data_dm-skp-2-2_mo
_audit_creation_date               2022-01-04
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number       '2014/7'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           '0.5(C23 H24 N2 O3)'
_chemical_formula_sum              'C11.50 H12 N O1.50'
_chemical_formula_weight           188.22
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     16.1993(13)
_cell_length_b                     7.6086(5)
_cell_length_c                     16.2787(12)
_cell_angle_alpha                  90
_cell_angle_beta                   105.218(8)
_cell_angle_gamma                  90
_cell_volume                       1936.0(3)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      4165
_cell_measurement_temperature      150
_cell_measurement_theta_max        29.8020
_cell_measurement_theta_min        2.5950
_shelx_estimated_absorpt_T_max     0.994
_shelx_estimated_absorpt_T_min     0.990
_exptl_absorpt_coefficient_mu      0.086
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.22420
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light colourless'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.291
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               800
_exptl_crystal_size_max            0.12
_exptl_crystal_size_mid            0.08
_exptl_crystal_size_min            0.07
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1114
_diffrn_reflns_av_unetI/netI       0.1000
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         19
_diffrn_reflns_limit_h_min         -17
_diffrn_reflns_limit_k_max         9
_diffrn_reflns_limit_k_min         -8
_diffrn_reflns_limit_l_max         19
_diffrn_reflns_limit_l_min         -19
_diffrn_reflns_number              12929
_diffrn_reflns_point_group_measured_fraction_full  0.999
_diffrn_reflns_point_group_measured_fraction_max  0.999
_diffrn_reflns_theta_full          24.999
_diffrn_reflns_theta_max           24.999
_diffrn_reflns_theta_min           2.579
_diffrn_ambient_temperature        150
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
--------------------------------------------------------------------------
  1  \w   -110.00  70.00   1.00    8.00    --  -20.00   0.00-108.00  180
  2  \w    -30.00   0.00   1.00    8.00    --  -20.00  72.00-180.00   30
  3  \w    -71.00 -21.00   1.00    8.00    --  -20.00 -72.00  36.00   50
  4  \w   -110.00   0.00   1.00    8.00    --  -20.00   0.00-180.00  110
;
_diffrn_measurement_device         'abstract diffractometer'
_diffrn_measurement_device_type   
 'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method         '\w scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0103267000
_diffrn_orient_matrix_UB_12        -0.0550037000
_diffrn_orient_matrix_UB_13        0.0310532000
_diffrn_orient_matrix_UB_21        0.0435089000
_diffrn_orient_matrix_UB_22        -0.0255099000
_diffrn_orient_matrix_UB_23        0.0145417000
_diffrn_orient_matrix_UB_31        0.0076383000
_diffrn_orient_matrix_UB_32        0.0708334000
_diffrn_orient_matrix_UB_33        0.0293761000
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'fine-focus sealed X-ray tube'
_diffrn_source_type                'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2205
_reflns_number_total               3406
_reflns_odcompleteness_completeness  90.72
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       31.03
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2\s(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection         'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction          'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.260
_refine_diff_density_min           -0.280
_refine_diff_density_rms           0.072
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.053
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       257
_refine_ls_number_reflns           3406
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.1087
_refine_ls_R_factor_gt             0.0663
_refine_ls_restrained_S_all        1.053
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[\s^2^(Fo^2^)+(0.0640P)^2^+0.7017P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1425
_refine_ls_wR_factor_ref           0.1762
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00K(H00L), C00L(H00M)
2.b Aromatic/amide H refined with riding coordinates:
 C00B(H00D), C00C(H00E), C00D(H00F), C00G(H00G), C00I(H00K), C00M(H00N),
 C00N(H00O), C00O(H00P), C00P(H00Q), C00Q(H00R)
2.c Idealised Me refined as rotating group:
 C00A(H00A,H00B,H00C), C00H(H00H,H00I,H00J), C00R(H00S,H00T,H00U), C00S(H00V,
 H00W,H00X)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
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_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 O001 O 0.42959(15) 0.1679(3) 0.67577(14) 0.0418(6) Uani 1 1 d . . . . .
 O002 O 0.33242(15) 0.1152(3) 0.55935(15) 0.0486(7) Uani 1 1 d . . . . .
 O003 O 0.82190(14) 0.4335(3) 0.20066(13) 0.0358(6) Uani 1 1 d . . . . .
 N004 N 0.81843(15) 0.7166(3) 0.24631(15) 0.0246(6) Uani 1 1 d . . . . .
 N005 N 0.40408(17) 0.1642(3) 0.59766(16) 0.0309(6) Uani 1 1 d . . . . .
 C006 C 0.46397(19) 0.2176(4) 0.54852(18) 0.0259(7) Uani 1 1 d . . . . .
 C007 C 0.78367(17) 0.4124(3) 0.38479(17) 0.0210(6) Uani 1 1 d . . . . .
 C008 C 0.79844(18) 0.5436(4) 0.24535(18) 0.0239(7) Uani 1 1 d . . . . .
 C009 C 0.74429(19) 0.4809(3) 0.30230(17) 0.0234(7) Uani 1 1 d . . . . .
 C00A C 0.8634(2) 0.9236(4) 0.3677(2) 0.0395(9) Uani 1 1 d . . . . .
 H00A H 0.8982 0.8289 0.4000 0.059 Uiso 1 1 calc R U . . .
 H00B H 0.8418 0.9984 0.4064 0.059 Uiso 1 1 calc R U . . .
 H00C H 0.8985 0.9942 0.3394 0.059 Uiso 1 1 calc R U . . .
 C00B C 0.60542(19) 0.4157(4) 0.32337(18) 0.0278(7) Uani 1 1 d . . . . .
 H00D H 0.5450 0.4174 0.3013 0.033 Uiso 1 1 calc R U . . .
 C00C C 0.9123(2) 0.3362(4) 0.49400(19) 0.0298(7) Uani 1 1 d . . . . .
 H00E H 0.9729 0.3373 0.5148 0.036 Uiso 1 1 calc R U . . .
 C00D C 0.65702(19) 0.4781(4) 0.27289(18) 0.0271(7) Uani 1 1 d . . . . .
 H00F H 0.6309 0.5194 0.2170 0.033 Uiso 1 1 calc R U . . .
 C00E C 0.58046(18) 0.3025(4) 0.45643(18) 0.0247(7) Uani 1 1 d . . . . .
 C00F C 0.64040(19) 0.3518(4) 0.40455(18) 0.0247(7) Uani 1 1 d . . . . .
 C00G C 0.86179(19) 0.2596(4) 0.54264(19) 0.0284(7) Uani 1 1 d . . . . .
 H00G H 0.8887 0.2053 0.5954 0.034 Uiso 1 1 calc R U . . .
 C00H C 0.7323(2) 0.9868(4) 0.2486(2) 0.0375(8) Uani 1 1 d . . . . .
 H00H H 0.7662 1.0570 0.2188 0.056 Uiso 1 1 calc R U . . .
 H00I H 0.7098 1.0631 0.2861 0.056 Uiso 1 1 calc R U . . .
 H00J H 0.6847 0.9313 0.2068 0.056 Uiso 1 1 calc R U . . .
 C00I C 0.87397(19) 0.4089(4) 0.41676(19) 0.0269(7) Uani 1 1 d . . . . .
 H00K H 0.9085 0.4583 0.3837 0.032 Uiso 1 1 calc R U . . .
 C00J C 0.73195(18) 0.3426(4) 0.43634(17) 0.0225(7) Uani 1 1 d . . . . .
 C00K C 0.8728(2) 0.7821(4) 0.1925(2) 0.0329(8) Uani 1 1 d . . . . .
 H00L H 0.8807 0.9109 0.2040 0.040 Uiso 1 1 calc R U . . .
 C00L C 0.78871(19) 0.8454(4) 0.30139(18) 0.0260(7) Uani 1 1 d . . . . .
 H00M H 0.7528 0.7796 0.3325 0.031 Uiso 1 1 calc R U . . .
 C00M C 0.44305(19) 0.1805(4) 0.46192(19) 0.0271(7) Uani 1 1 d . . . . .
 H00N H 0.3897 0.1284 0.4343 0.033 Uiso 1 1 calc R U . . .
 C00N C 0.59677(19) 0.3427(4) 0.54308(19) 0.0264(7) Uani 1 1 d . . . . .
 H00O H 0.6484 0.4012 0.5706 0.032 Uiso 1 1 calc R U . . .
 C00O C 0.53966(19) 0.2993(4) 0.58941(19) 0.0276(7) Uani 1 1 d . . . . .
 H00P H 0.5522 0.3252 0.6485 0.033 Uiso 1 1 calc R U . . .
 C00P C 0.50216(19) 0.2214(4) 0.41697(18) 0.0270(7) Uani 1 1 d . . . . .
 H00Q H 0.4895 0.1940 0.3580 0.032 Uiso 1 1 calc R U . . .
 C00Q C 0.77448(19) 0.2623(4) 0.51494(18) 0.0258(7) Uani 1 1 d . . . . .
 H00R H 0.7416 0.2097 0.5488 0.031 Uiso 1 1 calc R U . . .
 C00R C 0.9615(2) 0.7004(5) 0.2173(3) 0.0481(10) Uani 1 1 d . . . . .
 H00S H 0.9871 0.7173 0.2783 0.072 Uiso 1 1 calc R U . . .
 H00T H 0.9975 0.7568 0.1850 0.072 Uiso 1 1 calc R U . . .
 H00U H 0.9572 0.5744 0.2044 0.072 Uiso 1 1 calc R U . . .
 C00S C 0.8282(3) 0.7633(5) 0.0977(2) 0.0472(10) Uani 1 1 d . . . . .
 H00V H 0.8195 0.6385 0.0833 0.071 Uiso 1 1 calc R U . . .
 H00W H 0.8639 0.8162 0.0642 0.071 Uiso 1 1 calc R U . . .
 H00X H 0.7728 0.8232 0.0850 0.071 Uiso 1 1 calc R U . . .

