# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a5-dl_r2
_database_code_depnum_ccdc_archive 'CCDC 1958552'
loop_
_audit_author_name
_audit_author_address
"simone d'agostino"
;university of bologna
Italy
;
_audit_update_record             
;
2020-01-16 deposited with the CCDC.	2020-01-23 downloaded from the CCDC.
;
_audit_creation_date             2020-01-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C43 H38 S5'
_chemical_formula_sum            'C43 H38 S5'
_chemical_formula_weight         715.03
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C50 H40 S5'
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'
S S 0.1246 0.1234 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   13.507(3)
_cell_length_b                   5.9240(10)
_cell_length_c                   23.648(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.45(2)
_cell_angle_gamma                90
_cell_volume                     1886.5(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    614
_cell_measurement_temperature    300
_cell_measurement_theta_max      18.3180
_cell_measurement_theta_min      3.6590
_shelx_estimated_absorpt_T_max   0.997
_shelx_estimated_absorpt_T_min   0.974
_exptl_absorpt_coefficient_mu    0.337
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.06933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             752
_exptl_crystal_recrystallization_method 'slow evaporation'
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_av_unetI/netI     0.3236
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            6942
_diffrn_reflns_point_group_measured_fraction_full 0.797
_diffrn_reflns_point_group_measured_fraction_max 0.797
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.366
_diffrn_ambient_temperature      300
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1340
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -9.00  39.00   1.00  275.00    --   18.00  77.00 150.00   48
  2  ω     -8.00  17.00   1.00  475.00    --   18.00  77.00   0.00   25
  3  ω     40.00  68.00   1.00  475.00    --   18.00 178.00-150.00   28
  4  ω    -54.00  55.00   1.00  475.00    --   18.00 -19.00 -30.00  109
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0462188000
_diffrn_orient_matrix_UB_12      -0.0475868000
_diffrn_orient_matrix_UB_13      0.0100891000
_diffrn_orient_matrix_UB_21      -0.0106063000
_diffrn_orient_matrix_UB_22      0.0246387000
_diffrn_orient_matrix_UB_23      0.0282443000
_diffrn_orient_matrix_UB_31      -0.0230051000
_diffrn_orient_matrix_UB_32      -0.1071002000
_diffrn_orient_matrix_UB_33      0.0019699000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\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         0.451
_reflns_Friedel_fraction_full    0.555
_reflns_Friedel_fraction_max     0.555
_reflns_number_gt                1478
_reflns_number_total             5287
_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 > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.201
_refine_diff_density_min         -0.189
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.1(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.861
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     438
_refine_ls_number_reflns         5287
_refine_ls_number_restraints     384
_refine_ls_R_factor_all          0.2822
_refine_ls_R_factor_gt           0.0721
_refine_ls_restrained_S_all      0.839
_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/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1612
_refine_special_details          
'poorly diffracting crystals, low data to parameter ratio was improved by applying the RIGU restraints to the non-H atoms'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C42-C43
 1.32 with sigma of 0.02
 C43-C6
 2.45 with sigma of 0.04
3. Rigid body (RIGU) restrains
 C43, C42, C6, C1, C2, C3, C4, C5, S2, S3, S4, S5, S1, C7, C8, C9, C10, C11,
 C12, C13, C35, C36, C37, C38, C39, C40, C41, C34, C31, C32, C33, C28, C29, C30,
  C21, C22, C23, C26, C25, C24, C27, C19, C14, C15, C18, C17, C16, C20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C11(H11), C12(H12), C15(H15), C16(H16), C18(H18), C19(H19),
 C22(H22), C23(H23), C25(H25), C26(H26), C29(H29), C30(H30), C32(H32), C33(H33),
  C36(H36), C37(H37), C39(H39), C40(H40), C42(H42)
4.b X=CH2 refined with riding coordinates:
 C43(H43A,H43B)
4.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C20(H20A,H20B,H20C), C27(H27A,H27B,H27C), C34(H34A,H34B,
 H34C), C41(H41A,H41B,H41C)
;
_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
C1 C 0.6458(11) 0.442(3) 0.8000(6) 0.069(4) Uani 1 1 d . U . . .
C2 C 0.5776(11) 0.616(3) 0.7884(7) 0.069(4) Uani 1 1 d . U . . .
C3 C 0.5594(10) 0.693(2) 0.7320(6) 0.056(4) Uani 1 1 d . U . . .
C4 C 0.6062(11) 0.605(3) 0.6870(7) 0.067(4) Uani 1 1 d . U . . .
C5 C 0.6786(10) 0.417(3) 0.7009(6) 0.058(4) Uani 1 1 d . U . . .
C6 C 0.6946(11) 0.333(3) 0.7565(7) 0.064(4) Uani 1 1 d D U . . .
C7 C 0.4622(11) 0.573(3) 0.8822(7) 0.066(4) Uani 1 1 d . U . . .
C8 C 0.4412(12) 0.641(3) 0.9370(7) 0.083(5) Uani 1 1 d . U . . .
H8 H 0.464722 0.778346 0.951406 0.099 Uiso 1 1 calc R . . . .
C9 C 0.3840(13) 0.499(3) 0.9707(7) 0.084(6) Uani 1 1 d . U . . .
H9 H 0.371845 0.543306 1.007236 0.101 Uiso 1 1 calc R . . . .
C10 C 0.3466(14) 0.297(4) 0.9499(8) 0.093(6) Uani 1 1 d . U . . .
C11 C 0.3646(12) 0.241(3) 0.8963(8) 0.100(6) Uani 1 1 d . U . . .
H11 H 0.337559 0.107120 0.881445 0.120 Uiso 1 1 calc R . . . .
C12 C 0.4204(11) 0.370(3) 0.8623(7) 0.084(5) Uani 1 1 d . U . . .
H12 H 0.430389 0.321069 0.825784 0.101 Uiso 1 1 calc R . . . .
C13 C 0.2877(12) 0.150(3) 0.9883(7) 0.113(7) Uani 1 1 d . U . . .
H13A H 0.218079 0.179503 0.980561 0.170 Uiso 1 1 calc GR . . . .
H13B H 0.307023 0.185318 1.027249 0.170 Uiso 1 1 calc GR . . . .
H13C H 0.300930 -0.006037 0.981320 0.170 Uiso 1 1 calc GR . . . .
C14 C 0.3572(13) 0.774(3) 0.7304(8) 0.096(6) Uani 1 1 d . U . . .
C15 C 0.2899(13) 0.870(3) 0.7651(7) 0.105(6) Uani 1 1 d . U . . .
H15 H 0.302855 1.009861 0.782216 0.126 Uiso 1 1 calc R . . . .
C16 C 0.2012(16) 0.751(4) 0.7737(9) 0.139(8) Uani 1 1 d . U . . .
H16 H 0.155677 0.822860 0.795301 0.167 Uiso 1 1 calc R . . . .
C17 C 0.1763(17) 0.541(4) 0.7532(11) 0.128(8) Uani 1 1 d . U . . .
C18 C 0.2411(16) 0.451(4) 0.7171(10) 0.140(9) Uani 1 1 d . U . . .
H18 H 0.226541 0.313121 0.699374 0.168 Uiso 1 1 calc R . . . .
C19 C 0.3312(15) 0.567(3) 0.7066(9) 0.126(8) Uani 1 1 d . U . . .
H19 H 0.374054 0.500335 0.682668 0.151 Uiso 1 1 calc R . . . .
C20 C 0.0786(13) 0.426(4) 0.7633(9) 0.178(10) Uani 1 1 d . U . . .
H20A H 0.081241 0.370296 0.801547 0.267 Uiso 1 1 calc GR . . . .
H20B H 0.067528 0.302500 0.737337 0.267 Uiso 1 1 calc GR . . . .
H20C H 0.025369 0.532875 0.757554 0.267 Uiso 1 1 calc GR . . . .
C21 C 0.4939(11) 0.568(2) 0.5858(6) 0.060(4) Uani 1 1 d . U . . .
C22 C 0.4643(12) 0.361(3) 0.5996(7) 0.081(5) Uani 1 1 d . U . . .
H22 H 0.500648 0.282896 0.628342 0.098 Uiso 1 1 calc R . . . .
C23 C 0.3814(12) 0.258(3) 0.5726(6) 0.083(5) Uani 1 1 d . U . . .
H23 H 0.361543 0.115705 0.584030 0.099 Uiso 1 1 calc R . . . .
C24 C 0.3278(12) 0.370(3) 0.5278(7) 0.079(5) Uani 1 1 d . U . . .
C25 C 0.3610(12) 0.578(3) 0.5129(7) 0.078(5) Uani 1 1 d . U . . .
H25 H 0.327694 0.651338 0.482255 0.094 Uiso 1 1 calc R . . . .
C26 C 0.4412(11) 0.686(3) 0.5409(6) 0.067(4) Uani 1 1 d . U . . .
H26 H 0.459786 0.830396 0.530669 0.081 Uiso 1 1 calc R . . . .
C27 C 0.2355(10) 0.248(3) 0.4993(6) 0.103(6) Uani 1 1 d . U . . .
H27A H 0.236608 0.092111 0.510419 0.154 Uiso 1 1 calc GR . . . .
H27B H 0.236225 0.258222 0.458797 0.154 Uiso 1 1 calc GR . . . .
H27C H 0.176306 0.318107 0.510963 0.154 Uiso 1 1 calc GR . . . .
C28 C 0.8396(12) 0.440(3) 0.6358(7) 0.077(5) Uani 1 1 d . U . . .
C29 C 0.8979(13) 0.355(3) 0.5958(7) 0.094(6) Uani 1 1 d . U . . .
H29 H 0.879419 0.224019 0.576122 0.113 Uiso 1 1 calc R . . . .
C30 C 0.9865(14) 0.469(3) 0.5850(8) 0.112(7) Uani 1 1 d . U . . .
H30 H 1.029317 0.401483 0.561224 0.135 Uiso 1 1 calc R . . . .
C31 C 1.0119(16) 0.675(4) 0.6079(10) 0.115(7) Uani 1 1 d . U . . .
C32 C 0.9496(12) 0.769(3) 0.6474(7) 0.097(6) Uani 1 1 d . U . . .
H32 H 0.967157 0.902187 0.666421 0.116 Uiso 1 1 calc R . . . .
C33 C 0.8602(12) 0.656(3) 0.6574(7) 0.089(6) Uani 1 1 d . U . . .
H33 H 0.814281 0.727429 0.678764 0.106 Uiso 1 1 calc R . . . .
C34 C 1.1057(13) 0.806(4) 0.5984(8) 0.165(9) Uani 1 1 d . U . . .
H34A H 1.162046 0.707178 0.603011 0.248 Uiso 1 1 calc GR . . . .
H34B H 1.113600 0.926686 0.625560 0.248 Uiso 1 1 calc GR . . . .
H34C H 1.100810 0.867702 0.560780 0.248 Uiso 1 1 calc GR . . . .
C35 C 0.7970(12) 0.417(3) 0.8839(7) 0.083(5) Uani 1 1 d . U . . .
C36 C 0.8344(13) 0.627(3) 0.8714(8) 0.110(7) Uani 1 1 d . U . . .
H36 H 0.791543 0.733321 0.853936 0.132 Uiso 1 1 calc R . . . .
C37 C 0.9349(13) 0.687(4) 0.8839(8) 0.112(7) Uani 1 1 d . U . . .
H37 H 0.958410 0.824763 0.871890 0.134 Uiso 1 1 calc R . . . .
C38 C 0.9993(17) 0.536(4) 0.9147(10) 0.126(8) Uani 1 1 d . U . . .
C39 C 0.9543(15) 0.337(4) 0.9295(8) 0.121(8) Uani 1 1 d . U . . .
H39 H 0.993786 0.236271 0.951313 0.145 Uiso 1 1 calc R . . . .
C40 C 0.8597(14) 0.274(3) 0.9160(7) 0.105(6) Uani 1 1 d . U . . .
H40 H 0.836816 0.135275 0.928043 0.126 Uiso 1 1 calc R . . . .
C41 C 1.1068(13) 0.617(3) 0.9274(8) 0.171(10) Uani 1 1 d . U . . .
H41A H 1.125755 0.709286 0.896653 0.256 Uiso 1 1 calc GR . . . .
H41B H 1.150172 0.488706 0.931616 0.256 Uiso 1 1 calc GR . . . .
H41C H 1.111616 0.703482 0.961811 0.256 Uiso 1 1 calc GR . . . .
C42 C 0.7623(12) 0.135(3) 0.7705(6) 0.071(5) Uani 1 1 d D U . . .
H42 H 0.733919 0.007957 0.785757 0.086 Uiso 1 1 calc R . . . .
C43 C 0.8508(12) 0.126(3) 0.7637(7) 0.111(7) Uani 1 1 d D U . . .
H43A H 0.882334 0.249595 0.748636 0.133 Uiso 1 1 calc R . . . .
H43B H 0.886806 -0.003391 0.773673 0.133 Uiso 1 1 calc R . . . .
S1 S 0.6729(3) 0.3400(8) 0.87012(18) 0.0889(16) Uani 1 1 d . U . . .
S2 S 0.5281(3) 0.7689(8) 0.84315(19) 0.0924(16) Uani 1 1 d . U . . .
S3 S 0.4665(4) 0.9024(8) 0.7151(2) 0.1042(18) Uani 1 1 d . U . . .
S4 S 0.5981(3) 0.7214(8) 0.61874(18) 0.0839(15) Uani 1 1 d . U . . .
S5 S 0.7320(3) 0.2789(8) 0.64306(18) 0.0892(15) Uani 1 1 d . U . . .


