep22 . O11 . H11 . 115.7    no


_iucr_refine_instruction_details_constraints
;
#
# Punched on 20/06/11 at 16:23:39
#
#LIST     12                                                                    
FULL 
CONT  KP1(1,OCC) UNTIL FEP2(3) H(11, X'S, OCC) 
CONT KP1(1,Y) 
CONT KP1(1, U[11], U[22], U[33], U[13]) 
RIDE MGP2(2, U'S) FEP2 (2, U'S) 
RIDE MGP2(3, X'S, U'S) FEP2 (3, X'S, U'S) 
RIDE SIP4(4,OCC, X'S,U'S) SI(4,OCC, X'S,U'S) 
WEIGHT -1 SI(4, OCC) 
RIDE SIP4(5,OCC, X'S,U'S) SI(5,OCC, X'S,U'S) 
WEIGHT -1 SI(5, OCC) 
RIDE OM2(6,OCC, X'S,U'S) O(6,OCC, X'S,U'S) 
WEIGHT -1 O(6, OCC) 
RIDE OM2(7,OCC, X'S,U'S) O(7,OCC, X'S,U'S) 
WEIGHT -1 O(7, OCC) 
RIDE OM2(8,OCC, X'S,U'S) O(8,OCC, X'S,U'S) 
WEIGHT -1 O(8, OCC) 
RIDE OM2(9,OCC,X'S,U'S) O(9,OCC, X'S,U'S) 
WEIGHT -1 O(9, OCC) 
RIDE OM2(10,OCC, X'S,U'S) O(10,OCC, X'S,U'S) 
WEIGHT -1 O(10, OCC) 
RIDE OM2(11,OCC) O(11,OCC) 
WEIGHT -1 O(11, OCC) 
RIDE OM2(11, X'S) O(11,X'S) 
RIDE OM2(11, U'S) O(11,U'S) H(11,  U'S) 
END                                                                             
;


_iucr_refine_instruction_details_restraints
;
#
# Punched on 20/06/11 at 16:23:39
#
#LIST     16                                                                    
RESTR 0.5, 0.2 = KP1(1,OCC) 
RESTR .50, .001 =  MGP2(2,OCC)+ FEP2(2,OCC) 
RESTR 1.0,.001 = MGP2(3,OCC)+FEP2(3,OCC) 
REST .6, .01 = H(11, OCC) 
DIST 0.8, .01 = H(11) TO O(11) 
LIMIT  0.01 OCC 
END                                                                             
;