loop_
  _atom_site_aniso_label
  _atom_site_aniso_U_11
  _atom_site_aniso_U_22
  _atom_site_aniso_U_33
  _atom_site_aniso_U_23
  _atom_site_aniso_U_13
  _atom_site_aniso_U_12
 O001 0.0445(15) 0.0522(15) 0.0318(13) 0.0062(12) 0.0157(11) -0.0015(12)
 O002 0.0342(14) 0.0716(18) 0.0426(14) -0.0049(13) 0.0148(12) -0.0157(13)
 O003 0.0522(15) 0.0256(12) 0.0377(13) -0.0057(11) 0.0261(11) -0.0024(10)
 N004 0.0270(14) 0.0253(13) 0.0245(13) -0.0021(11) 0.0118(11) 0.0002(11)
 N005 0.0306(16) 0.0339(15) 0.0295(15) -0.0018(13) 0.0100(13) -0.0001(12)
 C006 0.0275(17) 0.0229(15) 0.0291(16) 0.0030(14) 0.0110(13) 0.0024(13)
 C007 0.0243(16) 0.0158(14) 0.0241(15) -0.0034(13) 0.0085(13) -0.0006(12)
 C008 0.0267(16) 0.0224(16) 0.0229(15) -0.0004(14) 0.0070(13) -0.0014(13)
 C009 0.0334(18) 0.0164(15) 0.0221(15) -0.0017(13) 0.0104(13) -0.0009(12)
 C00A 0.046(2) 0.0389(19) 0.0334(18) -0.0106(17) 0.0093(16) 0.0013(17)
 C00B 0.0238(16) 0.0318(17) 0.0274(16) 0.0024(14) 0.0058(13) -0.0025(13)
 C00C 0.0295(18) 0.0280(17) 0.0302(17) -0.0041(15) 0.0050(14) -0.0036(13)
 C00D 0.0313(18) 0.0270(16) 0.0217(15) 0.0037(14) 0.0046(13) 0.0005(13)
 C00E 0.0251(17) 0.0210(15) 0.0283(16) 0.0031(14) 0.0073(13) -0.0005(12)
 C00F 0.0273(16) 0.0205(15) 0.0273(16) -0.0045(13) 0.0092(13) -0.0024(12)
 C00G 0.0345(19) 0.0244(17) 0.0240(16) 0.0035(14) 0.0038(14) 0.0000(13)
 C00H 0.046(2) 0.0261(17) 0.042(2) 0.0037(16) 0.0145(17) 0.0078(15)
 C00I 0.0281(17) 0.0236(16) 0.0305(17) -0.0005(14) 0.0106(14) -0.0043(13)
 C00J 0.0262(16) 0.0199(15) 0.0217(15) -0.0039(13) 0.0066(13) -0.0015(12)
 C00K 0.045(2) 0.0261(16) 0.0346(18) -0.0032(15) 0.0232(16) -0.0105(15)
 C00L 0.0306(17) 0.0232(15) 0.0273(16) -0.0012(14) 0.0128(14) -0.0008(13)
 C00M 0.0269(17) 0.0246(16) 0.0281(16) 0.0011(14) 0.0038(13) -0.0019(13)
 C00N 0.0258(16) 0.0258(16) 0.0278(16) -0.0035(14) 0.0076(13) -0.0031(13)
 C00O 0.0290(18) 0.0288(17) 0.0254(16) -0.0020(14) 0.0080(14) -0.0018(13)
 C00P 0.0310(18) 0.0262(16) 0.0241(16) 0.0008(14) 0.0077(14) 0.0000(13)
 C00Q 0.0325(18) 0.0226(16) 0.0229(15) 0.0020(13) 0.0083(13) -0.0041(13)
 C00R 0.038(2) 0.048(2) 0.068(3) -0.008(2) 0.0312(19) -0.0083(17)
 C00S 0.076(3) 0.041(2) 0.0333(19) 0.0016(17) 0.030(2) -0.0080(19)

_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 O001 N005 1.230(3) . ?
 O002 N005 1.223(3) . ?
 O003 C008 1.233(3) . ?
 N004 C008 1.355(4) . ?
 N004 C00K 1.482(4) . ?
 N004 C00L 1.491(4) . ?
 N005 C006 1.468(4) . ?
 C006 C00M 1.390(4) . ?
 C006 C00O 1.380(4) . ?
 C007 C009 1.425(4) . ?
 C007 C00I 1.418(4) . ?
 C007 C00J 1.434(4) . ?
 C008 C009 1.511(4) . ?
 C009 C00D 1.369(4) . ?
 C00A H00A 0.9800 . ?
 C00A H00B 0.9800 . ?
 C00A H00C 0.9800 . ?
 C00A C00L 1.516(4) . ?
 C00B H00D 0.9500 . ?
 C00B C00D 1.400(4) . ?
 C00B C00F 1.382(4) . ?
 C00C H00E 0.9500 . ?
 C00C C00G 1.406(4) . ?
 C00C C00I 1.365(4) . ?
 C00D H00F 0.9500 . ?
 C00E C00F 1.493(4) . ?
 C00E C00N 1.399(4) . ?
 C00E C00P 1.405(4) . ?
 C00F C00J 1.439(4) . ?
 C00G H00G 0.9500 . ?
 C00G C00Q 1.367(4) . ?
 C00H H00H 0.9800 . ?
 C00H H00I 0.9800 . ?
 C00H H00J 0.9800 . ?
 C00H C00L 1.523(4) . ?
 C00I H00K 0.9500 . ?
 C00J C00Q 1.422(4) . ?
 C00K H00L 1.0000 . ?
 C00K C00R 1.521(5) . ?
 C00K C00S 1.528(4) . ?
 C00L H00M 1.0000 . ?
 C00M H00N 0.9500 . ?
 C00M C00P 1.384(4) . ?
 C00N H00O 0.9500 . ?
 C00N C00O 1.378(4) . ?
 C00O H00P 0.9500 . ?
 C00P H00Q 0.9500 . ?
 C00Q H00R 0.9500 . ?
 C00R H00S 0.9800 . ?
 C00R H00T 0.9800 . ?
 C00R H00U 0.9800 . ?
 C00S H00V 0.9800 . ?
 C00S H00W 0.9800 . ?
 C00S H00X 0.9800 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C008 N004 C00K 119.8(2) . . ?
 C008 N004 C00L 122.1(2) . . ?
 C00K N004 C00L 118.0(2) . . ?
 O001 N005 C006 117.8(2) . . ?
 O002 N005 O001 123.4(3) . . ?
 O002 N005 C006 118.8(2) . . ?
 C00M C006 N005 118.5(3) . . ?
 C00O C006 N005 119.5(3) . . ?
 C00O C006 C00M 122.0(3) . . ?
 C009 C007 C00J 120.1(2) . . ?
 C00I C007 C009 121.1(3) . . ?
 C00I C007 C00J 118.9(3) . . ?
 O003 C008 N004 123.8(3) . . ?
 O003 C008 C009 117.8(2) . . ?
 N004 C008 C009 118.4(2) . . ?
 C007 C009 C008 120.3(3) . . ?
 C00D C009 C007 119.3(3) . . ?
 C00D C009 C008 120.2(3) . . ?
 H00A C00A H00B 109.5 . . ?
 H00A C00A H00C 109.5 . . ?
 H00B C00A H00C 109.5 . . ?
 C00L C00A H00A 109.5 . . ?
 C00L C00A H00B 109.5 . . ?
 C00L C00A H00C 109.5 . . ?
 C00D C00B H00D 119.3 . . ?
 C00F C00B H00D 119.3 . . ?
 C00F C00B C00D 121.5(3) . . ?
 C00G C00C H00E 120.2 . . ?
 C00I C00C H00E 120.2 . . ?
 C00I C00C C00G 119.7(3) . . ?
 C009 C00D C00B 121.4(3) . . ?
 C009 C00D H00F 119.3 . . ?
 C00B C00D H00F 119.3 . . ?
 C00N C00E C00F 122.5(3) . . ?
 C00N C00E C00P 117.8(3) . . ?
 C00P C00E C00F 119.7(3) . . ?
 C00B C00F C00E 117.7(3) . . ?
 C00B C00F C00J 119.1(3) . . ?
 C00J C00F C00E 123.1(3) . . ?
 C00C C00G H00G 119.6 . . ?
 C00Q C00G C00C 120.8(3) . . ?
 C00Q C00G H00G 119.6 . . ?
 H00H C00H H00I 109.5 . . ?
 H00H C00H H00J 109.5 . . ?
 H00I C00H H00J 109.5 . . ?
 C00L C00H H00H 109.5 . . ?
 C00L C00H H00I 109.5 . . ?
 C00L C00H H00J 109.5 . . ?
 C007 C00I H00K 119.3 . . ?
 C00C C00I C007 121.5(3) . . ?
 C00C C00I H00K 119.3 . . ?
 C007 C00J C00F 118.5(2) . . ?
 C00Q C00J C007 117.8(3) . . ?
 C00Q C00J C00F 123.7(3) . . ?
 N004 C00K H00L 106.6 . . ?
 N004 C00K C00R 111.9(3) . . ?
 N004 C00K C00S 111.7(3) . . ?
 C00R C00K H00L 106.6 . . ?
 C00R C00K C00S 113.1(3) . . ?
 C00S C00K H00L 106.6 . . ?
 N004 C00L C00A 111.3(2) . . ?
 N004 C00L C00H 111.4(2) . . ?
 N004 C00L H00M 107.3 . . ?
 C00A C00L C00H 111.9(3) . . ?
 C00A C00L H00M 107.3 . . ?
 C00H C00L H00M 107.3 . . ?
 C006 C00M H00N 120.9 . . ?
 C00P C00M C006 118.2(3) . . ?
 C00P C00M H00N 120.9 . . ?
 C00E C00N H00O 119.2 . . ?
 C00O C00N C00E 121.5(3) . . ?
 C00O C00N H00O 119.2 . . ?
 C006 C00O H00P 120.6 . . ?
 C00N C00O C006 118.9(3) . . ?
 C00N C00O H00P 120.6 . . ?
 C00E C00P H00Q 119.2 . . ?
 C00M C00P C00E 121.6(3) . . ?
 C00M C00P H00Q 119.2 . . ?
 C00G C00Q C00J 121.2(3) . . ?
 C00G C00Q H00R 119.4 . . ?
 C00J C00Q H00R 119.4 . . ?
 C00K C00R H00S 109.5 . . ?
 C00K C00R H00T 109.5 . . ?
 C00K C00R H00U 109.5 . . ?
 H00S C00R H00T 109.5 . . ?
 H00S C00R H00U 109.5 . . ?
 H00T C00R H00U 109.5 . . ?
 C00K C00S H00V 109.5 . . ?
 C00K C00S H00W 109.5 . . ?
 C00K C00S H00X 109.5 . . ?
 H00V C00S H00W 109.5 . . ?
 H00V C00S H00X 109.5 . . ?
 H00W C00S H00X 109.5 . . ?

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_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 O001 N005 C006 C00M 166.9(3) . . . . ?
 O001 N005 C006 C00O -11.7(4) . . . . ?
 O002 N005 C006 C00M -11.6(4) . . . . ?
 O002 N005 C006 C00O 169.7(3) . . . . ?
 O003 C008 C009 C007 85.6(3) . . . . ?
 O003 C008 C009 C00D -89.9(3) . . . . ?
 N004 C008 C009 C007 -94.4(3) . . . . ?
 N004 C008 C009 C00D 90.1(3) . . . . ?
 N005 C006 C00M C00P -176.1(2) . . . . ?
 N005 C006 C00O C00N 177.5(3) . . . . ?
 C006 C00M C00P C00E -1.6(4) . . . . ?
 C007 C009 C00D C00B 2.5(4) . . . . ?
 C007 C00J C00Q C00G 3.3(4) . . . . ?
 C008 N004 C00K C00R -62.4(3) . . . . ?
 C008 N004 C00K C00S 65.5(4) . . . . ?
 C008 N004 C00L C00A 115.6(3) . . . . ?
 C008 N004 C00L C00H -118.8(3) . . . . ?
 C008 C009 C00D C00B 178.1(3) . . . . ?
 C009 C007 C00I C00C -176.9(3) . . . . ?
 C009 C007 C00J C00F -3.1(4) . . . . ?
 C009 C007 C00J C00Q 174.7(2) . . . . ?
 C00B C00F C00J C007 4.6(4) . . . . ?
 C00B C00F C00J C00Q -173.1(3) . . . . ?
 C00C C00G C00Q C00J -0.1(4) . . . . ?
 C00D C00B C00F C00E 174.9(3) . . . . ?
 C00D C00B C00F C00J -2.6(4) . . . . ?
 C00E C00F C00J C007 -172.8(2) . . . . ?
 C00E C00F C00J C00Q 9.5(4) . . . . ?
 C00E C00N C00O C006 -1.4(4) . . . . ?
 C00F C00B C00D C009 -1.0(4) . . . . ?