_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
C1 C2 1.395(19) . ?
C1 C6 1.419(18) . ?
C1 S1 1.775(15) . ?
C2 C3 1.414(17) . ?
C2 S2 1.756(16) . ?
C3 C4 1.380(18) . ?
C3 S3 1.789(14) . ?
C4 C5 1.501(19) . ?
C4 S4 1.751(16) . ?
C5 C6 1.406(17) . ?
C5 S5 1.793(14) . ?
C6 C42 1.508(19) . ?
C7 C8 1.407(19) . ?
C7 C12 1.40(2) . ?
C7 S2 1.765(16) . ?
C8 C9 1.43(2) . ?
C9 C10 1.38(2) . ?
C10 C11 1.35(2) . ?
C10 C13 1.52(2) . ?
C11 C12 1.376(19) . ?
C14 C15 1.39(2) . ?
C14 C19 1.38(2) . ?
C14 S3 1.724(18) . ?
C15 C16 1.42(2) . ?
C16 C17 1.37(3) . ?
C17 C18 1.38(3) . ?
C17 C20 1.52(2) . ?
C18 C19 1.44(2) . ?
C21 C22 1.341(17) . ?
C21 C26 1.415(18) . ?
C21 S4 1.800(15) . ?
C22 C23 1.386(18) . ?
C23 C24 1.403(19) . ?
C24 C25 1.37(2) . ?
C24 C27 1.55(2) . ?
C25 C26 1.381(18) . ?
C28 C29 1.373(19) . ?
C28 C33 1.40(2) . ?
C28 S5 1.760(16) . ?
C29 C30 1.42(2) . ?
C30 C31 1.36(2) . ?
C31 C32 1.42(2) . ?
C31 C34 1.52(2) . ?
C32 C33 1.415(19) . ?
C35 C36 1.38(2) . ?
C35 C40 1.385(19) . ?
C35 S1 1.744(16) . ?
C36 C37 1.41(2) . ?
C37 C38 1.41(2) . ?
C38 C39 1.38(3) . ?
C38 C41 1.54(2) . ?
C39 C40 1.35(2) . ?
C42 C43 1.220(15) . ?

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
C2 C1 C6 121.9(15) . . ?
C2 C1 S1 121.3(13) . . ?
C6 C1 S1 116.7(13) . . ?
C1 C2 C3 119.2(15) . . ?
C1 C2 S2 121.3(13) . . ?
C3 C2 S2 118.8(13) . . ?
C2 C3 S3 120.1(12) . . ?
C4 C3 C2 123.3(15) . . ?
C4 C3 S3 116.4(12) . . ?
C3 C4 C5 116.1(14) . . ?
C3 C4 S4 124.2(14) . . ?
C5 C4 S4 119.2(12) . . ?
C4 C5 S5 117.7(11) . . ?
C6 C5 C4 121.2(14) . . ?
C6 C5 S5 120.6(13) . . ?
C1 C6 C42 120.1(14) . . ?
C5 C6 C1 118.1(15) . . ?
C5 C6 C42 121.8(15) . . ?
C8 C7 S2 116.2(13) . . ?
C12 C7 C8 116.7(16) . . ?
C12 C7 S2 126.7(14) . . ?
C7 C8 C9 120.3(17) . . ?
C10 C9 C8 120.9(18) . . ?
C9 C10 C13 118.4(18) . . ?
C11 C10 C9 117(2) . . ?
C11 C10 C13 124(2) . . ?
C10 C11 C12 124(2) . . ?
C11 C12 C7 120.5(17) . . ?
C15 C14 S3 123.4(17) . . ?
C19 C14 C15 117(2) . . ?
C19 C14 S3 120.1(16) . . ?
C14 C15 C16 118.5(19) . . ?
C17 C16 C15 126(2) . . ?
C16 C17 C18 115(2) . . ?
C16 C17 C20 123(2) . . ?
C18 C17 C20 122(2) . . ?
C17 C18 C19 121(2) . . ?
C14 C19 C18 123(2) . . ?
C22 C21 C26 119.4(15) . . ?
C22 C21 S4 126.5(13) . . ?
C26 C21 S4 114.1(11) . . ?
C21 C22 C23 122.5(16) . . ?
C22 C23 C24 119.4(16) . . ?
C23 C24 C27 117.3(16) . . ?
C25 C24 C23 117.4(17) . . ?
C25 C24 C27 125.3(17) . . ?
C24 C25 C26 123.6(17) . . ?
C25 C26 C21 117.6(14) . . ?
C29 C28 C33 118.7(17) . . ?
C29 C28 S5 112.9(15) . . ?
C33 C28 S5 127.2(13) . . ?
C28 C29 C30 119.1(18) . . ?
C31 C30 C29 123(2) . . ?
C30 C31 C32 118(2) . . ?
C30 C31 C34 126(2) . . ?
C32 C31 C34 116(2) . . ?
C33 C32 C31 119(2) . . ?
C28 C33 C32 121.2(17) . . ?
C36 C35 C40 116.8(17) . . ?
C36 C35 S1 124.0(14) . . ?
C40 C35 S1 118.6(15) . . ?
C35 C36 C37 122.8(18) . . ?
C38 C37 C36 120(2) . . ?
C37 C38 C41 116(2) . . ?
C39 C38 C37 114(2) . . ?
C39 C38 C41 130(2) . . ?
C40 C39 C38 127(2) . . ?
C39 C40 C35 119.2(19) . . ?
C43 C42 C6 126.0(17) . . ?
C35 S1 C1 102.2(8) . . ?
C2 S2 C7 106.4(8) . . ?
C14 S3 C3 104.1(8) . . ?
C4 S4 C21 101.0(7) . . ?
C28 S5 C5 102.1(7) . . ?

_olex2_exptl_crystal_mounting_method 'fomblin oil'
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 5.475
_oxdiff_exptl_absorpt_empirical_full_min 0.390
_vrf_PLAT026_a5-dl_r2            
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low .. 28% Check
RESPONSE: this is due to general quality of the samples 
(tiny and poorly diffracting) and the difficulty of finding
crystals of suitable size.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_A5CHO_RT
_database_code_depnum_ccdc_archive 'CCDC 1958554'
loop_
_audit_author_name
_audit_author_address
"simone d'agostino"
;university of bologna
Italy
;
_audit_update_record             
;
2020-01-16 deposited with the CCDC.	2020-01-23 downloaded from the CCDC.
;
_audit_creation_date             2020-01-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H36 O S5'
_chemical_formula_sum            'C42 H36 O S5'
_chemical_formula_weight         717.01
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         c1
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   13.174(2)
_cell_length_b                   5.8936(10)
_cell_length_c                   23.803(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.469(12)
_cell_angle_gamma                90
_cell_volume                     1842.6(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    548
_cell_measurement_temperature    300
_cell_measurement_theta_max      25.9210
_cell_measurement_theta_min      3.6490
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.973
_exptl_absorpt_coefficient_mu    0.347
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             752
_exptl_crystal_recrystallization_method 'slow evaporation'
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1298
_diffrn_reflns_av_unetI/netI     0.2633
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7181
_diffrn_reflns_point_group_measured_fraction_full 0.659
_diffrn_reflns_point_group_measured_fraction_max 0.659
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         3.283
_diffrn_ambient_temperature      300
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1340
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -48.00  51.00   1.00  425.00    --  -16.28  19.00 150.00   99
  2  ω    -34.00  -8.00   1.00  425.00    --  -16.28 -77.00 120.00   26
  3  ω      0.00  69.00   1.00  425.00    --   17.77  38.00  30.00   69
  4  ω     10.00  35.00   1.00  425.00    --   17.77  77.00  30.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0516228000
_diffrn_orient_matrix_UB_12      -0.0106353000
_diffrn_orient_matrix_UB_13      0.0106965000
_diffrn_orient_matrix_UB_21      0.0016299000
_diffrn_orient_matrix_UB_22      -0.1107739000
_diffrn_orient_matrix_UB_23      -0.0114188000
_diffrn_orient_matrix_UB_31      0.0158366000
_diffrn_orient_matrix_UB_32      0.0455837000
_diffrn_orient_matrix_UB_33      -0.0254887000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\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         0.194
_reflns_Friedel_fraction_full    0.240
_reflns_Friedel_fraction_max     0.240
_reflns_number_gt                1402
_reflns_number_total             4244
_reflns_odcompleteness_completeness 99.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.211
_refine_diff_density_min         -0.216
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.3(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         4244
_refine_ls_number_restraints     394
_refine_ls_R_factor_all          0.2608
_refine_ls_R_factor_gt           0.0786
_refine_ls_restrained_S_all      0.929
_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/[σ²(Fo²)+(0.0101P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1051
_refine_ls_wR_factor_ref         0.1622
_refine_special_details          
'poorly diffracting crystals, low data to parameter ratio was improved by applying the RIGU restraints to the non-H atoms'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C42-O1B
 1.2 with sigma of 0.02
 C42-O1A
 1.2 with sigma of 0.02
 C1-O1A
 2.4 with sigma of 0.04
 C1-O1B
 2.4 with sigma of 0.04
3. Restrained planarity
 C42, H42, O1B, O1A, H42A
 with sigma of 0.1
4. Rigid body (RIGU) restrains
 C1, C2, C3, C4, C5, C6, C42, O1B, O1A, S1, S2, S3, S4, S5, C7, C8, C9, C10,
 C11, C12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25, C26,
  C27, C28, C29, C30, C31, C32, C33, C34, C35, C36, C37, C38, C39, C40, C41
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: H42A(0.5) H42(0.5) O1B(0.5) O1A(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C26(H26), C22(H22), C25(H25), C42(H42A), C42(H42), C11(H11), C12(H12), C8(H8),
  C32(H32), C23(H23), C19(H19), C29(H29), C9(H9), C18(H18), C33(H33), C16(H16),
 C39(H39), C15(H15), C36(H36), C30(H30), C40(H40), C37(H37)
6.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C27(H27A,H27B,H27C), C13(H13A,H13B,H13C), C34(H34A,H34B,
 H34C), C41(H41A,H41B,H41C)
;
_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
S2 S 0.5114(3) 0.2371(9) 0.84062(16) 0.0914(17) Uani 1 1 d . U . . .
S4 S 0.5940(3) 0.2808(10) 0.61956(15) 0.0835(16) Uani 1 1 d . U . . .
S5 S 0.7355(3) 0.7204(10) 0.64695(15) 0.0882(17) Uani 1 1 d . U . . .
S3 S 0.4479(4) 0.1112(9) 0.71273(17) 0.0935(16) Uani 1 1 d . U . . .
S1 S 0.6646(3) 0.6654(11) 0.86868(15) 0.100(2) Uani 1 1 d . U . . .
C7 C 0.4477(12) 0.433(3) 0.8819(6) 0.069(5) Uani 1 1 d . U . . .
C2 C 0.6369(12) 0.571(3) 0.7977(5) 0.069(5) Uani 1 1 d . U . . .
C10 C 0.3414(13) 0.708(4) 0.9531(8) 0.084(6) Uani 1 1 d . U . . .
C6 C 0.6751(11) 0.581(3) 0.7007(6) 0.076(5) Uani 1 1 d . U . . .
C24 C 0.3206(13) 0.625(4) 0.5246(7) 0.075(5) Uani 1 1 d . U . . .
C21 C 0.4897(12) 0.416(3) 0.5849(5) 0.062(4) Uani 1 1 d . U . . .
C26 C 0.4388(11) 0.313(3) 0.5387(5) 0.068(5) Uani 1 1 d . U . . .
H26 H 0.462089 0.175198 0.525921 0.082 Uiso 1 1 calc R . . . .
C22 C 0.4577(11) 0.636(3) 0.5980(6) 0.072(5) Uani 1 1 d . U . . .
H22 H 0.493990 0.719302 0.625964 0.086 Uiso 1 1 calc R . . . .
C4 C 0.5452(11) 0.323(3) 0.7302(6) 0.061(4) Uani 1 1 d . U . . .
C3 C 0.5635(12) 0.392(3) 0.7871(6) 0.070(5) Uani 1 1 d . U . . .
C17 C 0.1616(15) 0.494(4) 0.7528(8) 0.090(6) Uani 1 1 d . U . . .
C25 C 0.3529(14) 0.413(3) 0.5109(6) 0.080(5) Uani 1 1 d . U . . .
H25 H 0.316683 0.333720 0.482200 0.096 Uiso 1 1 calc R . . . .
C42 C 0.7585(17) 0.838(4) 0.7672(8) 0.095(8) Uani 1 1 d D U . . .
H42A H 0.825767 0.789500 0.767267 0.114 Uiso 0.5 1 calc R . P A 2
H42 H 0.726007 0.953518 0.785389 0.114 Uiso 0.5 1 calc R . P B 1
C11 C 0.3513(12) 0.772(4) 0.8966(6) 0.093(6) Uani 1 1 d . U . . .
H11 H 0.322575 0.907566 0.883043 0.112 Uiso 1 1 calc R . . . .
C1 C 0.6840(11) 0.653(3) 0.7546(6) 0.067(5) Uani 1 1 d D U . . .
C12 C 0.4037(12) 0.634(3) 0.8612(6) 0.081(5) Uani 1 1 d . U . . .
H12 H 0.409430 0.676610 0.823940 0.097 Uiso 1 1 calc R . . . .
C14 C 0.3377(14) 0.263(3) 0.7308(7) 0.077(5) Uani 1 1 d . U . . .
C28 C 0.8407(13) 0.553(3) 0.6379(6) 0.069(5) Uani 1 1 d . U . . .
C5 C 0.6012(12) 0.392(3) 0.6895(6) 0.072(5) Uani 1 1 d . U . . .
C8 C 0.4376(11) 0.370(3) 0.9368(5) 0.072(5) Uani 1 1 d . U . . .
H8 H 0.467136 0.236763 0.951054 0.087 Uiso 1 1 calc R . . . .
C32 C 0.9490(12) 0.221(4) 0.6554(6) 0.086(5) Uani 1 1 d . U . . .
H32 H 0.961367 0.085794 0.675053 0.103 Uiso 1 1 calc R . . . .
C23 C 0.3741(12) 0.726(3) 0.5698(6) 0.077(5) Uani 1 1 d . U . . .
H23 H 0.351307 0.865461 0.581939 0.093 Uiso 1 1 calc R . . . .
C35 C 0.7941(13) 0.592(4) 0.8818(6) 0.085(5) Uani 1 1 d . U . . .
C19 C 0.3155(15) 0.467(3) 0.7078(7) 0.095(6) Uani 1 1 d . U . . .
H19 H 0.360722 0.535079 0.684765 0.114 Uiso 1 1 calc R . . . .
C29 C 0.9105(12) 0.630(3) 0.6008(5) 0.084(5) Uani 1 1 d . U . . .
H29 H 0.901708 0.769335 0.582876 0.101 Uiso 1 1 calc R . . . .
C9 C 0.3832(15) 0.507(3) 0.9703(7) 0.090(6) Uani 1 1 d . U . . .
H9 H 0.374636 0.459049 1.006859 0.109 Uiso 1 1 calc R . . . .
C18 C 0.2265(13) 0.577(4) 0.7181(7) 0.102(6) Uani 1 1 d . U . . .
H18 H 0.211359 0.714310 0.700075 0.123 Uiso 1 1 calc R . . . .
C33 C 0.8634(13) 0.348(3) 0.6647(7) 0.079(5) Uani 1 1 d . U . . .
H33 H 0.818968 0.292584 0.690011 0.095 Uiso 1 1 calc R . . . .
C16 C 0.1825(16) 0.275(4) 0.7749(8) 0.117(7) Uani 1 1 d . U . . .
H16 H 0.135679 0.202891 0.796177 0.141 Uiso 1 1 calc R . . . .
C39 C 0.9590(17) 0.653(5) 0.9287(9) 0.132(9) Uani 1 1 d . U . . .
H39 H 1.003087 0.745244 0.950774 0.158 Uiso 1 1 calc R . . . .
C15 C 0.2708(13) 0.169(4) 0.7650(7) 0.100(6) Uani 1 1 d . U . . .
H15 H 0.286067 0.029379 0.781973 0.120 Uiso 1 1 calc R . . . .
C36 C 0.8322(13) 0.379(4) 0.8620(6) 0.092(6) Uani 1 1 d . U . . .
H36 H 0.789925 0.281112 0.840393 0.110 Uiso 1 1 calc R . . . .
C20 C 0.0644(12) 0.623(4) 0.7631(7) 0.127(7) Uani 1 1 d . U . . .
H20A H 0.072110 0.694975 0.799341 0.190 Uiso 1 1 calc GR . . . .
H20B H 0.008117 0.519105 0.762019 0.190 Uiso 1 1 calc GR . . . .
H20C H 0.051768 0.736048 0.734370 0.190 Uiso 1 1 calc GR . . . .
C30 C 0.9953(16) 0.489(4) 0.5909(8) 0.109(7) Uani 1 1 d . U . . .
H30 H 1.038602 0.538875 0.564394 0.131 Uiso 1 1 calc R . . . .
C27 C 0.2274(10) 0.728(4) 0.4934(6) 0.111(7) Uani 1 1 d . U . . .
H27A H 0.247664 0.817060 0.462451 0.167 Uiso 1 1 calc GR . . . .
H27B H 0.192823 0.822797 0.518564 0.167 Uiso 1 1 calc GR . . . .
H27C H 0.182590 0.608842 0.479402 0.167 Uiso 1 1 calc GR . . . .
C31 C 1.0176(17) 0.293(5) 0.6167(10) 0.131(9) Uani 1 1 d . U . . .
C13 C 0.2854(12) 0.859(3) 0.9924(6) 0.132(8) Uani 1 1 d . U . . .
H13A H 0.332672 0.963977 1.011058 0.197 Uiso 1 1 calc GR . . . .
H13B H 0.255464 0.767294 1.020018 0.197 Uiso 1 1 calc GR . . . .
H13C H 0.232963 0.942023 0.970968 0.197 Uiso 1 1 calc GR . . . .
C38 C 0.9946(19) 0.444(5) 0.9114(10) 0.130(9) Uani 1 1 d . U . . .
C40 C 0.8629(15) 0.728(4) 0.9147(7) 0.113(6) Uani 1 1 d . U . . .
H40 H 0.842710 0.869753 0.926942 0.135 Uiso 1 1 calc R . . . .
C37 C 0.9343(14) 0.325(5) 0.8760(7) 0.125(8) Uani 1 1 d . U . . .
H37 H 0.960939 0.197204 0.859390 0.150 Uiso 1 1 calc R . . . .
C34 C 1.1110(12) 0.157(4) 0.6061(7) 0.141(8) Uani 1 1 d . U . . .
H34A H 1.170332 0.233306 0.622939 0.212 Uiso 1 1 calc GR . . . .
H34B H 1.116264 0.143161 0.566300 0.212 Uiso 1 1 calc GR . . . .
H34C H 1.106128 0.009268 0.622495 0.212 Uiso 1 1 calc GR . . . .
C41 C 1.1044(13) 0.377(4) 0.9291(8) 0.175(12) Uani 1 1 d . U . . .
H41A H 1.149210 0.449017 0.904694 0.263 Uiso 1 1 calc GR . . . .
H41B H 1.111440 0.214882 0.926356 0.263 Uiso 1 1 calc GR . . . .
H41C H 1.121462 0.423591 0.967242 0.263 Uiso 1 1 calc GR . . . .
O1B O 0.752(2) 1.022(4) 0.7768(12) 0.123(10) Uani 0.5 1 d D U P C 2
O1A O 0.8383(17) 0.890(6) 0.7632(13) 0.145(13) Uani 0.5 1 d D U P C 1