 C00F C00E C00N C00O 178.6(3) . . . . ?
 C00F C00E C00P C00M -177.1(3) . . . . ?
 C00F C00J C00Q C00G -179.0(3) . . . . ?
 C00G C00C C00I C007 1.3(4) . . . . ?
 C00I C007 C009 C008 2.9(4) . . . . ?
 C00I C007 C009 C00D 178.4(3) . . . . ?
 C00I C007 C00J C00F 178.0(2) . . . . ?
 C00I C007 C00J C00Q -4.1(4) . . . . ?
 C00I C00C C00G C00Q -2.3(4) . . . . ?
 C00J C007 C009 C008 -175.9(2) . . . . ?
 C00J C007 C009 C00D -0.4(4) . . . . ?
 C00J C007 C00I C00C 2.0(4) . . . . ?
 C00K N004 C008 O003 -1.1(4) . . . . ?
 C00K N004 C008 C009 178.9(3) . . . . ?
 C00K N004 C00L C00A -63.4(3) . . . . ?
 C00K N004 C00L C00H 62.3(3) . . . . ?
 C00L N004 C008 O003 -180.0(3) . . . . ?
 C00L N004 C008 C009 -0.1(4) . . . . ?
 C00L N004 C00K C00R 116.5(3) . . . . ?
 C00L N004 C00K C00S -115.5(3) . . . . ?
 C00M C006 C00O C00N -1.1(4) . . . . ?
 C00N C00E C00F C00B -138.4(3) . . . . ?
 C00N C00E C00F C00J 39.0(4) . . . . ?
 C00N C00E C00P C00M -0.6(4) . . . . ?
 C00O C006 C00M C00P 2.5(4) . . . . ?
 C00P C00E C00F C00B 37.9(4) . . . . ?
 C00P C00E C00F C00J -144.7(3) . . . . ?
 C00P C00E C00N C00O 2.2(4) . . . . ?

_shelx_res_file
;
    dm-skp-2-2_mo.res created by SHELXL-2014/7

TITL dm-skp-2-2_mo_a.res in P2(1)/c
REM Old TITL dm-skp-2-2_mo_a.res in P2(1)/c
REM SHELXT solution in P2(1)/c
REM R1 0.239, Rweak 0.019, Alpha 0.045, Orientation as input
REM Formula found by SHELXT: C24 N O3
CELL 0.71073 16.19934 7.608561 16.27865 90 105.218 90
ZERR 8 0.001315 0.000516 0.001231 0 0.0082 0
LATT 1
SYMM -X,0.5+Y,0.5-Z
SFAC C H N O
UNIT 92 96 8 12

L.S. 4
PLAN  5
SIZE 0.07 0.08 0.12
TEMP -123.15
CONF
BOND $H
list 4
fmap 2
acta
MORE -1
OMIT -3 50
OMIT -1 1 1
REM <olex2.extras>
REM <HklSrc "%.\\DM-SKP-2-2_Mo.hkl">
REM </olex2.extras>

WGHT    0.064000    0.701700
FVAR       2.53792
O001  4    0.429593    0.167908    0.675770    11.00000    0.04449    0.05222 =
         0.03176    0.00624    0.01569   -0.00155
O002  4    0.332420    0.115151    0.559354    11.00000    0.03424    0.07165 =
         0.04265   -0.00487    0.01483   -0.01571
O003  4    0.821903    0.433520    0.200664    11.00000    0.05216    0.02556 =
         0.03770   -0.00575    0.02610   -0.00243
N004  3    0.818430    0.716562    0.246309    11.00000    0.02697    0.02527 =
         0.02455   -0.00213    0.01184    0.00020
N005  3    0.404079    0.164202    0.597656    11.00000    0.03058    0.03386 =
         0.02947   -0.00177    0.00999   -0.00009
C006  1    0.463970    0.217625    0.548518    11.00000    0.02750    0.02290 =
         0.02915    0.00300    0.01096    0.00239
C007  1    0.783666    0.412404    0.384788    11.00000    0.02429    0.01581 =
         0.02410   -0.00340    0.00848   -0.00058
C008  1    0.798437    0.543580    0.245353    11.00000    0.02670    0.02245 =
         0.02290   -0.00045    0.00702   -0.00138
C009  1    0.744293    0.480859    0.302296    11.00000    0.03341    0.01638 =
         0.02209   -0.00174    0.01039   -0.00093
C00A  1    0.863409    0.923644    0.367660    11.00000    0.04568    0.03891 =
         0.03341   -0.01055    0.00926    0.00132
AFIX 137
H00A  2    0.898245    0.828851    0.400046    11.00000   -1.50000
H00B  2    0.841827    0.998446    0.406434    11.00000   -1.50000
H00C  2    0.898457    0.994217    0.339351    11.00000   -1.50000
AFIX   0
C00B  1    0.605419    0.415728    0.323365    11.00000    0.02382    0.03177 =
         0.02738    0.00239    0.00583   -0.00250
AFIX  43
H00D  2    0.544999    0.417366    0.301332    11.00000   -1.20000
AFIX   0
C00C  1    0.912324    0.336176    0.493996    11.00000    0.02950    0.02796 =
         0.03019   -0.00406    0.00498   -0.00356
AFIX  43
H00E  2    0.972876    0.337272    0.514784    11.00000   -1.20000
AFIX   0
C00D  1    0.657020    0.478091    0.272892    11.00000    0.03129    0.02701 =
         0.02171    0.00369    0.00459    0.00052
AFIX  43
H00F  2    0.630901    0.519373    0.217034    11.00000   -1.20000
AFIX   0
C00E  1    0.580456    0.302472    0.456433    11.00000    0.02506    0.02096 =
         0.02825    0.00314    0.00730   -0.00049
C00F  1    0.640404    0.351811    0.404553    11.00000    0.02732    0.02049 =
         0.02734   -0.00447    0.00921   -0.00237
C00G  1    0.861788    0.259613    0.542643    11.00000    0.03450    0.02445 =
         0.02399    0.00345    0.00384    0.00001
AFIX  43
H00G  2    0.888653    0.205292    0.595439    11.00000   -1.20000
AFIX   0
C00H  1    0.732333    0.986797    0.248572    11.00000    0.04557    0.02612 =
         0.04237    0.00369    0.01449    0.00777
AFIX 137
H00H  2    0.766211    1.056980    0.218822    11.00000   -1.50000
H00I  2    0.709797    1.063149    0.286073    11.00000   -1.50000
H00J  2    0.684704    0.931263    0.206825    11.00000   -1.50000
AFIX   0
C00I  1    0.873966    0.408917    0.416763    11.00000    0.02814    0.02357 =
         0.03051   -0.00047    0.01062   -0.00435
AFIX  43
H00K  2    0.908517    0.458305    0.383691    11.00000   -1.20000
AFIX   0
C00J  1    0.731955    0.342559    0.436340    11.00000    0.02615    0.01992 =
         0.02168   -0.00386    0.00656   -0.00150
C00K  1    0.872755    0.782051    0.192472    11.00000    0.04521    0.02609 =
         0.03463   -0.00322    0.02315   -0.01048
AFIX  13
H00L  2    0.880676    0.910874    0.204050    11.00000   -1.20000
AFIX   0
C00L  1    0.788708    0.845419    0.301390    11.00000    0.03058    0.02323 =
         0.02725   -0.00117    0.01283   -0.00080
AFIX  13
H00M  2    0.752827    0.779592    0.332514    11.00000   -1.20000
AFIX   0
C00M  1    0.443053    0.180479    0.461916    11.00000    0.02685    0.02463 =
         0.02806    0.00115    0.00384   -0.00192
AFIX  43
H00N  2    0.389669    0.128441    0.434317    11.00000   -1.20000
AFIX   0
C00N  1    0.596770    0.342674    0.543077    11.00000    0.02580    0.02585 =
         0.02784   -0.00352    0.00760   -0.00310
AFIX  43
H00O  2    0.648409    0.401242    0.570625    11.00000   -1.20000
AFIX   0
C00O  1    0.539656    0.299278    0.589409    11.00000    0.02899    0.02875 =
         0.02544   -0.00197    0.00797   -0.00175
AFIX  43
H00P  2    0.552194    0.325152    0.648492    11.00000   -1.20000
AFIX   0
C00P  1    0.502159    0.221402    0.416972    11.00000    0.03098    0.02615 =
         0.02411    0.00083    0.00766    0.00000
AFIX  43
H00Q  2    0.489473    0.194011    0.358039    11.00000   -1.20000
AFIX   0
C00Q  1    0.774480    0.262339    0.514939    11.00000    0.03247    0.02257 =
         0.02292    0.00203    0.00826   -0.00409
AFIX  43
H00R  2    0.741624    0.209660    0.548832    11.00000   -1.20000
AFIX   0
C00R  1    0.961538    0.700385    0.217260    11.00000    0.03824    0.04759 =
         0.06811   -0.00844    0.03121   -0.00829
AFIX 137
H00S  2    0.987072    0.717336    0.278338    11.00000   -1.50000
H00T  2    0.997550    0.756817    0.185040    11.00000   -1.50000
H00U  2    0.957206    0.574375    0.204375    11.00000   -1.50000
AFIX   0
C00S  1    0.828249    0.763319    0.097735    11.00000    0.07645    0.04064 =
         0.03332    0.00157    0.02997   -0.00801
AFIX 137
H00V  2    0.819497    0.638475    0.083253    11.00000   -1.50000
H00W  2    0.863924    0.816234    0.064170    11.00000   -1.50000
H00X  2    0.772781    0.823233    0.085020    11.00000   -1.50000
AFIX   0
HKLF 4

REM  dm-skp-2-2_mo_a.res in P2(1)/c
REM R1 =  0.0663 for    2205 Fo > 4sig(Fo)  and  0.1087 for all    3406 data
REM    257 parameters refined using      0 restraints

END

WGHT      0.0640      0.7001

REM Highest difference peak  0.260,  deepest hole -0.280,  1-sigma level  0.072
Q1    1   0.3779  0.2019  0.5189  11.00000  0.05    0.26
Q2    1   0.9441  0.4199  0.1844  11.00000  0.05    0.25
Q3    1   1.0226  0.7964  0.2595  11.00000  0.05    0.25
Q4    1   0.8053  1.0007  0.4058  11.00000  0.05    0.24
Q5    1   0.4043  0.0208  0.7069  11.00000  0.05    0.24
;
_shelx_res_checksum                35821
_shelx_hkl_file
;
   0   0   2 3.78833 6.32562   1
   0   0  -2-14.0504 13.8539   4
   0   0   2-12.5963 2.67967   4
   0   0  -2-7.05234 18.3663   1
   0   0   2-18.0314 24.8137   3
   0   0  -2-5.01756 13.6470   3
   0   0   3 28.7333 13.2669   4
   0   0   3-11.2125 27.5597   1
   0   0  -3 30.5444 35.8598   1
   0   0  -3 2.32683 22.6188   3
   0   0  -3 34.8660 51.5329   4
   0   0  -4 21544.7 880.228   4
   0   0   4 21597.9 870.746   4
   0   0  -4 19736.9 742.333   3
   0   0  -4 20840.1 809.393   1
   0   0   4 19655.9 801.790   1
   0   0  -5 107.115 83.7152   4
   0   0  -5-34.7879 51.3924   1
   0   0   5 43.1258 18.8471   1
   0   0   5-14.3805 67.8310   4
   0   0  -5 98.9476 68.0880   3
   0   0  -6 52675.7 1589.56   1
   0   0  -6 57197.9 1752.67   4
   0   0   6 56849.1 1668.17   1
   0   0  -6 53007.2 1509.75   3
   0   0   6 54226.9 1688.59   4
   0   0  -7-36.6151 38.8307   4
   0   0   7 12.5411 42.5096   1
   0   0  -7 7.10510 49.5033   1
   0   0   7-4.78717 46.5115   4
   0   0  -7 18.5836 22.9467   3
   0   0  -8 24084.0 1225.97   1
   0   0   8 26342.3 1412.61   1
   0   0   8 23028.4 1249.27   4
   0   0  -8 25717.5 1232.26   3
   0   0   9-58.1838 63.5136   1
   0   0   9 48.2893 61.0696   4
   0   0  -9 10.3573 39.6261   3
   0   0  -9 41.0186 10.4949   1
   0   0  -9-5.68204 69.4426   4
   0   0 -10 1724.42 357.740   1
   0   0  10 1852.16 408.708   4
   0   0 -10 2339.37 398.444   3
   0   0  11 46.5439 55.8023   4
   0   0 -11 81.0788 119.198   3
   0   0 -11-43.9642 92.9355   1
   0   0 -12 185.860 146.055   3
   0   0  12-0.74975 98.0052   4
   0   0 -12-32.7574 117.651   1
   0   0 -13-12.2336 53.4912   1
   0   0  13-19.1650 50.8984   4
   0   0 -14 4384.46 685.856   3
   0   0  14 4061.57 652.414   4
   0   0 -14 4900.21 748.617   1
   0   0 -15 135.728 180.225   3
   0   0 -15 28.3673 112.655   1
   0   0  15-52.4019 46.3231   4
   0   0 -16 869.706 328.749   3
   0   0 -16 585.253 287.337   1
   0   0  16 506.154 255.486   4
   0   0 -17 159.699 123.602   1
   0   0  17 126.168 81.3982   4
   0   0 -17 118.973 90.7545   3
   0   0 -18 648.125 318.725   1
   0   0 -18 673.686 314.290   3
   0   0  18 927.420 336.816   4
   0   0  19 134.999 83.1618   4
   0   0 -19 237.051 244.302   3
   0   0 -19-50.7291 32.6759   1
   0   0 -20 2866.92 648.127   3
   0   0 -21 48.6790 152.792   3
   0   1   0-15.4494 16.9225   1
   0  -1   0-16.2994 19.4109   1
   0  -1   0 17.4040 16.0201   4
   0   1   0 5.37564 16.8481   4
   0  -1  -1 5102.01 258.623   2
   0   1  -1 29.2936 27.8541   1
   0   1  -1 5127.97 356.983   4
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   3 -10   8 62.4694 276.615   4
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   4   7   3 86.5025 60.7661   1
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   4   8  -6 475.997 255.105   1
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   4   8  -5 249.640 193.139   1
   4   8  -4-40.8187 144.787   1
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   4   8  -1 72.5178 52.8470   1
   4  -8   0 47.3840 82.8418   4
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   4   8   0-98.9185 124.951   1
   4  -8   1 2079.77 537.012   4
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   4  -8   2 156.248 165.820   4
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   4   8   2 640.902 302.334   2
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   4   8   3 600.945 282.610   2
   4  -8   4 169.293 234.464   4
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   4   8   4 211.496 156.930   2
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   7   0   2 21571.9 1088.10   1
   7   0   2 21388.8 1136.65   4
   7   0   3 22.8942 71.1374   1
   7   0   3 40.1014 80.8569   4
   7   0   4 7249.52 728.352   4
   7   0   4 6736.80 659.039   1
   7   0   5-46.8940 55.9300   1
   7   0   5 47.5607 94.2848   4
   7   0   6 114.569 69.9965   1
   7   0   6 78.9791 83.3566   4
   7   0   7 59.2137 155.162   1
   7   0   7 1.82379 122.490   4
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   7   0   8 32767.7 2111.72   4
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   7  -1 -22 702.889 358.405   3
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   7   3   7 2257.23 345.081   1
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   7  -5  -3 5235.62 804.480   4
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   7   5   5 1815.80 300.811   4
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   7   6  -5 1185.33 389.149   1
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   7  -7  -5 84.8550 64.0258   4
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   7  -7  -4 1717.30 481.528   4
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   7  -7  -2 9.11455 76.7722   4
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   7   7   2-37.0544 53.2013   2
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   7   7   3 2676.41 553.066   2
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   7  -7   6-140.350 204.873   4
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   7  -7   8 1088.23 704.596   4
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   7  -7   9 322.430 384.373   4
   7  -7  10 374.534 278.562   4
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   7  -7  11 606.145 431.129   4
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   7  -7  12 234.833 296.954   4
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   7   8 -14-104.418 240.232   1
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   7   8  -8 71.2824 101.298   1
   7   8  -7 1227.46 424.007   1
   7   8  -6 168.429 225.642   1
   7   8  -5 88.4802 166.952   2
   7   8  -5 258.670 238.147   1
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   7   8  -4 7.03470 76.1089   1
   7  -8  -3 32.4168 41.9735   4
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   7   8  -3 31.8016 39.5989   1
   7   8  -2-57.0035 61.1856   1
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   7  -8  -2 217.859 221.959   4
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   7   8  -2 548.783 360.497   2
   7   8  -1 107.647 169.149   1
   7  -8  -1 182.784 194.905   4
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   7   8  -1-67.6268 111.729   2
   7  -8   0 490.590 324.401   4
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   7   8   0 231.866 175.289   2
   7  -8   1 564.066 311.767   4
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   7   8   1 1211.45 396.546   2
   7  -8   2 1074.32 436.814   4
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   7   8   2 1215.07 383.363   2
   7  -8   3 181.323 305.540   4
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   7   8   3 582.040 272.337   2
   7  -8   4 273.097 314.461   4
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   7  -8   5 28.6210 294.968   4
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   7  -8   8 70.4699 111.128   4
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   7  -8   9 510.551 516.774   4
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   7   9  -4 137.486 89.9721   1
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   7   9  -1 349.128 232.650   2
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   7   9   0 414.454 251.532   2
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   7   9   2-106.047 140.875   2
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   7   9   3 534.027 250.103   2
   7  -9   4 204.682 295.553   4
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   8   0  -5 8.89318 22.4650   2
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   8   0   5 58.1222 20.8957   4
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   8   1 -21 881.471 350.733   1
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   8   1 -20 48.0113 120.402   1
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   8   1 -19 24.0934 65.8423   1
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   8   1 -17 171.856 196.452   1
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   8   1 -16-7.21861 49.1360   1
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   8  -1 -14-30.0657 8.01595   1
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   8   1 -13 3840.27 650.072   1
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   8   1 -12 11909.5 1111.62   1
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   8   1 -11 747.028 285.392   1
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   8   1 -10 118.967 66.6814   1
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   8   1  -9 9094.22 884.589   1
   8  -1  -9 9713.73 798.919   1
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   8   1  -8 5881.09 694.893   1
   8  -1  -8 5486.95 584.855   1
   8   1  -7 82.8727 85.5992   1
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   8  -1  -7 135.642 79.3186   1
   8  -1  -7 202.874 51.6329   2
   8   1  -6 318.989 154.368   1
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   8  -1  -6 182.852 118.603   1
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   8   1  -5 5472.34 592.216   1
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   8   1  -4 14838.7 960.386   1
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   8  -1  -4 14557.9 864.968   1
   8  -1  -3 2260.36 340.564   1
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   8  -1  -2 989.160 233.623   1
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   8   1  -2 1110.71 196.565   2
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   8  -1   2 9592.90 852.699   4
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   8  -1   3 2291.34 416.671   1
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   8  -1   3 2428.43 448.701   4
   8  -1   4-0.63173 9.76600   1
   8   1   4 221.285 156.216   4
   8  -1   4 271.075 174.486   4
   8   1   4 65.1215 95.8897   1
   8  -1   5 2410.43 443.373   1
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   8   1   5 2368.43 412.142   1
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   8   1   6 477.362 181.836   1
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   8  -1   6 136.454 96.2824   1
   8   1   6 433.193 204.448   4
   8  -1   6 700.644 325.449   4
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   8   1   7 17059.1 1171.65   4
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   8   1   7 16176.0 1096.89   1
   8   1   8 17201.0 1227.56   1
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   8   1   8 19201.9 1486.03   4
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   8   1   9 1392.24 390.980   4
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   8   2  -8 1988.12 433.239   1
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   8   2  -7 7377.16 791.690   1
   8  -2  -7 5441.20 537.279   1
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   8  -2  -6 226.888 110.381   1
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   8  -2  -5 895.828 216.312   1
   8   2  -4 31.8160 61.7358   1
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   8  -2  -1 2189.51 384.646   1
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   8  -2   3 88.3711 106.781   1
   8   2   3 291.113 143.208   4
   8  -2   3 103.755 52.4703   4
   8  -2   4 448.397 205.677   1
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   8   2   4 405.254 158.059   1
   8   2   4 353.482 200.084   4
   8  -2   4 166.749 182.733   4
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   8  -2   6 129.030 160.587   4
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   8   2   8 237.094 110.478   1
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   8   2   9 1901.27 507.895   4
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   8  -2   9 2251.98 700.656   4
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   8  -2  12 180.731 385.431   4
   8   2  12 20.4002 83.6137   4
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   8   2  13 152.552 110.574   4
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   8  -2  13-220.770 351.217   4
   8  -2  14 307.482 412.190   4
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   8  -2  15 411.496 405.734   4
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   8  -2  16 235.455 314.569   4
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   8  -2  17 322.562 422.801   4
   8  -2  18-47.4184 243.716   4
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   8   3 -22 654.837 389.912   1
   8   3 -21-9.49124 59.9004   1
   8   3 -20 252.208 244.087   1
   8   3 -19 187.286 116.622   1
   8   3 -18 285.770 276.719   1
   8  -3 -17 1103.46 339.137   3
   8   3 -17 1527.46 486.407   1
   8  -3 -16-19.4051 43.2642   3
   8   3 -16 105.425 166.902   1
   8  -3 -15 392.964 177.745   3
   8  -3 -15 283.498 131.948   1
   8   3 -15 556.732 288.171   1
   8  -3 -14 74.4091 19.2137   3
   8   3 -14 93.9080 178.371   1
   8  -3 -14 144.837 89.6329   1
   8   3 -13 2272.62 546.888   1
   8  -3 -13 2481.85 406.157   3
   8  -3 -13 2056.95 336.139   1
   8  -3 -12 1079.69 240.608   3
   8  -3 -12 797.236 213.078   1