_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
S2 C7 1.769(16) . ?
S2 C3 1.750(15) . ?
S4 C21 1.740(16) . ?
S4 C5 1.785(15) . ?
S5 C6 1.762(15) . ?
S5 C28 1.727(17) . ?
S3 C4 1.814(16) . ?
S3 C14 1.785(19) . ?
S1 C2 1.789(14) . ?
S1 C35 1.764(17) . ?
C7 C12 1.40(2) . ?
C7 C8 1.373(17) . ?
C2 C3 1.44(2) . ?
C2 C1 1.332(17) . ?
C10 C11 1.41(2) . ?
C10 C9 1.35(2) . ?
C10 C13 1.52(2) . ?
C6 C1 1.348(17) . ?
C6 C5 1.49(2) . ?
C24 C25 1.37(2) . ?
C24 C23 1.37(2) . ?
C24 C27 1.51(2) . ?
C21 C26 1.381(18) . ?
C21 C22 1.41(2) . ?
C26 H26 0.9300 . ?
C26 C25 1.40(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.351(18) . ?
C4 C3 1.415(17) . ?
C4 C5 1.328(17) . ?
C17 C18 1.33(2) . ?
C17 C16 1.41(3) . ?
C17 C20 1.53(2) . ?
C25 H25 0.9300 . ?
C42 H42A 0.9300 . ?
C42 H42 0.9300 . ?
C42 C1 1.48(2) . ?
C42 O1B 1.117(19) . ?
C42 O1A 1.106(18) . ?
C11 H11 0.9300 . ?
C11 C12 1.393(19) . ?
C12 H12 0.9300 . ?
C14 C19 1.35(2) . ?
C14 C15 1.364(19) . ?
C28 C29 1.398(17) . ?
C28 C33 1.39(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.375(19) . ?
C32 H32 0.9300 . ?
C32 C33 1.386(19) . ?
C32 C31 1.41(2) . ?
C23 H23 0.9300 . ?
C35 C36 1.44(2) . ?
C35 C40 1.40(2) . ?
C19 H19 0.9300 . ?
C19 C18 1.38(2) . ?
C29 H29 0.9300 . ?
C29 C30 1.42(2) . ?
C9 H9 0.9300 . ?
C18 H18 0.9300 . ?
C33 H33 0.9300 . ?
C16 H16 0.9300 . ?
C16 C15 1.36(2) . ?
C39 H39 0.9300 . ?
C39 C38 1.39(3) . ?
C39 C40 1.36(2) . ?
C15 H15 0.9300 . ?
C36 H36 0.9300 . ?
C36 C37 1.40(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C30 H30 0.9300 . ?
C30 C31 1.33(3) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C31 C34 1.50(3) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C38 C37 1.32(3) . ?
C38 C41 1.53(3) . ?
C40 H40 0.9300 . ?
C37 H37 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?

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
C3 S2 C7 107.2(8) . . ?
C21 S4 C5 104.9(7) . . ?
C28 S5 C6 103.6(8) . . ?
C14 S3 C4 100.0(8) . . ?
C35 S1 C2 102.4(7) . . ?
C12 C7 S2 124.1(13) . . ?
C8 C7 S2 116.0(14) . . ?
C8 C7 C12 119.8(17) . . ?
C3 C2 S1 118.7(11) . . ?
C1 C2 S1 122.8(14) . . ?
C1 C2 C3 118.5(15) . . ?
C11 C10 C13 121(2) . . ?
C9 C10 C11 117(2) . . ?
C9 C10 C13 122.0(19) . . ?
C1 C6 S5 122.2(15) . . ?
C1 C6 C5 114.4(14) . . ?
C5 C6 S5 123.0(12) . . ?
C25 C24 C23 115.4(19) . . ?
C25 C24 C27 120(2) . . ?
C23 C24 C27 124.2(19) . . ?
C26 C21 S4 119.6(13) . . ?
C26 C21 C22 116.4(16) . . ?
C22 C21 S4 123.8(13) . . ?
C21 C26 H26 119.4 . . ?
C21 C26 C25 121.2(16) . . ?
C25 C26 H26 119.4 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.9(17) . . ?
C23 C22 H22 120.0 . . ?
C3 C4 S3 118.8(11) . . ?
C5 C4 S3 117.8(13) . . ?
C5 C4 C3 123.2(16) . . ?
C2 C3 S2 123.3(12) . . ?
C4 C3 S2 120.0(13) . . ?
C4 C3 C2 116.1(13) . . ?
C18 C17 C16 117(2) . . ?
C18 C17 C20 120(2) . . ?
C16 C17 C20 123(2) . . ?
C24 C25 C26 121.9(18) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 H25 119.0 . . ?
C1 C42 H42A 113.0 . . ?
C1 C42 H42 108.2 . . ?
O1B C42 H42A 113.0 . . ?
O1B C42 C1 134(3) . . ?
O1A C42 H42 108.2 . . ?
O1A C42 C1 144(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(19) . . ?
C12 C11 H11 119.8 . . ?
C2 C1 C6 127.5(17) . . ?
C2 C1 C42 116.8(16) . . ?
C6 C1 C42 115.7(16) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 C7 119.7(16) . . ?
C11 C12 H12 120.2 . . ?
C19 C14 S3 120.3(17) . . ?
C19 C14 C15 118(2) . . ?
C15 C14 S3 121.1(17) . . ?
C29 C28 S5 118.0(15) . . ?
C33 C28 S5 125.8(14) . . ?
C33 C28 C29 116.2(18) . . ?
C6 C5 S4 115.4(12) . . ?
C4 C5 S4 125.1(15) . . ?
C4 C5 C6 119.5(14) . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.2(18) . . ?
C9 C8 H8 120.4 . . ?
C33 C32 H32 119.5 . . ?
C33 C32 C31 121(2) . . ?
C31 C32 H32 119.5 . . ?
C24 C23 H23 117.7 . . ?
C22 C23 C24 124.6(18) . . ?
C22 C23 H23 117.7 . . ?
C36 C35 S1 120.8(16) . . ?
C40 C35 S1 122.2(17) . . ?
C40 C35 C36 116.9(18) . . ?
C14 C19 H19 119.7 . . ?
C14 C19 C18 121(2) . . ?
C18 C19 H19 119.7 . . ?
C28 C29 H29 120.6 . . ?
C28 C29 C30 118.7(19) . . ?
C30 C29 H29 120.6 . . ?
C10 C9 C8 123.7(19) . . ?
C10 C9 H9 118.2 . . ?
C8 C9 H9 118.2 . . ?
C17 C18 C19 122(2) . . ?
C17 C18 H18 118.8 . . ?
C19 C18 H18 118.8 . . ?
C28 C33 H33 118.5 . . ?
C32 C33 C28 123.0(18) . . ?
C32 C33 H33 118.5 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 C17 120(2) . . ?
C15 C16 H16 120.0 . . ?
C38 C39 H39 118.4 . . ?
C40 C39 H39 118.4 . . ?
C40 C39 C38 123(3) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 C14 121(2) . . ?
C16 C15 H15 119.3 . . ?
C35 C36 H36 120.8 . . ?
C37 C36 C35 118(2) . . ?
C37 C36 H36 120.8 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C29 C30 H30 117.4 . . ?
C31 C30 C29 125(2) . . ?
C31 C30 H30 117.4 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C32 C31 C34 122(2) . . ?
C30 C31 C32 116(3) . . ?
C30 C31 C34 123(2) . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C39 C38 C41 119(3) . . ?
C37 C38 C39 117(3) . . ?
C37 C38 C41 123(3) . . ?
C35 C40 H40 120.0 . . ?
C39 C40 C35 120(2) . . ?
C39 C40 H40 120.0 . . ?
C36 C37 H37 118.2 . . ?
C38 C37 C36 124(2) . . ?
C38 C37 H37 118.2 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?

_olex2_exptl_crystal_mounting_method 'fomblin oil'
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 2.055
_oxdiff_exptl_absorpt_empirical_full_min 0.689
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_A5CHO_100K
_database_code_depnum_ccdc_archive 'CCDC 1958555'
loop_
_audit_author_name
_audit_author_address
"simone d'agostino"
;university of bologna
Italy
;
_audit_update_record             
;
2020-01-17 deposited with the CCDC.	2020-01-23 downloaded from the CCDC.
;
_audit_creation_date             2020-01-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H36 O S5'
_chemical_formula_sum            'C42 H36 O S5'
_chemical_formula_weight         717.01
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'c41 h25 o1 s5'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   12.9947(19)
_cell_length_b                   5.7900(10)
_cell_length_c                   23.584(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.710(12)
_cell_angle_gamma                90
_cell_volume                     1768.4(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    479
_cell_measurement_temperature    100
_cell_measurement_theta_max      18.8840
_cell_measurement_theta_min      3.6720
_shelx_estimated_absorpt_T_max   0.996
_shelx_estimated_absorpt_T_min   0.972
_exptl_absorpt_coefficient_mu    0.362
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92836
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             752
_exptl_crystal_recrystallization_method 'slow evaporation'
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1315
_diffrn_reflns_av_unetI/netI     0.3135
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            6986
_diffrn_reflns_point_group_measured_fraction_full 0.721
_diffrn_reflns_point_group_measured_fraction_max 0.721
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.194
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1340
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00   2.00   1.00  100.00    --  -16.36 -77.00-120.00   35
  2  ω    -74.00  22.00   1.00  150.00    --  -16.36 -19.00  90.00   96
  3  ω    -19.00  42.00   1.00  150.00    --  -16.36  57.00 -60.00   61
  4  ω      0.00  27.00   1.00  150.00    --   17.45  77.00 150.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0140341000
_diffrn_orient_matrix_UB_12      0.1152453000
_diffrn_orient_matrix_UB_13      -0.0059749000
_diffrn_orient_matrix_UB_21      -0.0484714000
_diffrn_orient_matrix_UB_22      0.0167512000
_diffrn_orient_matrix_UB_23      -0.0155687000
_diffrn_orient_matrix_UB_31      -0.0212797000
_diffrn_orient_matrix_UB_32      0.0379471000
_diffrn_orient_matrix_UB_33      0.0251595000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\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         0.305
_reflns_Friedel_fraction_full    0.379
_reflns_Friedel_fraction_max     0.379
_reflns_number_gt                1657
_reflns_number_total             4476
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.302
_refine_diff_density_min         -0.310
_refine_diff_density_rms         0.074
_refine_ls_abs_structure_details 
;
 Flack x determined using 260 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.1(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         4476
_refine_ls_number_restraints     392
_refine_ls_R_factor_all          0.2577
_refine_ls_R_factor_gt           0.0884
_refine_ls_restrained_S_all      0.918
_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/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1590
_refine_special_details          
'poorly diffracting crystals, low data to parameter ratio was improved by applying the RIGU restraints to the non-H atoms'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C42-O1B
 1.2 with sigma of 0.02
 C42-O1A
 1.2 with sigma of 0.02
 O1B-C1
 2.4 with sigma of 0.04
 O1A-C1
 2.4 with sigma of 0.04
 O1B-O1A
 1.45 with sigma of 0.04
3. Rigid body (RIGU) restrains
 C19, S4, C21, C5, C22, C26, C6, C4, C23, C25, S5, C1, S3, C3, C24, C28, C2,
 C42, C14, S2, C27, C29, C33, S1, O1A, O1B, C15, C7, C30, C32, C35, C18, C16,
 C12, C8, C31, C36, C40, C17, C11, C9, C34, C37, C39, C20, C10, C38, C13, C41
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Fixed Sof: O1A(0.5) H42(0.5) H42A(0.5) O1B(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C22(H22), C11(H11), C19(H19), C23(H23), C9(H9), C16(H16), C26(H26), C36(H36),
 C12(H12), C32(H32), C18(H18), C15(H15), C29(H29), C30(H30), C8(H8), C39(H39),
 C25(H25), C37(H37), C40(H40), C33(H33), C42(H42), C42(H42A)
5.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C20(H20A,H20B,H20C), C27(H27A,H27B,H27C), C41(H41A,H41B,
 H41C), C34(H34A,H34B,H34C)
;
_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
S4 S 0.4058(3) 0.2461(8) 0.38083(15) 0.0420(13) Uani 1 1 d . U . . .
S3 S 0.5542(3) 0.0754(8) 0.28726(16) 0.0493(13) Uani 1 1 d . U . . .
S2 S 0.4922(3) 0.2076(9) 0.15906(16) 0.0523(14) Uani 1 1 d . U . . .
S5 S 0.2644(3) 0.6953(9) 0.35285(15) 0.0478(13) Uani 1 1 d . U . . .
S1 S 0.3394(3) 0.6464(9) 0.13036(16) 0.0548(16) Uani 1 1 d . U . . .
C22 C 0.5433(10) 0.614(3) 0.4027(5) 0.034(4) Uani 1 1 d . U . . .
H22 H 0.505854 0.697943 0.373115 0.041 Uiso 1 1 calc R . . . .
C2 C 0.3656(11) 0.543(3) 0.2005(5) 0.028(3) Uani 1 1 d . U . . .
C11 C 0.6502(11) 0.754(3) 0.1019(6) 0.047(5) Uani 1 1 d . U . . .
H11 H 0.678467 0.894857 0.116770 0.056 Uiso 1 1 calc R . . . .
C19 C 0.6869(13) 0.441(3) 0.2924(7) 0.055(5) Uani 1 1 d . U . . .
H19 H 0.641080 0.508405 0.317125 0.066 Uiso 1 1 calc R . . . .
C1 C 0.3164(10) 0.639(3) 0.2443(6) 0.037(4) Uani 1 1 d D U . . .
C21 C 0.5121(11) 0.392(3) 0.4175(6) 0.030(4) Uani 1 1 d . U . . .
C23 C 0.6300(10) 0.708(3) 0.4321(5) 0.036(4) Uani 1 1 d . U . . .
H23 H 0.654165 0.853033 0.419636 0.043 Uiso 1 1 calc R . . . .
C9 C 0.6163(11) 0.492(3) 0.0281(6) 0.035(4) Uani 1 1 d . U . . .
H9 H 0.620396 0.450861 -0.010669 0.042 Uiso 1 1 calc R . . . .
C14 C 0.6649(11) 0.233(3) 0.2692(6) 0.043(4) Uani 1 1 d . U . . .
C16 C 0.8238(12) 0.257(3) 0.2235(7) 0.055(5) Uani 1 1 d . U . . .
H16 H 0.870789 0.190645 0.199250 0.067 Uiso 1 1 calc R . . . .
C26 C 0.5629(11) 0.284(3) 0.4629(5) 0.040(4) Uani 1 1 d . U . . .
H26 H 0.540497 0.135548 0.473877 0.048 Uiso 1 1 calc R . . . .
C36 C 0.1683(12) 0.363(3) 0.1365(6) 0.052(5) Uani 1 1 d . U . . .
H36 H 0.211109 0.264390 0.160491 0.063 Uiso 1 1 calc R . . . .
C6 C 0.3285(11) 0.551(3) 0.3000(6) 0.034(4) Uani 1 1 d . U . . .
C12 C 0.5983(11) 0.615(3) 0.1372(6) 0.042(4) Uani 1 1 d . U . . .
H12 H 0.592133 0.661194 0.175422 0.050 Uiso 1 1 calc R . . . .
C32 C 0.0455(11) 0.187(3) 0.3423(5) 0.046(4) Uani 1 1 d . U . . .
H32 H 0.030840 0.047747 0.322110 0.055 Uiso 1 1 calc R . . . .
C17 C 0.8462(14) 0.471(3) 0.2476(7) 0.052(5) Uani 1 1 d . U . . .
C10 C 0.6635(11) 0.701(3) 0.0467(6) 0.041(4) Uani 1 1 d . U . . .
C3 C 0.4409(12) 0.366(3) 0.2132(6) 0.035(4) Uani 1 1 d . U . . .
C24 C 0.6819(12) 0.608(3) 0.4769(6) 0.039(4) Uani 1 1 d . U . . .
C18 C 0.7783(12) 0.562(3) 0.2805(6) 0.054(5) Uani 1 1 d . U . . .
H18 H 0.791059 0.711388 0.296387 0.065 Uiso 1 1 calc R . . . .
C7 C 0.5549(13) 0.409(3) 0.1173(7) 0.047(5) Uani 1 1 d . U . . .
C15 C 0.7342(11) 0.134(3) 0.2336(5) 0.050(5) Uani 1 1 d . U . . .
H15 H 0.720603 -0.012761 0.216757 0.060 Uiso 1 1 calc R . . . .
C4 C 0.4564(10) 0.293(3) 0.2697(6) 0.032(4) Uani 1 1 d . U . . .
C29 C 0.0868(12) 0.607(3) 0.3984(6) 0.054(5) Uani 1 1 d . U . . .
H29 H 0.099431 0.749727 0.417440 0.064 Uiso 1 1 calc R . . . .
C5 C 0.4006(12) 0.376(3) 0.3127(6) 0.036(4) Uani 1 1 d . U . . .
O1A O 0.1631(14) 0.877(4) 0.2340(10) 0.054(7) Uani 0.5 1 d D U P A 1
C28 C 0.1545(12) 0.521(3) 0.3598(6) 0.039(4) Uani 1 1 d . U . . .
C30 C -0.0001(14) 0.473(3) 0.4075(6) 0.057(5) Uani 1 1 d . U . . .
H30 H -0.047713 0.527800 0.432825 0.069 Uiso 1 1 calc R . . . .
C31 C -0.0181(13) 0.266(3) 0.3810(6) 0.052(5) Uani 1 1 d . U . . .
C8 C 0.5651(11) 0.345(3) 0.0613(6) 0.046(5) Uani 1 1 d . U . . .
H8 H 0.537385 0.202915 0.046467 0.055 Uiso 1 1 calc R . . . .
C39 C 0.0410(13) 0.651(4) 0.0695(7) 0.068(6) Uani 1 1 d . U . . .
H39 H -0.001339 0.751738 0.045951 0.082 Uiso 1 1 calc R . . . .
C38 C 0.0036(13) 0.449(4) 0.0872(8) 0.058(5) Uani 1 1 d . U . . .
C25 C 0.6461(12) 0.386(3) 0.4931(6) 0.044(4) Uani 1 1 d . U . . .
H25 H 0.679956 0.308527 0.524856 0.053 Uiso 1 1 calc R . . . .
C35 C 0.2071(12) 0.571(3) 0.1175(6) 0.048(4) Uani 1 1 d . U . . .
C13 C 0.7144(12) 0.847(3) 0.0059(6) 0.066(6) Uani 1 1 d . U . . .
H13A H 0.713923 1.007908 0.018472 0.100 Uiso 1 1 calc GR . . . .
H13B H 0.677193 0.833479 -0.031810 0.100 Uiso 1 1 calc GR . . . .
H13C H 0.785868 0.795105 0.004000 0.100 Uiso 1 1 calc GR . . . .
C20 C 0.9416(11) 0.599(3) 0.2354(6) 0.068(6) Uani 1 1 d . U . . .
H20A H 0.994945 0.489187 0.225984 0.101 Uiso 1 1 calc GR . . . .
H20B H 0.966632 0.688920 0.268956 0.101 Uiso 1 1 calc GR . . . .
H20C H 0.925852 0.703835 0.203160 0.101 Uiso 1 1 calc GR . . . .
C27 C 0.7746(11) 0.710(4) 0.5083(5) 0.055(5) Uani 1 1 d . U . . .
H27A H 0.836798 0.652677 0.491971 0.083 Uiso 1 1 calc GR . . . .
H27B H 0.776549 0.664664 0.548417 0.083 Uiso 1 1 calc GR . . . .
H27C H 0.771779 0.878277 0.505220 0.083 Uiso 1 1 calc GR . . . .
C37 C 0.0673(12) 0.300(3) 0.1205(7) 0.057(5) Uani 1 1 d . U . . .
H37 H 0.041540 0.155968 0.132308 0.068 Uiso 1 1 calc R . . . .
C40 C 0.1411(13) 0.709(4) 0.0861(6) 0.058(5) Uani 1 1 d . U . . .
H40 H 0.165498 0.855168 0.074882 0.070 Uiso 1 1 calc R . . . .
C41 C -0.1066(12) 0.376(4) 0.0718(7) 0.089(8) Uani 1 1 d . U . . .
H41A H -0.152053 0.452959 0.096998 0.133 Uiso 1 1 calc GR . . . .
H41B H -0.112494 0.207948 0.076106 0.133 Uiso 1 1 calc GR . . . .
H41C H -0.126799 0.418654 0.032251 0.133 Uiso 1 1 calc GR . . . .
C34 C -0.1158(11) 0.127(3) 0.3904(6) 0.066(6) Uani 1 1 d . U . . .
H34A H -0.169318 0.161139 0.359779 0.099 Uiso 1 1 calc GR . . . .
H34B H -0.140788 0.169539 0.427062 0.099 Uiso 1 1 calc GR . . . .
H34C H -0.099835 -0.038412 0.390283 0.099 Uiso 1 1 calc GR . . . .
C33 C 0.1332(12) 0.318(3) 0.3331(6) 0.049(5) Uani 1 1 d . U . . .
H33 H 0.179492 0.262027 0.307186 0.058 Uiso 1 1 calc R . . . .
C42 C 0.2444(15) 0.824(3) 0.2310(8) 0.063(6) Uani 1 1 d D U . . .
H42 H 0.279328 0.944584 0.213193 0.075 Uiso 0.5 1 calc R . P A 1
H42A H 0.175022 0.770800 0.227315 0.075 Uiso 0.5 1 calc R . P A 2
O1B O 0.2497(18) 1.015(3) 0.2240(9) 0.053(7) Uani 0.5 1 d D U P A 2


_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
S4 C21 1.782(15) . ?
S4 C5 1.770(14) . ?
S3 C14 1.785(16) . ?
S3 C4 1.814(16) . ?
S2 C3 1.748(15) . ?
S2 C7 1.766(16) . ?
S5 C6 1.765(14) . ?
S5 C28 1.768(16) . ?
S1 C2 1.766(13) . ?
S1 C35 1.776(16) . ?
C22 H22 0.9500 . ?
C22 C21 1.40(2) . ?
C22 C23 1.387(17) . ?
C2 C1 1.377(17) . ?
C2 C3 1.43(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.372(18) . ?
C11 C10 1.361(17) . ?
C19 H19 0.9500 . ?
C19 C14 1.34(2) . ?
C19 C18 1.43(2) . ?
C1 C6 1.406(17) . ?
C1 C42 1.44(2) . ?
C21 C26 1.364(18) . ?
C23 H23 0.9500 . ?
C23 C24 1.337(18) . ?
C9 H9 0.9500 . ?
C9 C10 1.41(2) . ?
C9 C8 1.369(19) . ?
C14 C15 1.402(17) . ?
C16 H16 0.9500 . ?
C16 C17 1.38(2) . ?
C16 C15 1.401(19) . ?
C26 H26 0.9500 . ?
C26 C25 1.379(18) . ?
C36 H36 0.9500 . ?
C36 C35 1.39(2) . ?
C36 C37 1.384(19) . ?
C6 C5 1.40(2) . ?
C12 H12 0.9500 . ?
C12 C7 1.39(2) . ?
C32 H32 0.9500 . ?
C32 C31 1.358(18) . ?
C32 C33 1.400(19) . ?
C17 C18 1.33(2) . ?
C17 C20 1.49(2) . ?
C10 C13 1.477(19) . ?
C3 C4 1.396(17) . ?
C24 C25 1.43(2) . ?
C24 C27 1.482(19) . ?
C18 H18 0.9500 . ?
C7 C8 1.390(18) . ?
C15 H15 0.9500 . ?
C4 C5 1.378(18) . ?
C29 H29 0.9500 . ?
C29 C28 1.407(18) . ?
C29 C30 1.40(2) . ?
O1A C42 1.108(17) . ?
C28 C33 1.35(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.36(2) . ?
C31 C34 1.53(2) . ?
C8 H8 0.9500 . ?
C39 H39 0.9500 . ?
C39 C38 1.35(2) . ?
C39 C40 1.368(19) . ?
C38 C37 1.39(2) . ?
C38 C41 1.51(2) . ?
C25 H25 0.9500 . ?
C35 C40 1.35(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C37 H37 0.9500 . ?
C40 H40 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C33 H33 0.9500 . ?
C42 H42 0.9500 . ?
C42 H42A 0.9500 . ?
C42 O1B 1.123(18) . ?