   8   3 -12 887.078 335.855   1
   8   3 -11 2116.48 525.992   1
   8  -3 -11 1878.26 279.525   3
   8  -3 -11 2661.42 379.738   1
   8   3 -10 1998.69 489.002   1
   8  -3 -10 1466.51 216.511   3
   8  -3 -10 1785.55 315.218   1
   8  -3  -9 495.193 162.662   1
   8   3  -9 685.232 286.590   1
   8  -3  -8 639.913 191.602   1
   8   3  -8 362.315 213.365   1
   8  -3  -7 821.499 229.007   1
   8   3  -7 1108.60 327.426   1
   8  -3  -6 3857.24 475.175   1
   8   3  -6 3338.78 553.960   1
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   8   3  -5 8124.37 830.927   1
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   8   3  -4 465.884 205.185   1
   8  -3  -4 392.187 170.751   1
   8  -3  -4 385.965 166.826   4
   8  -3  -3 2456.29 432.255   4
   8   3  -3 3737.25 519.472   1
   8  -3  -3 3226.03 476.438   1
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   8   3  -2 4473.46 540.483   1
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   8  -3  -1 8790.97 874.514   4
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   8   3   0 1176.60 257.906   1
   8  -3   1 359.918 173.291   1
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   8  -3   2-30.2873 31.0241   1
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   8   3   2-39.4155 19.8693   1
   8  -3   2 62.0036 72.6448   4
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   8  -3   3 1820.11 424.753   1
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   8   3   4 1341.65 290.781   4
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   8   3   5 2267.17 388.414   4
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   8   3   6 3399.97 460.813   1
   8  -3   6 2895.90 710.457   4
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   8   3   6 2791.18 442.427   4
   8  -3   7 168.985 170.524   4
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   8   3   7 257.721 136.787   4
   8   3   7 41.5597 91.5391   1
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   8   3   8 177.420 103.499   4
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   8   4 -19 438.464 295.526   1
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   8   4 -13 10.8902 151.390   1
   8  -4 -12 83.3969 82.0241   1
   8  -4 -12 141.855 97.9113   3
   8   4 -12 13.7098 33.0419   1
   8   4 -11 4706.64 768.078   1
   8  -4 -11 4652.55 512.883   1
   8  -4 -11 4149.96 397.248   3
   8  -4 -11 4717.82 534.270   4
   8  -4 -10 269.501 90.9448   3
   8  -4 -10 384.932 162.482   1
   8   4 -10 411.931 206.811   1
   8  -4 -10 176.627 90.8563   4
   8  -4  -9 186.976 61.4619   3
   8  -4  -9 217.267 120.823   1
   8   4  -9 283.297 227.338   1
   8  -4  -9 464.701 174.733   4
   8   4  -8 1051.66 348.553   1
   8  -4  -8 1227.97 304.317   4
   8  -4  -8 811.908 238.715   1
   8   4  -7 2145.35 474.619   1
   8  -4  -7 1784.91 364.260   1
   8  -4  -7 1620.08 346.840   4
   8   4  -6 3579.56 593.801   1
   8  -4  -6 4188.27 551.848   1
   8  -4  -6 3699.71 552.492   4
   8  -4  -5 1042.77 283.238   1
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   8  -4  -5 843.489 279.848   4
   8   4  -5 647.701 245.042   1
   8   4  -4 1280.76 351.471   1
   8   4  -4 1219.43 320.716   2
   8  -4  -4 1963.40 398.375   1
   8  -4  -4 1411.47 357.551   4
   8   4  -3 220.778 157.830   1
   8  -4  -3 76.0004 28.4025   1
   8   4  -3 96.8817 81.5422   2
   8  -4  -3 48.6030 37.4701   4
   8   4  -2 0.58063 58.8591   1
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   8   4  -2 101.962 114.339   2
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   8  -4  -1 92.6253 119.460   4
   8   4  -1 346.517 167.447   1
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   8   4   0 451.803 189.121   1
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   8  -4   0 399.306 203.041   1
   8  -4   1 69.4358 69.2471   1
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   8   4   1 58.7797 64.8698   1
   8  -4   1 36.9356 100.566   4
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   8   4   2 15.2809 40.8095   1
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   8  -4   3 578.887 292.637   4
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   8   4   3 650.662 197.674   1
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   8   4   4 171.670 73.0573   1
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   8  -4   4 218.156 238.633   4
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   8   4   5 23.2385 62.5597   1
   8   4   5-46.3818 74.1512   4
   8  -4   5 19.7697 100.038   4
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   8   4   6 918.121 232.021   1
   8   4   6 1112.62 254.598   4
   8  -4   6 1993.79 660.430   4
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   8   4   7 1132.51 246.020   1
   8  -4   7 1625.99 667.813   4
   8   4   7 855.729 216.126   4
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   8  -4   8 1865.22 686.555   4
   8   4   8 984.748 240.178   4
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   8   4   8 1063.93 232.219   1
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   8   4   9 64.4322 132.114   4
   8  -4   9-166.418 327.903   4
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   8  -4  10 122.404 301.854   4
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   8  -4  11 906.759 514.501   4
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   8  -4  12 1850.07 720.416   4
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   8  -4  13 192.804 228.582   4
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   8  -4  14 12.0411 253.867   4
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   8  -4  15 57.6546 276.741   4
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   8  -4  16 524.468 536.278   4
   8   5 -19 128.441 193.688   1
   8   5 -18 528.746 351.218   1
   8   5 -17 190.722 219.839   1
   8   5 -16 1326.77 570.561   1
   8   5 -15-3.07428 44.4560   1
   8   5 -14-43.4236 86.6627   1
   8   5 -13 3249.99 740.696   1
   8   5 -12 272.784 243.345   1
   8   5 -11-1.19588 158.494   1
   8   5 -10 311.671 271.003   1
   8  -5 -10 302.308 122.909   1
   8  -5 -10 439.914 171.195   4
   8   5  -9 217.428 146.849   1
   8  -5  -9 166.230 124.041   1
   8  -5  -9 188.723 117.917   4
   8  -5  -8 105.815 104.617   1
   8   5  -8-81.6535 183.437   1
   8  -5  -8-7.09195 76.2313   4
   8  -5  -7-12.8799 7.41014   4
   8  -5  -7 7.37277 64.0674   1
   8   5  -7 69.4138 134.476   1
   8  -5  -6 276.828 148.424   4
   8   5  -6 15.7986 96.4216   1
   8  -5  -6 154.895 96.2144   1
   8   5  -5 2298.93 478.673   1
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   8  -5  -5 2506.71 485.847   4
   8  -5  -5 2758.01 480.548   1
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   8   5  -4 262.083 190.102   2
   8  -5  -4 248.711 126.454   1
   8   5  -4 326.123 214.306   1
   8  -5  -4-8.41514 123.756   4
   8   5  -3 178.810 143.701   1
   8   5  -3 150.627 111.003   2
   8  -5  -3 485.493 245.415   1
   8  -5  -3 538.826 217.361   4
   8   5  -2 182.699 103.573   1
   8  -5  -2 286.116 162.538   4
   8   5  -2-74.5440 100.693   2
   8   5  -1 647.772 218.106   1
   8  -5  -1 295.874 227.576   4
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   8   5  -1 391.819 207.877   2
   8   5   0 143.035 86.7648   1
   8   5   0 55.4024 110.672   2
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   8   5   1 70.7082 31.9768   1
   8   5   1-43.3956 66.4423   2
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   8   5   2 496.666 160.663   1
   8   5   2 494.778 211.998   2
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   8  -5   2 233.849 232.840   4
   8  -5   3 1353.53 526.429   4
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   8   5   3 1309.22 260.127   1
   8  -5   4 1048.31 453.251   4
   8   5   4 988.547 232.977   1
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   8   5   5 1282.30 264.842   1
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   8   5   5 1685.11 318.621   4
   8  -5   5 2581.45 754.492   4
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   8  -5   6 91.7465 120.361   4
   8   5   6 118.755 78.2358   4
   8   5   6 217.788 118.848   1
   8  -5   7 423.289 314.471   4
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   8  -5   8 37.2067 81.3427   4
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   8  -5   9 72.8971 225.877   4
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   8  -5  10-29.2884 195.387   4
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   8  -5  11 987.577 435.541   4
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   8  -5  12 1186.79 638.042   4
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   8  -5  13 320.613 153.686   4
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   8  -5  14-15.6529 124.305   4
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   8  -5  15 52.3078 183.055   4
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   8   6 -17 669.263 457.416   1
   8   6 -16 217.252 243.600   1
   8   6 -15 1053.70 514.771   1
   8   6 -14 9.65054 116.626   1
   8   6 -13 576.250 380.058   1
   8   6 -12-47.7673 55.3720   1
   8   6 -11 292.865 245.733   1
   8   6 -10-57.6766 85.8937   1
   8   6  -9 487.725 266.773   1
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   8  -6  -8-0.81626 69.1147   4
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   8   6  -7-132.884 182.238   1
   8  -6  -7 256.036 194.990   4
   8   6  -6 2250.96 497.719   1
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   8  -6  -6 3464.34 638.344   4
   8   6  -5-132.883 143.038   2
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   8  -6  -5 251.969 226.592   4
   8   6  -5 24.2003 64.9905   1
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   8  -6  -4 2890.85 624.679   4
   8   6  -4 2286.83 490.548   1
   8   6  -4 2360.37 529.858   2
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   8   6  -3 2170.17 455.336   1
   8   6  -3 2293.85 511.499   2
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   8  -6  -3 3044.34 638.382   4
   8   6  -2 64.3307 70.0547   1
   8  -6  -2 50.1361 82.3997   4
   8   6  -2 83.5954 105.746   2
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   8   6  -1 1045.71 287.878   1
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   8   6  -1 729.991 270.685   2
   8  -6   0 630.712 329.717   4
   8   6   0 919.978 279.550   1
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   8   6   0 564.068 221.217   2