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
C5 S4 C21 102.1(7) . . ?
C14 S3 C4 98.8(7) . . ?
C3 S2 C7 106.4(8) . . ?
C6 S5 C28 103.1(8) . . ?
C2 S1 C35 100.7(7) . . ?
C21 C22 H22 120.8 . . ?
C23 C22 H22 120.8 . . ?
C23 C22 C21 118.5(15) . . ?
C1 C2 S1 120.0(13) . . ?
C1 C2 C3 119.0(13) . . ?
C3 C2 S1 121.0(11) . . ?
C12 C11 H11 118.2 . . ?
C10 C11 H11 118.2 . . ?
C10 C11 C12 123.7(17) . . ?
C14 C19 H19 119.6 . . ?
C14 C19 C18 120.8(17) . . ?
C18 C19 H19 119.6 . . ?
C2 C1 C6 122.1(15) . . ?
C2 C1 C42 118.1(15) . . ?
C6 C1 C42 119.6(14) . . ?
C22 C21 S4 123.0(12) . . ?
C26 C21 S4 117.9(13) . . ?
C26 C21 C22 119.2(15) . . ?
C22 C23 H23 117.9 . . ?
C24 C23 C22 124.2(17) . . ?
C24 C23 H23 117.9 . . ?
C10 C9 H9 117.4 . . ?
C8 C9 H9 117.4 . . ?
C8 C9 C10 125.2(15) . . ?
C19 C14 S3 120.6(13) . . ?
C19 C14 C15 119.0(16) . . ?
C15 C14 S3 120.2(14) . . ?
C17 C16 H16 118.9 . . ?
C17 C16 C15 122.2(17) . . ?
C15 C16 H16 118.9 . . ?
C21 C26 H26 119.5 . . ?
C21 C26 C25 121.1(17) . . ?
C25 C26 H26 119.5 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C37 C36 C35 119.9(18) . . ?
C1 C6 S5 117.7(13) . . ?
C5 C6 S5 122.6(12) . . ?
C5 C6 C1 119.0(13) . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C7 120.4(14) . . ?
C7 C12 H12 119.8 . . ?
C31 C32 H32 120.9 . . ?
C31 C32 C33 118.1(17) . . ?
C33 C32 H32 120.9 . . ?
C16 C17 C20 121.1(17) . . ?
C18 C17 C16 118.0(18) . . ?
C18 C17 C20 120.9(19) . . ?
C11 C10 C9 114.0(15) . . ?
C11 C10 C13 126.3(18) . . ?
C9 C10 C13 119.5(14) . . ?
C2 C3 S2 121.1(11) . . ?
C4 C3 S2 120.4(13) . . ?
C4 C3 C2 117.3(12) . . ?
C23 C24 C25 116.5(16) . . ?
C23 C24 C27 124.1(17) . . ?
C25 C24 C27 119.4(16) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 C19 121.4(19) . . ?
C17 C18 H18 119.3 . . ?
C12 C7 S2 125.0(12) . . ?
C12 C7 C8 118.9(15) . . ?
C8 C7 S2 116.0(14) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 C14 118.6(17) . . ?
C16 C15 H15 120.7 . . ?
C3 C4 S3 118.1(11) . . ?
C5 C4 S3 118.3(12) . . ?
C5 C4 C3 123.6(15) . . ?
C28 C29 H29 121.4 . . ?
C30 C29 H29 121.4 . . ?
C30 C29 C28 117.3(17) . . ?
C6 C5 S4 118.5(11) . . ?
C4 C5 S4 122.5(14) . . ?
C4 C5 C6 118.5(14) . . ?
C29 C28 S5 114.3(14) . . ?
C33 C28 S5 126.1(13) . . ?
C33 C28 C29 119.6(17) . . ?
C29 C30 H30 119.1 . . ?
C31 C30 C29 121.8(16) . . ?
C31 C30 H30 119.1 . . ?
C32 C31 C30 120.7(18) . . ?
C32 C31 C34 118.6(17) . . ?
C30 C31 C34 120.5(16) . . ?
C9 C8 C7 117.8(17) . . ?
C9 C8 H8 121.1 . . ?
C7 C8 H8 121.1 . . ?
C38 C39 H39 120.6 . . ?
C38 C39 C40 119(2) . . ?
C40 C39 H39 120.6 . . ?
C39 C38 C37 119.9(19) . . ?
C39 C38 C41 121.9(19) . . ?
C37 C38 C41 118.2(19) . . ?
C26 C25 C24 120.4(16) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C36 C35 S1 121.9(15) . . ?
C40 C35 S1 120.7(16) . . ?
C40 C35 C36 117.3(17) . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C36 C37 C38 120.0(19) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C39 C40 H40 118.0 . . ?
C35 C40 C39 124(2) . . ?
C35 C40 H40 118.0 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C33 H33 118.8 . . ?
C28 C33 C32 122.4(16) . . ?
C28 C33 H33 118.8 . . ?
C1 C42 H42 108.5 . . ?
C1 C42 H42A 112.0 . . ?
O1A C42 C1 143(2) . . ?
O1A C42 H42 108.5 . . ?
O1B C42 C1 136(3) . . ?
O1B C42 H42A 112.0 . . ?

_olex2_exptl_crystal_mounting_method 'fomblin oil'
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.091
_oxdiff_exptl_absorpt_empirical_full_min 0.934
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_global
_database_code_depnum_ccdc_archive 'CCDC 1958553'
loop_
_audit_author_name
_audit_author_address
"simone d'agostino"
;university of bologna
Italy
;
_audit_update_record             
;
2020-01-16 deposited with the CCDC.	2020-01-23 downloaded from the CCDC.
;
#=============================================================================

_audit_creation_method           Expo2014

_chemical_name_systematic        A5CN_RT
_chemical_formula_moiety         'C42 H35 N S5'
_chemical_formula_sum            'C42 H35 N S5'
_chemical_formula_weight         714.076

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_source
H Hydrogen 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C Carbon 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N Nitrogen 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S Sulphur 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_cell_length_a                   12.931(4)
_cell_length_b                   5.8914(14)
_cell_length_c                   23.919(7)
_cell_angle_alpha                90.000
_cell_angle_beta                 94.154(11)
_cell_angle_gamma                90.000
_cell_volume                     1817.4(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    300

_exptl_crystal_density_diffrn    1.305
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_absorpt_coefficient_mu    3.163
_symmetry_Int_Tables_number      4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_symmetry_space_group_name_hall  'P 2yb'

_diffrn_ambient_temperature      300


_exptl_crystal_description       'polycrystalline powder'
_exptl_crystal_colour            'off-white powder'
_exptl_special_details           'powder data'
_diffrn_radiation_type           'Cu K\a1 and K\a2'
_diffrn_radiation_wavelength     1.54056
_diffrn_measurement_device       'PXRD bragg-brentano'
_diffrn_measurement_device_type  "Panalytical X'pert, xcelerator"
_diffrn_radiation_monochromator  none


loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'

loop_
_atom_site_type_symbol
_atom_site_label
_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
S S1 0.2252 0.6910 0.1419 0.0380 1.0000 Uiso
S S2 0.0971 0.2269 0.1232 0.0380 1.0000 Uiso
S S3 -0.0368 0.0502 0.2211 0.0380 1.0000 Uiso
S S4 0.0298 0.2097 0.3447 0.0380 1.0000 Uiso
S S5 0.1698 0.6679 0.3641 0.0380 1.0000 Uiso
N N1 0.3041 1.0117 0.2680 0.0380 1.0000 Uiso
C C1 -0.1027 0.3319 0.4269 0.0380 1.0000 Uiso
H H1 -0.1047 0.1802 0.4372 0.0456 1.0000 Uiso
C C2 -0.1728 0.4057 0.2043 0.0380 1.0000 Uiso
H H2 -0.1223 0.4692 0.1835 0.0456 1.0000 Uiso
C C3 0.1027 0.3676 0.1896 0.0380 1.0000 Uiso
C C4 0.1692 0.5511 0.1980 0.0380 1.0000 Uiso
C C5 0.1877 0.6429 0.2512 0.0380 1.0000 Uiso
C C6 0.1397 0.5511 0.2959 0.0380 1.0000 Uiso
C C7 0.0731 0.3676 0.2875 0.0380 1.0000 Uiso
C C8 0.0546 0.2759 0.2343 0.0380 1.0000 Uiso
C C9 0.0005 0.3869 0.0833 0.0380 1.0000 Uiso
C C10 -0.0497 0.2833 0.0368 0.0380 1.0000 Uiso
H H3 -0.0309 0.1380 0.0266 0.0456 1.0000 Uiso
C C11 -0.1282 0.3970 0.0056 0.0380 1.0000 Uiso
H H4 -0.1618 0.3277 -0.0255 0.0456 1.0000 Uiso
C C12 -0.1564 0.6143 0.0209 0.0380 1.0000 Uiso
C C13 -0.1062 0.7179 0.0673 0.0380 1.0000 Uiso
H H5 -0.1250 0.8632 0.0776 0.0456 1.0000 Uiso
C C14 -0.0277 0.6042 0.0985 0.0380 1.0000 Uiso
H H6 0.0059 0.6735 0.1296 0.0456 1.0000 Uiso
C C15 0.3404 0.5374 0.1320 0.0380 1.0000 Uiso
C C16 0.3919 0.4470 0.1797 0.0380 1.0000 Uiso
H H7 0.3655 0.4676 0.2144 0.0456 1.0000 Uiso
C C17 0.4830 0.3257 0.1757 0.0380 1.0000 Uiso
H H8 0.5175 0.2652 0.2077 0.0456 1.0000 Uiso
C C18 0.5225 0.2950 0.1239 0.0380 1.0000 Uiso
C C19 0.4710 0.3854 0.0761 0.0380 1.0000 Uiso
H H9 0.4974 0.3649 0.0414 0.0456 1.0000 Uiso
C C20 0.3799 0.5067 0.0801 0.0380 1.0000 Uiso
H H10 0.3454 0.5672 0.0482 0.0456 1.0000 Uiso
C C21 0.3304 0.3566 0.3641 0.0380 1.0000 Uiso
H H11 0.2844 0.2593 0.3446 0.0456 1.0000 Uiso
C C22 0.4305 0.2850 0.3797 0.0380 1.0000 Uiso
H H12 0.4515 0.1398 0.3706 0.0456 1.0000 Uiso
C C23 0.4993 0.4305 0.4090 0.0380 1.0000 Uiso
C C24 0.4680 0.6475 0.4226 0.0380 1.0000 Uiso
H H13 0.5140 0.7448 0.4422 0.0456 1.0000 Uiso
C C25 0.3679 0.7190 0.4070 0.0380 1.0000 Uiso
H H14 0.3469 0.8642 0.4161 0.0456 1.0000 Uiso
C C26 0.2991 0.5736 0.3778 0.0380 1.0000 Uiso
C C27 -0.0469 0.3977 0.3823 0.0380 1.0000 Uiso
C C28 -0.0439 0.6245 0.3669 0.0380 1.0000 Uiso
H H15 -0.0065 0.6685 0.3370 0.0456 1.0000 Uiso
C C29 -0.0967 0.7855 0.3961 0.0380 1.0000 Uiso
H H16 -0.0947 0.9372 0.3858 0.0456 1.0000 Uiso
C C30 -0.1525 0.7197 0.4407 0.0380 1.0000 Uiso
C C31 -0.1556 0.4929 0.4561 0.0380 1.0000 Uiso
H H17 -0.1929 0.4488 0.4859 0.0456 1.0000 Uiso
C C32 -0.1542 0.2010 0.2318 0.0380 1.0000 Uiso
C C33 -0.2297 0.1061 0.2629 0.0380 1.0000 Uiso
H H18 -0.2172 -0.0308 0.2813 0.0456 1.0000 Uiso
C C34 -0.3238 0.2160 0.2664 0.0380 1.0000 Uiso
H H19 -0.3743 0.1526 0.2872 0.0456 1.0000 Uiso
C C35 -0.3424 0.4208 0.2388 0.0380 1.0000 Uiso
C C36 -0.2670 0.5156 0.2078 0.0380 1.0000 Uiso
H H20 -0.2794 0.6526 0.1894 0.0456 1.0000 Uiso
C C37 -0.2423 0.7223 -0.0130 0.0380 1.0000 Uiso
H H21 -0.3051 0.7059 0.0054 0.0456 1.0000 Uiso
H H22 -0.2275 0.8803 -0.0176 0.0456 1.0000 Uiso
H H23 -0.2501 0.6510 -0.0491 0.0456 1.0000 Uiso
C C38 0.6222 0.1670 0.1179 0.0380 1.0000 Uiso
H H24 0.6786 0.2476 0.1370 0.0456 1.0000 Uiso
H H25 0.6341 0.1535 0.0790 0.0456 1.0000 Uiso
H H26 0.6172 0.0186 0.1339 0.0456 1.0000 Uiso
C C39 0.6084 0.3525 0.4267 0.0380 1.0000 Uiso
H H27 0.6546 0.4016 0.3996 0.0456 1.0000 Uiso
H H28 0.6099 0.1902 0.4292 0.0456 1.0000 Uiso
H H29 0.6298 0.4164 0.4625 0.0456 1.0000 Uiso
C C40 -0.2117 0.9001 0.4709 0.0380 1.0000 Uiso
H H30 -0.2836 0.8602 0.4696 0.0456 1.0000 Uiso
H H31 -0.1846 0.9094 0.5092 0.0456 1.0000 Uiso
H H32 -0.2040 1.0440 0.4531 0.0456 1.0000 Uiso
C C41 -0.4414 0.5508 0.2466 0.0380 1.0000 Uiso
H H33 -0.4850 0.5469 0.2125 0.0456 1.0000 Uiso
H H34 -0.4249 0.7052 0.2562 0.0456 1.0000 Uiso
H H35 -0.4769 0.4826 0.2761 0.0456 1.0000 Uiso
C C42 0.2544 0.8541 0.2608 0.0380 1.0000 Uiso

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 C4 1.773433 .
S1 C15 1.773456 .
S2 C3 1.788346 .
S2 C9 1.785228 .
S3 C8 1.791812 .
S3 C32 1.793249 .
S4 C7 1.778134 .
S4 C27 1.774402 .
S5 C6 1.787212 .
S5 C26 1.769807 .
N1 C42 1.135226 .
C1 H1 0.927918 .
C1 C27 1.385814 .
C1 C31 1.387314 .
C2 H2 0.927890 .
C2 C32 1.386348 .
C2 C36 1.387365 .
C3 C4 1.386908 .
C3 C8 1.385001 .
C4 C5 1.387403 .
C5 C6 1.384578 .
C5 C42 1.521886 .
C6 C7 1.387696 .
C7 C8 1.387174 .
C9 C10 1.387949 .
C9 C14 1.386822 .
C10 H3 0.927354 .
C10 C11 1.387914 .
C11 H4 0.928446 .
C11 C12 1.387496 .
C12 C13 1.386114 .
C12 C37 1.471631 .
C13 H5 0.928031 .
C13 C14 1.387914 .
C14 H6 0.928446 .
C15 C16 1.385217 .
C15 C20 1.388003 .
C16 H7 0.928014 .
C16 C17 1.387051 .
C17 H8 0.928688 .
C17 C18 1.385800 .
C18 C19 1.387105 .
C18 C38 1.509364 .
C19 H9 0.927937 .
C19 C20 1.387051 .
C20 H10 0.926801 .
C21 H11 0.927243 .
C21 C22 1.386608 .
C21 C26 1.387372 .
C22 H12 0.928139 .
C22 C23 1.388210 .
C23 C24 1.386758 .
C23 C39 1.514660 .
C24 H13 0.928338 .
C24 C25 1.386429 .
C25 H14 0.928139 .
C25 C26 1.386751 .
C27 C28 1.387300 .
C28 H15 0.928806 .
C28 C29 1.386630 .
C29 H16 0.927918 .
C29 C30 1.385814 .
C30 C31 1.387362 .
C30 C40 1.522331 .
C31 H17 0.926295 .
C32 C33 1.387198 .
C33 H18 0.927370 .
C33 C34 1.386225 .
C34 H19 0.927652 .
C34 C35 1.387967 .
C35 C36 1.384597 .
C35 C41 1.514873 .
C36 H20 0.927702 .
C37 H21 0.956176 .
C37 H22 0.958251 .
C37 H23 0.958962 .
C38 H24 0.958034 .
C38 H25 0.957338 .
C38 H26 0.958436 .
C39 H27 0.957527 .
C39 H28 0.958149 .
C39 H29 0.957724 .
C40 H30 0.957321 .
C40 H31 0.958409 .
C40 H32 0.957102 .
C41 H33 0.957630 .
C41 H34 0.958426 .
C41 H35 0.957594 .