   8  -6   1 437.756 386.009   4
   8   6   1 461.519 181.824   1
   8   6   1 178.837 178.364   2
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   8   6   2 3277.57 566.250   2
   8   6   2 2467.96 384.347   1
   8  -6   2 2560.12 718.016   4
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   8   6   3 2230.67 352.786   1
   8  -6   3 2071.48 628.742   4
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   8   6   4 494.307 175.289   1
   8  -6   4 368.699 304.326   4
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   8  -6   5 147.794 238.532   4
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   8  -6   6 323.531 336.314   4
   8  -6   7 38.0103 126.369   4
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   8  -6   8-220.445 303.546   4
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   8  -6   9-62.0415 233.858   4
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   8  -6  10-40.7148 214.130   4
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   8  -6  11-59.7364 188.351   4
   8  -6  12 2.51963 362.266   4
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   8  -6  13 233.690 417.648   4
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   8   7 -15-50.4854 260.152   1
   8   7 -14-118.833 123.800   1
   8   7 -13 47.2971 165.331   1
   8   7 -12 518.271 383.200   1
   8   7 -11 187.374 217.235   1
   8   7 -10 61.2533 65.0959   1
   8   7  -9 269.099 205.226   1
   8   7  -8 238.125 196.697   1
   8   7  -7 249.431 218.422   1
  -8   7   6 111.787 113.065   1
   8   7  -6 67.0258 80.1359   1
   8   7  -5 5905.63 849.699   1
  -8   7   5 5124.35 720.754   1
   8   7  -5 6903.02 988.389   2
   8  -7  -5 7571.62 1007.00   4
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   8   7  -4 455.700 281.684   2
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   8  -7  -4 423.121 233.155   4
   8   7  -4 485.385 238.705   1
   8   7  -3 17.1651 49.6434   1
   8  -7  -3 128.096 181.083   4
  -8   7   3-53.4722 106.056   1
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   8   7  -3 140.099 147.454   2
   8   7  -2 181.726 146.656   1
   8   7  -2 172.681 165.947   2
   8  -7  -2-47.1045 188.127   4
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   8  -7  -1 104.276 183.689   4
   8   7  -1-30.1135 97.5763   1
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   8   7  -1-36.5188 94.0565   2
   8  -7   0 56.8216 59.5909   4
   8   7   0 120.874 99.2215   1
   8   7   0 101.510 137.382   2
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   8   7   1 1899.05 366.877   1
   8   7   1 1919.13 469.607   2
   8  -7   1 2103.64 574.087   4
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   8  -7   2 443.653 305.958   4
   8   7   2 117.165 52.7622   1
   8   7   2 619.401 254.654   2
  -8   7  -3 291.727 210.962   1
   8  -7   3 20.3059 18.4973   4
   8   7   3 310.335 253.946   2
   8  -7   4 113.624 222.123   4
  -8   7  -4 261.042 269.497   1
   8  -7   5-16.7734 122.235   4
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   8  -7   6 112.858 114.526   4
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   8  -7   7 128.725 260.750   4
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   8  -7   8 32.8314 131.047   4
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   8  -7   9-292.373 395.502   4
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   8  -7  10-113.861 149.803   4
  -8   7 -10 330.511 337.304   1
   8  -7  11-61.2534 296.569   4
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   9  -1   3 1680.77 373.666   1
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   9  -1   4 1847.26 405.423   1
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   9   1   5 369.655 164.748   1
   9  -1   5 366.084 164.561   1
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   9  -2   3-4.26375 40.3636   1
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   9   3 -17 2653.76 728.018   1
   9   3 -16 404.558 249.125   1
   9   3 -15 85.1986 172.031   1
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   9  -3 -15 127.364 114.157   1
   9  -3 -14 1020.74 250.041   3
   9  -3 -14 824.050 231.412   1
   9   3 -14 1544.97 475.796   1
   9  -3 -13 1733.01 300.462   3
   9   3 -13 1825.87 503.480   1
   9  -3 -13 1999.41 360.557   1
   9  -3 -12 219.822 106.877   1
   9   3 -12 303.678 111.007   1
   9   3 -11 1390.64 409.659   1
   9  -3 -11 1111.51 266.865   1
   9   3 -10 1010.96 350.751   1
   9  -3 -10 1786.79 333.937   1
   9  -3  -9 1158.91 260.616   1
   9   3  -9 1235.02 386.290   1
   9  -3  -8 1178.52 284.583   1
   9   3  -8 744.908 280.374   1
   9  -3  -7 25.1699 48.6377   1
   9   3  -7-18.3991 47.0907   1
   9   3  -6 70.8149 50.9977   1
   9  -3  -6 39.7533 107.801   1
   9  -3  -6 72.6015 125.802   4
   9  -3  -5 2878.55 453.846   1
   9   3  -5 2258.58 435.901   1
   9   3  -5 3632.59 507.175   2
   9  -3  -5 2838.02 472.260   4
   9   3  -4 49.1820 85.1811   1
   9   3  -4 84.0249 91.9699   2
   9  -3  -4 87.4428 76.1087   1
   9  -3  -4 198.524 178.748   4
   9   3  -3 158.753 137.188   1
   9  -3  -3-30.7728 55.8841   1
   9   3  -3 68.4500 84.7660   2
   9  -3  -3 52.5412 57.5092   4
   9   3  -2 1918.03 367.510   1
   9  -3  -2 2357.58 430.330   1
   9   3  -2 2119.44 364.138   2
   9  -3  -2 2093.44 426.645   4
   9   3  -1-3.69330 19.1284   1
   9  -3  -1 70.7564 142.861   1
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   9   3  -1 41.4199 91.9642   2
   9  -3  -1-33.7663 66.6362   4
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   9   3   0 105.073 130.674   1
   9   3   0-41.1126 78.2786   2
   9  -3   0 24.7163 111.063   1
   9  -3   0 48.1730 78.3048   4
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   9  -3   1 3048.14 545.758   4
   9  -3   1 3162.93 533.457   1
   9   3   1 3027.19 438.827   1
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   9  -3   2 1127.75 320.043   1
   9   3   2 972.210 254.550   1
   9  -3   2 988.648 331.605   4
   9   3   3 221.638 128.529   1
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   9  -3   3 633.328 254.017   4
   9  -3   3 457.790 244.603   1
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   9  -3   4 1587.74 436.764   1
   9   3   4 951.993 246.782   1
   9   3   4 763.973 232.368   4
   9  -3   4 1394.27 498.160   4
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   9   3   5 670.781 223.189   4
   9   3   5 562.485 169.710   1
   9   3   6 613.109 212.625   1
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   9   3   6 680.695 212.339   4
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   9  -3   6 554.792 379.626   4
   9   3   7 1970.47 393.037   4
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   9   3   7 2073.75 393.006   1
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   9  -3   7 2919.59 721.240   4
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   9   3   8 3287.56 488.878   4
   9   3   8 3353.71 467.316   1
   9  -3   9 2057.04 709.264   4
   9   3   9 2509.62 516.415   4
   9   3   9 1634.37 352.510   1
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   9  -3  10 827.897 429.434   4
   9   3  10 489.088 241.505   4
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   9   3  11 2033.60 518.272   4
   9  -3  11 2942.41 829.239   4
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  -9   3 -11 1716.26 585.649   1
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   9  -3  12 558.888 524.329   4
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   9  -3  13-44.9274 278.679   4
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   9  -3  14 1213.09 591.322   4
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   9  -3  15 239.400 288.568   4
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   9  -3  16 117.479 145.920   4
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  -9   3 -16 414.276 360.558   3
   9  -3  17-47.1776 105.122   4
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   9   4 -20 177.122 159.063   1
   9   4 -19 970.317 436.296   1
   9   4 -18 1038.17 433.761   1
   9   4 -17 215.562 244.841   1
   9   4 -16 179.642 182.296   1
   9   4 -15 53.7334 99.5934   1
   9   4 -14 248.424 201.807   1
   9  -4 -13 431.471 161.148   1
   9   4 -13 610.880 305.278   1
   9  -4 -12 7.33524 50.7121   1
   9   4 -12 347.376 273.418   1
   9  -4 -11 61.8116 55.8408   1
   9  -4 -11-45.6615 36.4558   4
   9   4 -11 15.2264 104.323   1
   9  -4 -10 238.560 162.659   1
   9  -4 -10 78.1992 90.1809   4
   9   4 -10 5.16193 82.1576   1
   9  -4  -9 1110.40 267.890   1
   9  -4  -9 655.516 214.175   4
   9   4  -9 552.180 255.498   1
   9  -4  -8 100.364 76.5052   1
   9  -4  -8 300.169 152.790   4
   9   4  -8 102.226 139.130   1
   9  -4  -7 1256.59 314.557   1
   9  -4  -7 1748.57 402.722   4
   9   4  -7 1100.52 358.360   1
   9   4  -6 2553.04 537.146   1
   9  -4  -6 2619.28 466.716   1
   9  -4  -6 2249.73 456.687   4
   9   4  -5 1796.95 425.968   1
   9   4  -5 2003.02 420.200   2
   9  -4  -5 2274.09 446.880   1
   9  -4  -5 1749.73 419.191   4
   9   4  -4 837.749 279.507   1
   9  -4  -4 711.836 266.887   1
   9   4  -4 869.658 266.620   2
   9  -4  -4 733.674 296.499   4
   9   4  -3 10619.0 948.804   1
   9   4  -3 11520.2 967.297   2
   9  -4  -3 11705.1 1033.26   1
   9  -4  -3 11842.4 1099.57   4
   9  -4  -2 165.685 192.542   1
   9   4  -2 89.5617 89.0628   1
   9   4  -2 135.838 110.223   2
   9  -4  -2 106.975 140.507   4
   9   4  -1 6089.58 669.328   1
   9   4  -1 5845.07 690.435   2
   9  -4  -1 7049.06 845.638   4
   9  -4  -1 6968.50 797.341   1
   9  -4   0 698.187 262.628   1
   9   4   0 618.406 205.538   1
   9   4   0 311.754 141.951   2
   9  -4   0 72.5218 31.2064   4
   9  -4   1-134.408 115.022   1
   9   4   1-53.8584 82.7865   1
   9   4   1-18.3088 50.8066   2
   9  -4   1 183.684 242.240   4
  -9   4  -2 480.253 153.871   3
   9   4   2 650.040 200.469   1
   9  -4   2 708.890 344.273   4
   9   4   3 2532.94 396.986   1
  -9   4  -3 2310.94 376.160   3
  -9   4  -3 2022.60 460.115   1
   9   4   4 4320.36 528.339   1
  -9   4  -4 3952.60 517.633   3
  -9   4  -4 3181.73 593.483   1
   9  -4   4 4645.04 907.860   4
  -9   4  -5 2355.10 446.547   3
   9   4   5 2268.42 387.046   1
   9   4   5 2515.87 413.422   4
   9  -4   5 2903.05 722.410   4
  -9   4  -5 2011.05 491.459   1
   9  -4   6 983.783 405.555   4
   9   4   6 664.733 196.731   1
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   9   4   6 824.315 253.726   4