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
C4 S1 C15 104.88 . .
S1 C4 C3 122.38 . .
S1 C4 C5 117.39 . .
S1 C15 C16 116.40 . .
S1 C15 C20 123.57 . .
C3 S2 C9 102.23 . .
S2 C3 C4 118.34 . .
S2 C3 C8 120.88 . .
S2 C9 C10 117.69 . .
S2 C9 C14 122.30 . .
C8 S3 C32 99.30 . .
S3 C8 C3 118.74 . .
S3 C8 C7 121.22 . .
S3 C32 C2 118.87 . .
S3 C32 C33 120.85 . .
C7 S4 C27 106.39 . .
S4 C7 C6 121.52 . .
S4 C7 C8 117.33 . .
S4 C27 C1 123.84 . .
S4 C27 C28 116.05 . .
C6 S5 C26 100.87 . .
S5 C6 C5 118.31 . .
S5 C6 C7 121.60 . .
S5 C26 C21 122.23 . .
S5 C26 C25 117.54 . .
N1 C42 C5 179.94 . .
H1 C1 C27 119.99 . .
H1 C1 C31 120.04 . .
C27 C1 C31 119.97 . .
C1 C27 C28 120.00 . .
C1 C31 C30 120.00 . .
C1 C31 H17 119.92 . .
H2 C2 C32 120.03 . .
H2 C2 C36 119.95 . .
C32 C2 C36 120.02 . .
C2 C32 C33 120.03 . .
C2 C36 C35 119.97 . .
C2 C36 H20 119.98 . .
C4 C3 C8 120.04 . .
C3 C4 C5 120.04 . .
C3 C8 C7 119.93 . .
C4 C5 C6 119.92 . .
C4 C5 C42 121.02 . .
C6 C5 C42 118.93 . .
C5 C6 C7 120.05 . .
C6 C7 C8 120.01 . .
C10 C9 C14 119.96 . .
C9 C10 H3 120.03 . .
C9 C10 C11 120.00 . .
C9 C14 C13 120.03 . .
C9 C14 H6 119.95 . .
H3 C10 C11 119.97 . .
C10 C11 H4 120.01 . .
C10 C11 C12 119.96 . .
H4 C11 C12 120.03 . .
C11 C12 C13 120.05 . .
C11 C12 C37 117.12 . .
C13 C12 C37 122.81 . .
C12 C13 H5 120.15 . .
C12 C13 C14 119.99 . .
C12 C37 H21 109.57 . .
C12 C37 H22 109.52 . .
C12 C37 H23 109.43 . .
H5 C13 C14 119.86 . .
C13 C14 H6 120.01 . .
C16 C15 C20 120.03 . .
C15 C16 H7 120.02 . .
C15 C16 C17 120.09 . .
C15 C20 C19 119.88 . .
C15 C20 H10 119.99 . .
H7 C16 C17 119.89 . .
C16 C17 H8 120.04 . .
C16 C17 C18 119.92 . .
H8 C17 C18 120.04 . .
C17 C18 C19 120.05 . .
C17 C18 C38 121.53 . .
C19 C18 C38 118.41 . .
C18 C19 H9 120.10 . .
C18 C19 C20 120.03 . .
C18 C38 H24 109.45 . .
C18 C38 H25 109.42 . .
C18 C38 H26 109.57 . .
H9 C19 C20 119.87 . .
C19 C20 H10 120.13 . .
H11 C21 C22 119.98 . .
H11 C21 C26 120.07 . .
C22 C21 C26 119.96 . .
C21 C22 H12 120.04 . .
C21 C22 C23 119.98 . .
C21 C26 C25 120.04 . .
H12 C22 C23 119.99 . .
C22 C23 C24 120.03 . .
C22 C23 C39 120.24 . .
C24 C23 C39 119.73 . .
C23 C24 H13 120.03 . .
C23 C24 C25 119.98 . .
C23 C39 H27 109.47 . .
C23 C39 H28 109.54 . .
C23 C39 H29 109.49 . .
H13 C24 C25 119.99 . .
C24 C25 H14 120.01 . .
C24 C25 C26 120.02 . .
H14 C25 C26 119.97 . .
C27 C28 H15 119.96 . .
C27 C28 C29 120.05 . .
H15 C28 C29 119.99 . .
C28 C29 H16 120.06 . .
C28 C29 C30 119.95 . .
H16 C29 C30 119.99 . .
C29 C30 C31 120.03 . .
C29 C30 C40 118.54 . .
C31 C30 C40 121.41 . .
C30 C31 H17 120.07 . .
C30 C40 H30 109.50 . .
C30 C40 H31 109.38 . .
C30 C40 H32 109.59 . .
C32 C33 H18 119.98 . .
C32 C33 C34 119.94 . .
H18 C33 C34 120.08 . .
C33 C34 H19 119.96 . .
C33 C34 C35 120.00 . .
H19 C34 C35 120.04 . .
C34 C35 C36 120.06 . .
C34 C35 C41 119.99 . .
C36 C35 C41 119.75 . .
C35 C36 H20 120.05 . .
C35 C41 H33 109.49 . .
C35 C41 H34 109.51 . .
C35 C41 H35 109.46 . .
H21 C37 H22 109.53 . .
H21 C37 H23 109.44 . .
H22 C37 H23 109.33 . .
H24 C38 H25 109.53 . .
H24 C38 H26 109.44 . .
H25 C38 H26 109.42 . .
H27 C39 H28 109.45 . .
H27 C39 H29 109.42 . .
H28 C39 H29 109.47 . .
H30 C40 H31 109.40 . .
H30 C40 H32 109.58 . .
H31 C40 H32 109.39 . .
H33 C41 H34 109.51 . .
H33 C41 H35 109.48 . .
H34 C41 H35 109.39 . .

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
C15 S1 C4 C3 -87.43 . . . .
C15 S1 C4 C5 97.53 . . . .
C4 S1 C15 C16 -33.99 . . . .
C4 S1 C15 C20 146.44 . . . .
C9 S2 C3 C4 -87.86 . . . .
C9 S2 C3 C8 101.97 . . . .
C3 S2 C9 C10 -158.22 . . . .
C3 S2 C9 C14 19.36 . . . .
C32 S3 C8 C3 -108.28 . . . .
C32 S3 C8 C7 68.00 . . . .
C8 S3 C32 C2 50.44 . . . .
C8 S3 C32 C33 -135.34 . . . .
C27 S4 C7 C6 65.17 . . . .
C27 S4 C7 C8 -127.00 . . . .
C7 S4 C27 C1 173.72 . . . .
C7 S4 C27 C28 -10.10 . . . .
C26 S5 C6 C5 -70.11 . . . .
C26 S5 C6 C7 107.50 . . . .
C6 S5 C26 C21 -41.42 . . . .
C6 S5 C26 C25 143.47 . . . .
H1 C1 C27 S4 -3.96 . . . .
H1 C1 C27 C28 -180.00 . . . .
C31 C1 C27 S4 176.09 . . . .
C31 C1 C27 C28 0.05 . . . .
H1 C1 C31 C30 179.95 . . . .
H1 C1 C31 H17 0.03 . . . .
C27 C1 C31 C30 -0.09 . . . .
C27 C1 C31 H17 180.00 . . . .
H2 C2 C32 S3 -5.74 . . . .
H2 C2 C32 C33 179.98 . . . .
C36 C2 C32 S3 174.18 . . . .
C36 C2 C32 C33 -0.10 . . . .
H2 C2 C36 C35 179.95 . . . .
H2 C2 C36 H20 -0.11 . . . .
C32 C2 C36 C35 0.04 . . . .
C32 C2 C36 H20 179.97 . . . .
S2 C3 C4 S1 14.89 . . . .
S2 C3 C4 C5 -170.20 . . . .
C8 C3 C4 S1 -174.85 . . . .
C8 C3 C4 C5 0.06 . . . .
S2 C3 C8 S3 -13.74 . . . .
S2 C3 C8 C7 169.93 . . . .
C4 C3 C8 S3 176.25 . . . .
C4 C3 C8 C7 -0.08 . . . .
S1 C4 C5 C6 175.16 . . . .
S1 C4 C5 C42 -0.59 . . . .
C3 C4 C5 C6 0.02 . . . .
C3 C4 C5 C42 -175.75 . . . .
C4 C5 C6 S5 177.60 . . . .
C4 C5 C6 C7 -0.05 . . . .
C42 C5 C6 S5 -6.56 . . . .
C42 C5 C6 C7 175.79 . . . .
C4 C5 C42 N1 147.56 . . . .
C6 C5 C42 N1 -28.23 . . . .
S5 C6 C7 S4 -10.03 . . . .
S5 C6 C7 C8 -177.54 . . . .
C5 C6 C7 S4 167.54 . . . .
C5 C6 C7 C8 0.04 . . . .
S4 C7 C8 S3 15.78 . . . .
S4 C7 C8 C3 -167.99 . . . .
C6 C7 C8 S3 -176.20 . . . .
C6 C7 C8 C3 0.03 . . . .
S2 C9 C10 H3 -2.36 . . . .
S2 C9 C10 C11 177.52 . . . .
C14 C9 C10 H3 180.00 . . . .
C14 C9 C10 C11 -0.12 . . . .
S2 C9 C14 C13 -177.41 . . . .
S2 C9 C14 H6 2.49 . . . .
C10 C9 C14 C13 0.12 . . . .
C10 C9 C14 H6 -180.00 . . . .
C9 C10 C11 H4 -180.00 . . . .
C9 C10 C11 C12 0.05 . . . .
H3 C10 C11 H4 -0.09 . . . .
H3 C10 C11 C12 179.93 . . . .
C10 C11 C12 C13 0.03 . . . .
C10 C11 C12 C37 -178.21 . . . .
H4 C11 C12 C13 -179.95 . . . .
H4 C11 C12 C37 1.81 . . . .
C11 C12 C13 H5 -179.96 . . . .
C11 C12 C13 C14 -0.03 . . . .
C37 C12 C13 H5 -1.83 . . . .
C37 C12 C13 C14 178.11 . . . .
C11 C12 C37 H21 98.48 . . . .
C11 C12 C37 H22 -141.35 . . . .
C11 C12 C37 H23 -21.52 . . . .
C13 C12 C37 H21 -79.71 . . . .
C13 C12 C37 H22 40.46 . . . .
C13 C12 C37 H23 160.29 . . . .
C12 C13 C14 C9 -0.04 . . . .
C12 C13 C14 H6 -179.96 . . . .
H5 C13 C14 C9 179.89 . . . .
H5 C13 C14 H6 0.00 . . . .
S1 C15 C16 H7 0.38 . . . .
S1 C15 C16 C17 -179.58 . . . .
C20 C15 C16 H7 179.97 . . . .
C20 C15 C16 C17 0.00 . . . .
S1 C15 C20 C19 179.55 . . . .
S1 C15 C20 H10 -0.46 . . . .
C16 C15 C20 C19 0.00 . . . .
C16 C15 C20 H10 180.00 . . . .
C15 C16 C17 H8 179.96 . . . .
C15 C16 C17 C18 0.02 . . . .
H7 C16 C17 H8 0.00 . . . .
H7 C16 C17 C18 -179.96 . . . .
C16 C17 C18 C19 -0.02 . . . .
C16 C17 C18 C38 179.10 . . . .
H8 C17 C18 C19 -180.00 . . . .
H8 C17 C18 C38 -0.86 . . . .
C17 C18 C19 H9 -180.00 . . . .
C17 C18 C19 C20 0.00 . . . .
C38 C18 C19 H9 0.86 . . . .
C38 C18 C19 C20 -179.13 . . . .
C17 C18 C38 H24 -64.34 . . . .
C17 C18 C38 H25 175.63 . . . .
C17 C18 C38 H26 55.66 . . . .
C19 C18 C38 H24 114.79 . . . .
C19 C18 C38 H25 -5.23 . . . .
C19 C18 C38 H26 -125.20 . . . .
C18 C19 C20 C15 0.00 . . . .
C18 C19 C20 H10 -179.97 . . . .
H9 C19 C20 C15 -180.00 . . . .
H9 C19 C20 H10 0.04 . . . .
H11 C21 C22 H12 0.07 . . . .
H11 C21 C22 C23 -179.86 . . . .
C26 C21 C22 H12 179.92 . . . .
C26 C21 C22 C23 0.00 . . . .
H11 C21 C26 S5 4.96 . . . .
H11 C21 C26 C25 179.95 . . . .
C22 C21 C26 S5 -174.89 . . . .
C22 C21 C26 C25 0.10 . . . .
C21 C22 C23 C24 -0.09 . . . .
C21 C22 C23 C39 179.35 . . . .
H12 C22 C23 C24 179.98 . . . .
H12 C22 C23 C39 -0.57 . . . .
C22 C23 C24 H13 179.97 . . . .
C22 C23 C24 C25 0.10 . . . .
C39 C23 C24 H13 0.54 . . . .
C39 C23 C24 C25 -179.35 . . . .
C22 C23 C39 H27 96.02 . . . .
C22 C23 C39 H28 -23.99 . . . .
C22 C23 C39 H29 -144.04 . . . .
C24 C23 C39 H27 -84.54 . . . .
C24 C23 C39 H28 155.46 . . . .
C24 C23 C39 H29 35.41 . . . .
C23 C24 C25 H14 179.97 . . . .
C23 C24 C25 C26 -0.03 . . . .
H13 C24 C25 H14 0.09 . . . .
H13 C24 C25 C26 -179.90 . . . .
C24 C25 C26 S5 175.13 . . . .
C24 C25 C26 C21 -0.09 . . . .
H14 C25 C26 S5 -4.86 . . . .
H14 C25 C26 C21 179.91 . . . .
S4 C27 C28 H15 3.68 . . . .
S4 C27 C28 C29 -176.34 . . . .
C1 C27 C28 H15 -180.00 . . . .
C1 C27 C28 C29 0.00 . . . .
C27 C28 C29 H16 -180.00 . . . .
C27 C28 C29 C30 0.00 . . . .
H15 C28 C29 H16 0.00 . . . .
H15 C28 C29 C30 180.00 . . . .
C28 C29 C30 C31 -0.04 . . . .
C28 C29 C30 C40 -178.52 . . . .
H16 C29 C30 C31 179.94 . . . .
H16 C29 C30 C40 1.48 . . . .
C29 C30 C31 C1 0.09 . . . .
C29 C30 C31 H17 -180.00 . . . .
C40 C30 C31 C1 178.52 . . . .
C40 C30 C31 H17 -1.56 . . . .
C29 C30 C40 H30 122.33 . . . .
C29 C30 C40 H31 -117.81 . . . .
C29 C30 C40 H32 2.11 . . . .
C31 C30 C40 H30 -56.12 . . . .
C31 C30 C40 H31 63.75 . . . .
C31 C30 C40 H32 -176.34 . . . .
S3 C32 C33 H18 5.87 . . . .
S3 C32 C33 C34 -174.08 . . . .
C2 C32 C33 H18 -179.97 . . . .
C2 C32 C33 C34 0.08 . . . .
C32 C33 C34 H19 -180.00 . . . .
C32 C33 C34 C35 0.00 . . . .
H18 C33 C34 H19 0.06 . . . .
H18 C33 C34 C35 -179.96 . . . .
C33 C34 C35 C36 -0.06 . . . .
C33 C34 C35 C41 -174.79 . . . .
H19 C34 C35 C36 179.93 . . . .
H19 C34 C35 C41 5.20 . . . .
C34 C35 C36 C2 0.03 . . . .
C34 C35 C36 H20 -179.91 . . . .
C41 C35 C36 C2 174.78 . . . .
C41 C35 C36 H20 -5.16 . . . .
C34 C35 C41 H33 -110.70 . . . .
C34 C35 C41 H34 129.23 . . . .
C34 C35 C41 H35 9.32 . . . .
C36 C35 C41 H33 74.55 . . . .
C36 C35 C41 H34 -45.52 . . . .
C36 C35 C41 H35 -165.44 . . . .