  -9   4  -6 1593.20 459.900   1
   9  -4   7 1092.29 560.009   4
  -9   4  -7 743.254 255.378   3
   9   4   7 702.571 217.615   1
   9   4   7 659.179 230.741   4
  -9   4  -7 250.013 170.150   1
   9   4   8 88.6039 81.3064   1
  -9   4  -8 205.481 181.584   3
  -9   4  -8-18.0621 84.5615   1
   9   4   8 32.1357 46.4702   4
  -9   4  -9 142.513 207.557   1
   9  -4   9-28.4596 101.604   4
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   9   4   9 64.7294 97.3964   4
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   9  -4  10 17.9430 205.596   4
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   9  -4  11 177.082 282.233   4
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   9  -4  12 180.575 382.214   4
  -9   4 -12 57.4974 13.9670   3
  -9   4 -12 424.542 308.828   1
   9  -4  13-99.0389 133.939   4
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   9  -4  14 199.530 254.031   4
  -9   4 -14 41.2297 191.957   1
  -9   4 -14 81.1013 190.752   3
   9  -4  15 313.335 322.554   4
  -9   4 -15 972.688 451.747   1
  -9   4 -15 917.283 389.554   3
  -9   4 -16 241.862 215.681   3
   9   5 -19 172.432 28.6627   1
   9   5 -18 1058.76 531.787   1
   9   5 -17 228.519 281.569   1
   9   5 -16-259.717 224.406   1
   9   5 -15-94.9409 139.780   1
   9   5 -14 1296.25 460.573   1
   9   5 -13 396.544 294.977   1
   9   5 -12 973.476 414.594   1
   9  -5 -11 1407.10 316.296   1
   9   5 -11 888.662 371.638   1
   9  -5 -11 1158.41 294.614   4
   9  -5 -10 135.591 78.0802   1
   9  -5 -10 482.941 229.084   4
   9   5 -10 134.421 184.391   1
   9  -5  -9 312.394 188.570   4
   9  -5  -9 543.776 209.668   1
   9   5  -9 474.618 253.293   1
   9   5  -8 2754.44 578.463   1
   9  -5  -8 2730.78 476.833   1
   9  -5  -8 3448.34 570.577   4
   9  -5  -7-58.7427 83.9110   4
   9   5  -7 40.7154 149.276   1
   9  -5  -6 717.880 249.728   1
   9  -5  -6 283.695 171.872   4
   9   5  -6 229.798 211.974   1
   9   5  -5 2308.15 498.685   1
   9   5  -5 2113.60 452.500   2
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   9  -5  -5 2860.88 549.452   4
   9  -5  -5 2173.75 449.143   1
   9   5  -4 12634.6 1100.34   1
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   9   5  -4 13610.5 1142.90   2
   9  -5  -4 12891.8 1157.83   4
   9  -5  -4 11753.5 1042.03   1
   9   5  -3 1410.91 363.607   1
   9  -5  -3 1019.61 355.167   1
   9  -5  -3 560.023 292.788   4
   9   5  -3 823.494 284.547   2
   9   5  -2 68.4305 35.9271   1
   9   5  -2 60.1174 86.8468   2
   9  -5  -2 40.0063 123.309   1
   9  -5  -2 151.176 160.320   4
   9   5  -1-12.5547 76.1018   1
   9  -5  -1 373.760 289.380   4
   9   5  -1 186.198 138.200   2
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   9   5   0 161.975 127.571   1
   9   5   0-117.346 145.908   2
   9  -5   0 286.760 252.542   4
   9   5   1-6.95239 41.7487   1
   9   5   1 62.2674 63.5593   2
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   9   5   2 162.208 69.3709   1
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   9  -5   2 126.286 216.918   4
   9   5   3 286.224 135.575   1
   9  -5   3 380.530 289.478   4
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   9   5   4 316.699 139.612   1
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   9  -5   5 2745.92 855.708   4
   9   5   5 1982.92 353.174   1
  -9   5  -5 2723.72 698.418   1
   9   5   5 2370.14 393.552   4
  -9   5  -6-21.8104 23.8414   3
   9   5   6 51.1398 73.3521   4
   9   5   6 81.9763 47.7324   1
   9  -5   7 124.362 255.605   4
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  -9   5  -7-14.6854 126.384   1
  -9   5  -8 287.549 221.614   1
   9  -5   8 36.3914 98.2026   4
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  -9   5  -9 646.592 378.447   1
   9  -5   9 245.197 302.152   4
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   9  -5  10 1135.18 525.867   4
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   9  -5  11 102.870 186.999   4
  -9   5 -11-1.66110 211.754   1
  -9   5 -11-8.16059 84.5311   3
  -9   5 -12 393.020 312.643   1
  -9   5 -12 28.1334 19.7688   3
   9  -5  12 87.0611 334.387   4
   9  -5  13 1304.21 599.270   4
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  -9   5 -13 1604.03 523.319   3
   9  -5  14 794.018 525.884   4
  -9   5 -14 741.703 329.315   1
  -9   5 -14 492.809 336.857   3
  -9   5 -15 144.749 260.235   3
   9   6 -17 199.693 319.028   1
   9   6 -16 1876.83 622.590   1
   9   6 -15 180.870 188.479   1
   9   6 -14-72.5502 193.523   1
   9   6 -13-26.6438 60.5418   1
   9   6 -12-20.8375 102.991   1
   9   6 -11 45.7606 63.9154   1
   9   6 -10 417.285 286.068   1
   9   6  -9 127.817 205.987   1
   9   6  -8 90.8140 94.9318   1
   9  -6  -8 49.7083 84.1882   4
   9   6  -7 131.719 144.931   1
   9  -6  -7-26.6261 91.6706   4
   9   6  -6 1960.33 493.568   2
  -9   6   6 1885.37 420.774   1
   9   6  -6 1766.06 463.427   1
   9  -6  -6 1894.37 529.003   4
   9   6  -5 356.760 254.349   2
  -9   6   5 240.514 106.019   2
  -9   6   5 396.639 245.090   1
   9  -6  -5 405.687 308.810   4
   9   6  -5 399.151 215.178   1
  -9   6   4 170.722 82.3663   2
   9   6  -4 439.311 208.227   2
   9  -6  -4 341.095 236.587   4
   9   6  -4 436.858 239.549   1
  -9   6   4 641.881 261.059   1
   9   6  -3-131.869 125.519   1
   9   6  -3 212.760 229.510   2
  -9   6   3 19.6493 114.275   1
   9  -6  -3-14.7356 82.8354   4
   9   6  -2 1893.75 406.756   1
   9   6  -2 1956.86 469.257   2
   9  -6  -2 3150.92 736.270   4
  -9   6   2 1962.26 489.410   1
   9   6  -1 287.085 178.544   1
   9  -6  -1 136.934 246.420   4
   9   6  -1 147.076 135.464   2
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   9  -6   0 126.322 83.5152   4
  -9   6   0 33.3964 127.045   1
   9   6   0 138.160 130.431   1
   9   6   0 0.85807 50.5113   2
   9   6   1 227.743 150.157   1
   9  -6   1 219.488 233.451   4
   9   6   1 310.783 202.254   2
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   9  -6   2 818.688 451.209   4
   9   6   2 147.630 67.9012   2
   9   6   2 489.811 188.050   1
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   9   6   3 424.191 173.612   1
  -9   6  -3 42.5975 131.806   1
  -9   6  -4 224.087 236.395   1
   9  -6   4 160.346 104.211   4
   9   6   4-18.3567 48.3970   1
   9  -6   5 332.680 372.745   4
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  -9   6  -6 538.173 317.119   1
   9  -6   6 47.5657 55.0263   4
  -9   6  -7-64.2416 191.150   1
   9  -6   7 222.125 295.105   4
   9  -6   8 740.526 387.547   4
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   9  -6   9-11.0299 266.348   4
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   9  -6  10 220.159 44.3441   4
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   9  -6  11 620.682 505.134   4
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   9  -6  12-155.286 277.194   4
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   9   7 -15 3890.73 934.867   1
   9   7 -14 733.022 435.451   1
   9   7 -13 264.577 188.784   1
   9   7 -12 343.208 263.788   1
   9   7 -11-154.109 186.744   1
   9   7 -10-134.559 190.439   1
   9   7  -9 689.149 350.541   1
   9   7  -8 442.661 264.834   1
   9   7  -7 2806.51 616.338   1
   9   7  -6 1213.33 399.706   2
   9  -7  -6 1536.91 475.736   4
   9   7  -6 1239.56 384.909   1
  -9   7   6 1469.28 421.485   1
   9  -7  -5 363.694 246.832   4
   9   7  -5 235.450 174.949   1
   9   7  -5-8.89743 162.655   2
  -9   7   5 170.514 43.5883   1
   9   7  -4 1587.66 438.958   1
   9   7  -4 1885.45 522.663   2
   9  -7  -4 2211.80 634.560   4
  -9   7   4 2143.70 566.879   1
   9  -7  -3 1758.60 607.251   4
   9   7  -3 2165.81 479.070   1
   9   7  -3 887.676 343.648   2
  -9   7   3 1062.51 415.032   1
   9  -7  -2 2243.88 682.639   4
   9   7  -2 1103.51 334.354   1
   9   7  -2 2190.88 528.283   2
  -9   7   2 1915.54 557.560   1
   9  -7  -1 1532.48 553.094   4
   9   7  -1 853.704 273.144   1
  -9   7   1 1249.07 437.460   1
   9   7  -1 538.804 243.929   2
  -9   7   0 278.266 188.934   1
   9  -7   0 162.026 110.696   4
   9   7   0 133.046 74.2081   1
   9   7   0 214.244 218.528   2
   9   7   1 7314.12 939.121   2
   9   7   1 5830.48 665.938   1
  -9   7  -1 8001.38 1154.26   1
  -9   7  -2 1963.77 582.561   1
   9  -7   2 1502.31 608.802   4
   9   7   2 470.027 215.042   2
  -9   7  -3 234.570 205.196   1
   9  -7   3 219.271 272.522   4
   9  -7   4-244.727 251.892   4
  -9   7  -4 135.547 151.783   1
  -9   7  -5 750.010 402.020   1
   9  -7   5 922.069 475.580   4
   9  -7   6 153.092 116.892   4
  -9   7  -6-75.7993 125.898   1
   9  -7   7-35.0497 245.372   4
  -9   7  -7 263.210 318.474   1
   9  -7   8 248.878 291.596   4
  -9   7  -8 680.892 439.174   1
   9  -7   9 12.0710 227.017   4
  -9   7  -9 30.8170 97.0765   1
   9  -7  10 767.334 569.486   4
  -9   7 -10 365.500 372.414   1
   9   8 -13 311.706 291.840   1
   9   8 -12 64.2474 189.100   1
   9   8 -11 310.169 308.976   1
   9   8 -10 11.3864 169.007   1
   9   8  -9-173.645 175.957   1
   9   8  -8 57.3210 85.8341   1
   9   8  -8 463.528 270.652   2
   9   8  -7 1433.00 501.844   2
   9   8  -7 1302.31 443.254   1
   9   8  -6 300.487 210.617   2
   9   8  -6 432.554 232.219   1
   9   8  -5 719.596 346.473   1
   9   8  -5 394.447 306.778   2
   9   8  -4-39.3236 97.3427   1
   9   8  -4 28.8724 94.0742   2
   9  -8  -3-115.174 163.547   4
  -9   8   3 146.319 197.064   1
   9   8  -3 256.872 233.532   1
   9   8  -3 214.355 197.239   2
   9  -8  -2 333.668 301.092   4
   9   8  -2-29.9614 73.9907   1
   9   8  -2 190.168 179.261   2
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  20   0  -5-98.8760 153.192   1
  20   0  -5-233.825 241.811   4
  20   0  -4-251.219 184.362   1
  20   0  -4 14.7466 126.927   4
  20   0  -3 189.528 99.2700   1
  20   0  -3 235.087 205.091   4
  20   0  -2 88.9108 96.0443   1
  20   0  -2-137.887 196.024   4
  20   0  -1 356.861 296.835   4
  20   0  -1 44.3022 201.878   1
  20   0   0 8.66738 133.055   1
  20   0   0 180.142 229.158   4
  20   0   1 136.751 181.662   1
  20   0   1-9.83789 162.302   4
  20   0   2 816.580 359.987   1
  20   0   2 517.529 297.369   4
  20   0   3 4.77891 274.773   1
  20   0   3 181.344 212.576   4
  20   0   4-76.0049 153.088   1
  20   0   4 522.884 273.803   4
  20  -1 -16 434.506 321.455   1
  20  -1 -15 18.4655 160.611   1
  20  -1 -14 338.977 315.286   1
  20   1 -14 341.692 325.474   1
  20  -1 -13 776.719 411.624   1
  20   1 -13 385.827 265.583   1
  20  -1 -12 88.8186 207.509   1
  20   1 -12 149.703 158.080   1
  20  -1 -11 75.4847 162.080   1
  20   1 -11 42.2454 159.227   1
  20  -1 -10 244.127 265.705   1
  20   1 -10 327.238 330.997   1
  20   1  -9-4.04967 29.5118   1
  20  -1  -9 289.082 222.683   1
  20   1  -8-169.896 179.917   1
  20  -1  -8 419.547 300.099   1
  20   1  -7 166.503 196.926   1
  20  -1  -7 137.670 176.700   1
  20  -1  -7-11.5567 205.890   4
  20   1  -6 921.994 368.451   1
  20  -1  -6 299.053 279.244   1
  20  -1  -6 252.882 365.418   4
  20   1  -5-1.33295 84.9610   1
  20  -1  -5 303.986 257.844   1
  20  -1  -5 195.148 160.796   4
  20   1  -4 220.321 224.761   1
  20  -1  -4 314.900 236.083   1
  20  -1  -4 54.1232 83.7981   4
  20   1  -3-47.8997 94.2588   1
  20   1  -3 188.757 249.206   4
  20  -1  -3 400.274 376.678   4
  20  -1  -3-116.913 153.204   1
  20   1  -2 108.286 127.282   1
  20   1  -2-42.0152 118.282   4
  20  -1  -2-46.8217 74.3651   4
  20  -1  -2 126.659 184.724   1
  20  -1  -1 50.0631 272.169   1
  20   1  -1 166.942 195.932   1
  20   1  -1 144.198 244.731   4
  20  -1  -1 47.1916 156.657   4
  20  -1   0 98.2289 286.908   1
  20   1   0-3.16402 187.055   4
  20  -1   0 1.64074 93.1944   4
  20   1   0-450.214 315.695   1
  20   1   1 331.773 268.291   1
  20  -1   1-112.960 239.212   1
  20   1   1 232.338 230.379   4
  20  -1   1-111.139 217.967   4
  20   1   2 203.034 274.044   1
  20  -1   2 117.612 190.318   1
  20   1   2 108.680 171.709   4
  20  -1   2 79.0452 113.596   4
  20  -1   3 778.844 417.004   1
  20   1   3 807.348 404.314   1
  20   1   3 1544.35 575.501   4
  20  -1   3 1388.68 566.938   4
  20  -1   4 22.6454 182.899   1
  20   1   4 481.286 283.315   1
  20   1   4 468.050 357.351   4
  20  -1   4 247.723 161.824   4
  20   1   5 1967.39 655.088   1
  20   1   5 632.534 374.250   4
  20  -2 -16 1279.49 499.927   1
  20  -2 -15 357.516 275.011   1
  20  -2 -14 85.4866 142.190   1
  20  -2 -13 771.980 382.540   1
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  20   2 -12 716.601 418.433   1
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  20  -2  -9 27.6628 71.9969   1
  20  -2  -9 119.767 208.168   4
  20   2  -9 204.964 229.676   1
  20  -2  -8 19.8618 76.5901   1
  20  -2  -8 16.1766 128.604   4
  20   2  -8 28.5311 138.524   1
  20   2  -7 93.6193 75.6258   1
  20  -2  -7 53.5974 112.506   1
  20  -2  -7 37.0521 124.442   4
  20   2  -6 587.114 321.270   1
  20  -2  -6 252.056 249.658   1
  20  -2  -6 420.691 267.863   4
  20   2  -5 292.771 318.264   1
  20  -2  -5 21.4386 149.720   4
  20  -2  -5 147.136 167.799   1
  20   2  -4 302.966 283.771   1
  20  -2  -4 182.163 249.157   4
  20  -2  -4 282.987 278.299   1
  20  -2  -3 368.122 234.991   1
  20   2  -3 555.602 336.597   1
  20  -2  -3 408.824 169.715   4
  20  -2  -2 1325.31 512.596   1
  20   2  -2 1488.42 516.732   1
  20   2  -2 70.9963 62.6192   4
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  20  -2  -1 190.971 277.980   1
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  20  -2  -1 597.352 389.444   4
  20  -2   0 446.343 394.405   1
  20   2   0 307.076 229.881   1
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  20  -2   0 418.855 323.147   4
  20   2   1 629.589 432.879   4
  20  -2   1 317.878 307.632   1
  20   2   1 138.008 258.215   1
  20  -2   1 160.383 178.840   4
  20   2   2 93.2098 123.317   1
  20  -2   2 104.001 142.089   1
  20   2   2 33.4463 116.789   4
  20  -2   2-77.8247 114.384   4
  20   2   3 580.329 364.329   1
  20   2   3 740.447 372.896   4
  20   2   4 396.053 296.882   1
  20   2   4 966.703 428.578   4
  20   2   5 1476.41 552.148   1
  20   2   5 1789.80 655.728   4
  20  -3 -15 353.344 292.988   1
  20  -3 -15 634.457 333.270   4
  20  -3 -14 134.169 138.361   1
  20  -3 -14 239.701 177.179   4
  20  -3 -13 72.3180 129.291   1
  20  -3 -13 314.412 268.841   4
  20  -3 -12 412.558 288.414   1
  20  -3 -12 352.730 257.236   4
  20  -3 -11 664.503 353.815   1
  20   3 -11 518.078 295.878   1
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  20   3 -10-160.364 140.325   1
  20  -3 -10 46.5151 28.4093   4
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  20   3  -9 576.246 341.367   1
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  20  -3  -8-228.593 238.942   4
  20  -3  -8-28.0812 105.221   1
  20   3  -8 331.148 306.546   1
  20  -3  -7-71.2343 71.8182   4
  20  -3  -7 1.41448 119.767   1
  20   3  -7 1.38189 33.7774   1
  20  -3  -6 214.324 258.227   1
  20   3  -6 135.341 136.398   1
  20  -3  -6 185.095 133.878   4
  20   3  -5 216.086 186.143   1
  20  -3  -5 212.294 221.357   1
  20  -3  -5-42.2828 122.251   4
  20   3  -4 350.239 258.005   1
  20  -3  -4-143.445 170.836   1
  20  -3  -4 48.3783 143.208   4
  20   3  -3 163.872 196.443   1
  20  -3  -3 112.929 23.2770   1
  20  -3  -3 259.088 242.214   4
  20   3  -2 735.451 420.094   1
  20  -3  -2 1247.71 495.800   1
  20  -3  -2 1087.01 467.850   4
  20   3  -1 189.857 177.802   1
  20   3  -1 319.900 289.603   4
  20  -3  -1 319.099 195.703   1
  20  -3  -1 747.731 492.191   4
  20   3   0 119.749 151.696   1
  20   3   0 143.238 185.006   4
  20  -3   0-20.9571 42.6875   4
  20  -3   1 53.4350 155.568   1
  20   3   1-151.640 208.193   1
  20   3   1 32.3988 144.091   4
  20  -3   1-230.148 277.359   4
  20   3   2 457.449 234.804   4
  20   3   2 527.385 273.739   1
  20   3   3-14.4136 94.5344   1
  20   3   3 293.111 330.883   4
  20   3   4 814.283 408.497   1
  20   3   4 1754.93 624.435   4
  20  -4 -13 82.6813 164.989   1
  20  -4 -13 82.0477 135.455   4
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  20  -4 -11 344.256 279.023   1
  20  -4 -10 159.074 188.749   4
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  20  -4  -1 127.849 261.095   4
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  20   4   2 81.8498 188.740   4
  20   4   2-140.005 171.447   1
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  20   5  -2 494.373 293.024   1
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  21   0  -1 336.495 282.257   1
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  21  -1  -9 562.344 337.290   1
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  21  -1  -4-40.2300 63.0810   1
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  21   1  -3 2.89327 135.110   1
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  21  -1  -3 4.99337 40.6841   4
  21  -1  -3-144.384 126.525   1
  21  -1  -2 215.002 239.815   1
  21   1  -2 474.284 250.471   1
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  21  -1  -1 65.3319 174.236   1
  21   1  -1-191.430 259.950   1
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  21  -1  -1 241.906 331.262   4
  21  -1   0-46.8844 210.592   1
  21   1   0 365.837 296.803   4
  21  -1   0 785.133 432.879   4
  21   1   0 237.871 253.267   1
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  21   1   1 311.235 283.497   4
  21   1   2 3077.64 766.529   1
  21   1   2 2029.52 690.840   4
  21  -2 -13 203.942 234.071   1
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  21  -2 -11 3.16040 151.574   4
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  21  -2 -10 226.652 112.283   4
  21   2 -10 195.008 270.519   1
  21  -2  -9 548.763 336.859   1
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  21  -2  -8 106.648 151.107   1
  21  -2  -8 103.618 79.8546   4
  21   2  -7 850.125 322.598   1
  21  -2  -7 747.301 365.919   1
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  21   2  -6 93.2183 188.388   1
  21  -2  -6-98.0353 167.548   4
  21  -2  -6 112.076 169.758   1
  21   2  -5 58.0416 128.860   1
  21  -2  -5 56.1778 169.432   4
  21  -2  -5 345.540 249.602   1
  21  -2  -4 235.443 150.359   1
  21   2  -4 298.990 288.985   1
  21  -2  -4 131.539 283.141   4
  21  -2  -3 186.213 255.770   1
  21   2  -3 301.927 233.110   1
  21   2  -3-1.58296 24.4710   4
  21  -2  -3 277.716 256.263   4
  21  -2  -2 159.113 241.704   1
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  21   2  -2 398.646 294.548   4
  21  -2  -2 170.164 239.335   4
  21  -2  -1 26.0563 165.086   1
  21   2  -1 358.242 304.489   1
  21   2  -1 106.020 43.6734   4
  21  -2  -1 208.682 206.248   4
  21   2   0 12.1693 188.125   1
  21   2   0-417.719 360.698   4
  21   2   1 716.046 400.824   4
  21   2   1 1290.82 528.288   1
  21   2   2 517.828 279.114   1
  21   2   2 73.7359 227.267   4
  21  -3 -12 153.755 224.796   1
  21  -3 -12 107.799 157.309   4
  21  -3 -11 367.139 263.135   1
  21  -3 -11-169.360 176.314   4
  21  -3 -10 138.477 168.124   1
  21  -3 -10 74.7348 110.908   4
  21  -3  -9-79.1220 74.7822   1
  21  -3  -9 313.455 284.780   4
  21  -3  -8-87.4039 171.966   4
  21  -3  -8 6.02482 49.3938   1
  21  -3  -7 131.948 182.977   4
  21  -3  -7 177.585 223.152   1
  21  -3  -6 32.0491 154.708   1
  21   3  -6-19.1648 83.7354   1
  21   3  -5 77.3642 65.7894   1
  21  -3  -5 67.9198 78.7480   4
  21   3  -4 76.9585 202.025   1
  21  -3  -4 352.586 265.511   1
  21  -3  -4-10.4525 139.937   4
  21   3  -3 11.5520 159.417   1
  21  -3  -3 508.325 317.570   1
  21  -3  -3 399.916 526.014   4
  21   3  -2 318.038 203.581   1
  21   3  -2 255.473 274.256   4
  21   3  -1 682.409 364.954   1
  21   3  -1 319.433 219.157   4
  21   3   0 7.37251 129.948   1
  21   3   0-260.960 171.007   4
  21   3   1 160.529 233.370   4
  21   3   1-120.943 101.794   1
  21  -4 -10 25.6742 117.896   1
  21  -4 -10 234.534 238.838   4
  21  -4  -9 70.0264 186.791   1
  21  -4  -9-115.467 63.3672   4
  21  -4  -8 234.493 237.656   1
  21  -4  -8 283.996 289.719   4
  21  -4  -7 74.7434 172.090   1
  21  -4  -7 798.823 478.732   4
  21   4  -4 588.295 417.518   1
  21   4  -3 63.7298 133.409   1
  21   4  -2 268.167 296.601   1
  21   4  -1 257.840 212.400   1
  21   4  -1 393.699 344.452   4
  22   0  -7 44.5664 141.549   1
  22   0  -7-309.806 329.485   4
  22   0  -6-144.704 243.272   1
  22   0  -6-42.6949 156.190   4
  22   0  -5 158.263 209.794   1
  22   0  -5 201.272 234.115   4
   0   0   0    0.00    0.00   0

TITL DM-SKP-2-2_Mo in P2(1)/c
REM P2(1)/c (#14 in standard setting)
CELL 0.71073  16.199340   7.608561  16.278650  90.0000 105.2180  90.0000
ZERR    8.00   0.001315   0.000516   0.001231   0.0000   0.0082   0.0000
LATT  1
SYMM -x, y+1/2,-z+1/2
SFAC C H N O
UNIT 88.00 80.00 8.00 8.00
TREF
HKLF 4
END
;
_shelx_hkl_checksum                22453
_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  2.834
_oxdiff_exptl_absorpt_empirical_full_min  0.616