# POWDER PROFILE

_pd_meas_2theta_range_min        5.013
_pd_meas_2theta_range_max        69.987
_pd_proc_number_of_points        2500

_pd_proc_ls_prof_R_factor        5.13366
_pd_proc_ls_prof_wR_factor       7.21311
_pd_proc_ls_prof_wR_expected     3.62100

_refine_ls_number_reflns         934
_refine_ls_number_parameters     36
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_R_I_factor            10.33925
_refine_ls_goodness_of_fit_all   1.99202
_refine_ls_restrained_S_all      1.94034

loop_
_pd_meas_2theta_scan
_pd_meas_counts_total
_pd_proc_2theta_corrected
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc

5.013130 655.000000 5.066911 17.351681 644.696289
5.039130 650.000000 5.092911 17.827831 640.031372
5.065130 645.000000 5.118910 18.324221 635.621216
5.091130 650.000000 5.144909 18.842018 631.452637
5.117130 640.000000 5.170909 19.382513 627.512817
5.143130 630.000000 5.196908 19.947054 623.789917
5.169130 640.000000 5.222908 20.537125 620.272278
5.195130 645.000000 5.248908 21.154325 616.948853
5.221130 650.000000 5.274907 21.800331 613.808960
5.247130 620.000000 5.300906 22.477026 610.842468
5.273130 630.000000 5.326905 23.186396 608.040039
5.299130 630.000000 5.352905 23.930645 605.391846
5.325130 625.000000 5.378905 24.712132 602.888916
5.351130 635.000000 5.404904 25.533400 600.523438
5.377131 625.000000 5.430904 26.397259 598.287109
5.403130 630.000000 5.456903 27.306728 596.172302
5.429130 625.000000 5.482903 28.265223 594.171387
5.455131 625.000000 5.508902 29.276325 592.277405
5.481130 620.000000 5.534901 30.344021 590.483887
5.507130 635.000000 5.560901 31.472742 588.784424
5.533130 640.000000 5.586900 32.667278 587.172974
5.559130 635.000000 5.612900 33.933014 585.643799
5.585130 630.000000 5.638899 35.275738 584.191528
5.611130 635.000000 5.664898 36.702030 582.810913
5.637130 615.000000 5.690898 38.219082 581.497131
5.663130 630.000000 5.716897 39.834892 580.245544
5.689130 635.000000 5.742897 41.558472 579.051697
5.715130 625.000000 5.768896 43.399776 577.911438
5.741130 635.000000 5.794895 45.369976 576.820984
5.767130 630.000000 5.820895 47.481735 575.776367
5.793130 625.000000 5.846894 49.749187 574.774292
5.819130 615.000000 5.872894 52.188366 573.811401
5.845130 605.000000 5.898894 54.817490 572.884521
5.871130 620.000000 5.924893 57.657074 571.991028
5.897130 615.000000 5.950892 60.730835 571.127869
5.923130 620.000000 5.976892 64.065865 570.292725
5.949130 630.000000 6.002891 67.693176 569.482910
5.975131 635.000000 6.028891 71.648926 568.696350
6.001130 640.000000 6.054890 75.974586 567.930908
6.027130 640.000000 6.080889 80.719055 567.184753
6.053130 635.000000 6.106888 85.939178 566.455872
6.079130 635.000000 6.132888 91.702469 565.742737
6.105130 640.000000 6.158887 98.088188 565.043701
6.131130 660.000000 6.184886 105.191460 564.357361
6.157130 676.000000 6.210886 113.126595 563.682373
6.183130 671.000000 6.236885 122.030640 563.017578
6.209130 676.000000 6.262885 132.072540 562.361694
6.235130 692.000000 6.288885 143.459778 561.713745
6.261130 697.000000 6.314884 156.452438 561.072998
6.287130 708.000000 6.340883 171.388336 560.438354
6.313130 740.000000 6.366882 188.725723 559.809143
6.339130 751.000000 6.392882 209.130356 559.184692
6.365130 784.000000 6.418881 233.646057 558.564453
6.391130 835.000000 6.444881 264.019928 557.947815
6.417130 876.000000 6.470881 303.239105 557.334351
6.443130 961.000000 6.496880 356.317139 556.723572
6.469130 1076.000000 6.522879 431.179657 556.115234
6.495131 1190.000000 6.548879 539.192078 555.509033
6.521130 1391.000000 6.574878 694.480896 554.904602
6.547130 1608.000000 6.600877 911.247742 554.301880
6.573130 1884.000000 6.626876 1199.218140 553.700684
6.599130 2294.000000 6.652876 1560.049194 553.100891
6.625130 2841.000000 6.678875 1989.007324 552.502441
6.651130 3493.000000 6.704875 2480.863525 551.905273
6.677130 4173.000000 6.730874 3035.752441 551.309448
6.703130 4761.000000 6.756873 3692.869873 550.715027
6.729130 5565.000000 6.782872 4644.320801 550.122009
6.755130 6956.000000 6.808872 6267.852539 549.530518
6.781130 8724.000000 6.834871 8451.388672 548.940674
6.807130 9880.000000 6.860871 9545.281250 548.352539
6.833130 9332.000000 6.886870 8261.007812 547.766357
6.859130 6740.000000 6.912870 5719.750000 547.182373
6.885130 3856.000000 6.938869 3378.924072 546.600647
6.911130 2362.000000 6.964869 1807.991699 546.021423
6.937130 1689.000000 6.990868 958.856506 545.445007
6.963130 1347.000000 7.016867 586.066345 544.871521
6.989130 1156.000000 7.042866 473.086334 544.301270
7.015131 1063.000000 7.068866 481.975555 543.734497
7.041130 1011.000000 7.094865 537.473938 543.171448
7.067130 1011.000000 7.120864 606.826843 542.612366
7.093130 1011.000000 7.146864 683.734619 542.057617
7.119130 1043.000000 7.172863 774.852600 541.507385
7.145130 1136.000000 7.198862 889.860413 540.961975
7.171130 1246.000000 7.224862 1036.774292 540.421631
7.197130 1391.000000 7.250861 1222.532837 539.886597
7.223130 1592.000000 7.276860 1455.457886 539.357239
7.249130 1927.000000 7.302859 1749.895874 538.833801
7.275130 2411.000000 7.328859 2151.702393 538.316528
7.301130 3047.000000 7.354859 2778.587646 537.805664
7.327130 4007.000000 7.380858 3710.318115 537.301514
7.353130 5358.000000 7.406857 4545.445801 536.804321
7.379130 5776.000000 7.432857 4558.061035 536.314270
7.405130 4330.000000 7.458856 3885.685059 535.831726
7.431130 3272.000000 7.484856 3233.881104 535.356812
7.457130 3306.000000 7.510855 3058.178467 534.889832
7.483130 3660.000000 7.536854 3288.337646 534.430969
7.509130 3528.000000 7.562853 3266.661621 533.980469
7.535131 2970.000000 7.588853 2645.301514 533.538452
7.561130 2052.000000 7.614851 1808.732422 533.105225
7.587130 1444.000000 7.640851 1124.828369 532.680908
7.613130 1176.000000 7.666851 693.361267 532.265625
7.639130 1043.000000 7.692850 466.258789 531.859619
7.665130 1056.000000 7.718849 364.489929 531.463074
7.691130 1102.000000 7.744849 328.967926 531.076050
7.717130 1204.000000 7.770848 325.210205 530.698730
7.743130 1274.000000 7.796847 335.505798 530.331177
7.769130 1211.000000 7.822846 352.289459 529.973633
7.795130 1011.000000 7.848846 373.761200 529.626038
7.821130 961.000000 7.874846 401.284302 529.288574
7.847130 999.000000 7.900845 438.001984 528.961365
7.873130 1050.000000 7.926844 489.800659 528.644409
7.899130 1129.000000 7.952843 572.574585 528.337708
7.925130 1225.000000 7.978843 714.534180 528.041504
7.951130 1399.000000 8.004842 899.653809 527.755615
7.977130 1537.000000 8.030842 976.802795 527.480225
8.003130 1482.000000 8.056840 837.863037 527.215271
8.029130 1190.000000 8.082840 596.725159 526.960754
8.055130 900.000000 8.108839 383.310547 526.716675
8.081130 751.000000 8.134839 241.600143 526.483032
8.107130 681.000000 8.160838 162.982513 526.259827
8.133130 666.000000 8.186837 124.510597 526.046997
8.159130 625.000000 8.212837 107.306404 525.844482
8.185130 640.000000 8.238835 99.677200 525.652222
8.211130 605.000000 8.264835 95.274887 525.470154
8.237129 610.000000 8.290833 91.192871 525.298279
8.263130 595.000000 8.316834 86.538742 525.136353
8.289129 581.000000 8.342832 81.383354 524.984436
8.315130 576.000000 8.368833 76.094345 524.842346
8.341130 581.000000 8.394832 70.980293 524.710022
8.367130 576.000000 8.420832 66.240479 524.587280
8.393130 571.000000 8.446830 61.946629 524.474060
8.419129 576.000000 8.472829 58.094353 524.370178
8.445129 571.000000 8.498829 54.644650 524.275513
8.471129 576.000000 8.524827 51.548359 524.189941
8.497129 571.000000 8.550827 48.757034 524.113281
8.523130 562.000000 8.576827 46.228878 524.045349
8.549129 581.000000 8.602826 43.928516 523.986023
8.575130 571.000000 8.628824 41.826431 523.935059
8.601130 562.000000 8.654825 39.897766 523.892334
8.627131 557.000000 8.680824 38.122334 523.857727
8.653131 552.000000 8.706823 36.482655 523.830872
8.679130 557.000000 8.732821 34.964085 523.811707
8.705130 562.000000 8.758821 33.553871 523.800049
8.731130 548.000000 8.784821 32.241394 523.795532
8.757130 543.000000 8.810820 31.017248 523.798096
8.783130 543.000000 8.836819 29.873302 523.807495
8.809130 538.000000 8.862819 28.802443 523.823486
8.835130 548.000000 8.888817 27.798569 523.845886
8.861131 543.000000 8.914818 26.856035 523.874451
8.887130 538.000000 8.940816 25.970255 523.908936
8.913130 538.000000 8.966816 25.136806 523.949097
8.939129 548.000000 8.992813 24.352098 523.994751
8.965130 552.000000 9.018814 23.612614 524.045654
8.991130 557.000000 9.044813 22.915604 524.101624
9.017130 543.000000 9.070813 22.258448 524.162292
9.043130 543.000000 9.096811 21.638981 524.227478
9.069130 552.000000 9.122811 21.055220 524.297058
9.095130 543.000000 9.148810 20.505621 524.370605
9.121131 543.000000 9.174810 19.988861 524.448059
9.147130 534.000000 9.200809 19.504030 524.529053
9.173130 524.000000 9.226809 19.050453 524.613403
9.199130 529.000000 9.252808 18.628031 524.700806
9.225130 534.000000 9.278807 18.237188 524.791199
9.251130 534.000000 9.304806 17.879297 524.884094
9.277129 524.000000 9.330805 17.557302 524.979431
9.303130 534.000000 9.356804 17.276833 525.076965
9.329130 557.000000 9.382804 17.047945 525.176392
9.355130 548.000000 9.408803 16.887346 525.277588
9.381130 543.000000 9.434803 16.820103 525.380188
9.407129 543.000000 9.460800 16.879257 525.484070
9.433129 548.000000 9.486800 17.101599 525.588989
9.459129 543.000000 9.512799 17.520729 525.694641
9.485129 548.000000 9.538798 18.166367 525.800903
9.511130 543.000000 9.564798 19.495432 525.907532
9.537129 538.000000 9.590797 20.775139 526.014343
9.563130 552.000000 9.616797 22.568487 526.121094
9.589129 566.000000 9.642795 25.180056 526.227539
9.615130 586.000000 9.668796 29.197393 526.333557
9.641130 590.000000 9.694795 34.791859 526.438843
9.667130 610.000000 9.720795 39.013485 526.543335
9.693130 610.000000 9.746793 37.159920 526.646790
9.719130 600.000000 9.772792 30.725357 526.748962
9.745130 566.000000 9.798791 24.179600 526.849792
9.771130 538.000000 9.824790 19.564230 526.948975
9.797130 538.000000 9.850789 16.937162 527.046387
9.823131 534.000000 9.876790 15.678786 527.141907
9.849130 562.000000 9.902788 15.198134 527.235291
9.875130 557.000000 9.928786 15.116611 527.326416
9.901130 538.000000 9.954786 15.231383 527.415161
9.927130 538.000000 9.980785 15.453241 527.501343
9.953130 557.000000 10.006784 15.761977 527.584839
9.979129 557.000000 10.032783 16.176922 527.665527
10.005130 571.000000 10.058784 16.742348 527.743225
10.031130 566.000000 10.084783 17.527403 527.817871
10.057130 600.000000 10.110782 18.639647 527.889221
10.083131 605.000000 10.136782 20.247021 527.957336
10.109130 635.000000 10.162780 22.598965 528.021973
10.135130 615.000000 10.188779 26.031235 528.083130
10.161131 586.000000 10.214779 30.934196 528.140625
10.187130 552.000000 10.240778 37.693508 528.194397
10.213131 566.000000 10.266778 46.684399 528.244385
10.239130 576.000000 10.292776 58.449783 528.290466
10.265130 600.000000 10.318775 74.054237 528.332581
10.291129 630.000000 10.344774 95.363159 528.370728
10.317130 666.000000 10.370774 125.607521 528.404724
10.343130 708.000000 10.396772 170.460358 528.434631
10.369130 795.000000 10.422772 232.152664 528.460388
10.395128 888.000000 10.448770 282.620544 528.481812
10.421129 936.000000 10.474770 269.475800 528.499023
10.447129 812.000000 10.500769 202.448715 528.511963
10.473129 681.000000 10.526768 130.832825 528.520630
10.499129 615.000000 10.552768 78.929596 528.524902
10.525129 576.000000 10.578766 48.345856 528.524841
10.551129 566.000000 10.604766 32.615993 528.520447
10.577129 529.000000 10.630765 25.271650 528.511658
10.603130 538.000000 10.656765 21.936687 528.498596
10.629129 534.000000 10.682763 20.277107 528.481201
10.655128 529.000000 10.708761 19.138521 528.459473
10.681129 529.000000 10.734762 18.076513 528.433472
10.707130 520.000000 10.760761 17.003998 528.403198
10.733131 534.000000 10.786762 15.969118 528.368774
10.759130 538.000000 10.812760 15.043095 528.330139
10.785131 534.000000 10.838759 14.379866 528.287354
10.811131 515.000000 10.864758 13.812710 528.240540
10.837131 520.000000 10.890758 13.457990 528.189697
10.863132 538.000000 10.916759 13.326020 528.134949
10.889131 511.000000 10.942756 13.430245 528.076355
10.915131 524.000000 10.968755 13.807780 528.013916
10.941130 543.000000 10.994754 14.542767 527.947815
10.967131 538.000000 11.020754 15.782548 527.878052
10.993130 543.000000 11.046752 17.778555 527.804810
11.019131 548.000000 11.072752 20.899269 527.728149
11.045130 552.000000 11.098750 25.230722 527.648132
11.071130 571.000000 11.124749 26.769243 527.564880
11.097130 557.000000 11.150748 24.036816 527.478577
11.123131 529.000000 11.176748 19.358120 527.389282
11.149130 524.000000 11.202747 15.293167 527.297119
11.175129 538.000000 11.228745 12.599480 527.202209
11.201130 538.000000 11.254745 11.074600 527.104797
11.227130 538.000000 11.280745 9.438843 527.004883
11.253130 538.000000 11.306744 9.066103 526.902588
11.279130 538.000000 11.332743 8.886121 526.798218
11.305130 529.000000 11.358742 8.789956 526.691772
11.331130 543.000000 11.384742 7.780330 526.583496
11.357130 543.000000 11.410740 7.747436 526.473511
11.383131 534.000000 11.436740 7.729057 526.362061
11.409130 529.000000 11.462739 7.727795 526.249146
11.435129 534.000000 11.488737 7.746356 526.135071
11.461130 529.000000 11.514736 7.786217 526.019958
11.487130 520.000000 11.540736 7.847789 525.904053
11.513130 515.000000 11.566735 7.930957 525.787415
11.539130 515.000000 11.592733 8.050836 525.670349
11.565130 524.000000 11.618733 8.177164 525.552979
11.591129 534.000000 11.644732 8.325296 525.435486
11.617130 538.000000 11.670732 8.495964 525.318115
11.643129 534.000000 11.696730 8.690227 525.201050
11.669130 524.000000 11.722730 8.909582 525.084412
11.695128 534.000000 11.748728 9.155868 524.968567
11.721130 529.000000 11.774729 9.431441 524.853577
11.747130 515.000000 11.800727 9.929275 524.739685
11.773130 524.000000 11.826727 10.275603 524.627136
11.799130 538.000000 11.852726 10.661417 524.516113
11.825130 534.000000 11.878724 11.091479 524.406860
11.851130 543.000000 11.904724 11.571516 524.299500
11.877131 543.000000 11.930723 12.108258 524.194397
11.903131 552.000000 11.956723 12.709863 524.091675
11.929131 552.000000 11.982721 13.386030 523.991577
11.955130 548.000000 12.008719 14.148624 523.894348
11.981131 548.000000 12.034719 15.012103 523.800110
12.007131 543.000000 12.060719 15.994030 523.709229
12.033131 538.000000 12.086718 17.276079 523.621887
12.059131 543.000000 12.112717 18.568785 523.538269
12.085131 543.000000 12.138717 20.064060 523.458618
12.111131 538.000000 12.164715 21.807030 523.383179
12.137131 543.000000 12.190714 23.859041 523.312256
12.163132 557.000000 12.216715 26.307137 523.245911
12.189131 566.000000 12.242713 29.281328 523.184509
12.215130 557.000000 12.268710 32.986485 523.128174
12.241130 552.000000 12.294710 37.749847 523.077271
12.267131 562.000000 12.320710 44.081009 523.031921
12.293130 571.000000 12.346707 52.730640 522.992432
12.319131 562.000000 12.372708 64.715492 522.959045
12.345129 576.000000 12.398705 81.262299 522.931885
12.371130 600.000000 12.424706 103.761589 522.911194
12.397129 615.000000 12.450703 133.935822 522.897400
12.423130 620.000000 12.476704 174.681335 522.890503
12.449130 660.000000 12.502703 231.372665 522.890808
12.475129 718.000000 12.528700 312.865356 522.898560
12.501130 778.000000 12.554701 431.965881 522.914001
12.527130 930.000000 12.580700 604.578674 522.937378
12.553130 1116.000000 12.606699 826.062012 522.968811
12.579130 1332.000000 12.632698 990.670898 523.008545
12.605129 1376.000000 12.658696 934.344482 523.056946
12.631130 1129.000000 12.684696 701.385681 523.114136
12.657129 876.000000 12.710695 457.696930 523.180298
12.683130 740.000000 12.736694 280.257080 523.255676
12.709131 676.000000 12.762694 172.393478 523.340576
12.735130 620.000000 12.788692 113.806747 523.435059
12.761131 610.000000 12.814692 83.725807 523.539429
12.787131 610.000000 12.840692 68.211960 523.653931
12.813131 595.000000 12.866691 59.410721 523.778687
12.839131 562.000000 12.892691 53.379211 523.913940
12.865131 581.000000 12.918689 48.417282 524.059875
12.891130 571.000000 12.944687 43.970551 524.216797
12.917131 590.000000 12.970687 39.963787 524.384766
12.943130 571.000000 12.996686 36.450539 524.564087
12.969131 552.000000 13.022685 33.496655 524.754944
12.995130 576.000000 13.048682 31.043585 524.957397
13.021130 562.000000 13.074682 29.081408 525.171814
13.047129 571.000000 13.100679 27.565973 525.398254
13.073130 600.000000 13.126679 26.460999 525.637024
13.099129 586.000000 13.152678 26.112717 525.888184
13.125129 595.000000 13.178678 25.813200 526.151978
13.151130 581.000000 13.204677 25.960196 526.428589
13.177129 590.000000 13.230675 26.624596 526.718079
13.203130 562.000000 13.256675 27.903688 527.020813
13.229130 576.000000 13.282674 29.793606 527.336792
13.255129 566.000000 13.308672 32.760986 527.666199
13.281130 576.000000 13.334672 37.044270 528.009277
13.307129 581.000000 13.360671 43.305210 528.366089
13.333130 562.000000 13.386670 52.548599 528.736938
13.359129 586.000000 13.412668 66.112617 529.121704
13.385129 595.000000 13.438667 85.154465 529.520813
13.411130 586.000000 13.464668 107.071457 529.934326
13.437129 595.000000 13.490665 119.555267 530.362183
13.463130 605.000000 13.516665 113.054382 530.804810
13.489130 595.000000 13.542665 98.382683 531.262146
13.515129 610.000000 13.568663 88.406921 531.734375
13.541128 630.000000 13.594661 88.721977 532.221619
13.567129 635.000000 13.620661 100.913391 532.723999
13.593129 671.000000 13.646660 126.100311 533.241577
13.619129 676.000000 13.672659 164.779205 533.774536
13.645128 686.000000 13.698657 209.319794 534.322937
13.671129 708.000000 13.724657 230.210526 534.886902
13.697128 686.000000 13.750655 205.124878 535.466553
13.723130 655.000000 13.776656 157.656708 536.062012
13.749130 635.000000 13.802655 116.830383 536.673218
13.775129 630.000000 13.828653 91.678261 537.300415
13.801130 615.000000 13.854652 82.078941 537.943542
13.827129 610.000000 13.880651 85.125519 538.602844
13.853130 610.000000 13.906651 97.960800 539.278320
13.879129 605.000000 13.932650 114.408569 539.969849
13.905129 600.000000 13.958648 119.733261 540.677795
13.931130 605.000000 13.984648 105.180725 541.402100
13.957129 595.000000 14.010647 82.005234 542.142761
13.983130 590.000000 14.036646 61.878647 542.899902
14.009130 595.000000 14.062645 48.146015 543.673462
14.035130 615.000000 14.088643 39.992458 544.463623
14.061131 620.000000 14.114644 35.597641 545.270508
14.087130 615.000000 14.140641 33.428181 546.093689
14.113131 620.000000 14.166641 32.511837 546.933716
14.139130 625.000000 14.192639 32.321987 547.790344
14.165130 610.000000 14.218638 32.611862 548.663696
14.191130 605.000000 14.244637 33.296791 549.553711
14.217130 610.000000 14.270637 34.383369 550.460449
14.243130 600.000000 14.296636 35.942760 551.383911
14.269131 605.000000 14.322635 38.122231 552.324036
14.295129 610.000000 14.348632 41.169540 553.280823
14.321129 610.000000 14.374632 45.438087 554.254456
14.347129 615.000000 14.400631 51.352898 555.244690
14.373130 615.000000 14.426630 59.164669 556.251648
14.399129 625.000000 14.452628 67.997276 557.275146
14.425129 630.000000 14.478627 73.220520 558.315430
14.451130 615.000000 14.504628 72.475769 559.372314
14.477129 640.000000 14.530625 69.475456 560.445740
14.503130 655.000000 14.556625 68.411499 561.535706
14.529129 655.000000 14.582623 70.877151 562.642212
14.555129 655.000000 14.608622 77.160316 563.764893
14.581129 671.000000 14.634622 87.350533 564.904297
14.607129 686.000000 14.660621 101.987984 566.059875
14.633130 729.000000 14.686621 122.609619 567.231812
14.659129 773.000000 14.712618 152.161072 568.419861
14.685129 812.000000 14.738617 195.343735 569.624146
14.711131 912.000000 14.764619 256.852997 570.844604
14.737130 1037.000000 14.790617 340.480682 572.081055
14.763131 1204.000000 14.816616 432.574768 573.333252
14.789131 1253.000000 14.842615 481.694061 574.601379
14.815130 1149.000000 14.868613 444.195862 575.885193
14.841129 1030.000000 14.894611 359.927734 577.184753
14.867130 942.000000 14.920611 283.732544 578.499878
14.893130 949.000000 14.946610 236.769623 579.830444
14.919130 1018.000000 14.972610 219.550705 581.176514
14.945129 1122.000000 14.998607 227.730087 582.537537
14.971130 1253.000000 15.024607 258.721405 583.913879
14.997129 1354.000000 15.050606 311.966583 585.305298
15.023130 1332.000000 15.076606 387.259277 586.711731
15.049129 1303.000000 15.102603 470.388794 588.132751
15.075130 1282.000000 15.128602 517.422729 589.568542
15.101130 1246.000000 15.154601 499.440216 591.018799
15.127130 1156.000000 15.180599 454.815704 592.483398
15.153131 1116.000000 15.206600 429.500336 593.962341
15.179130 1109.000000 15.232598 441.702332 595.455444
15.205130 1176.000000 15.258597 495.356171 596.962646
15.231131 1289.000000 15.284596 593.031616 598.483643
15.257130 1459.000000 15.310595 744.117798 600.018005
15.283131 1739.000000 15.336595 970.875854 601.566406
15.309130 2190.000000 15.362593 1310.670898 603.127747
15.335130 2809.000000 15.388592 1812.588867 604.702576
15.361130 3528.000000 15.414591 2522.354248 606.290405
15.387130 4449.000000 15.440590 3411.027588 607.891174
15.413131 5127.000000 15.466589 4162.547852 609.504517
15.439130 4970.000000 15.492587 4176.062500 611.130615
15.465130 4134.000000 15.518586 3392.971680 612.768921
15.491129 3136.000000 15.544585 2399.730225 614.419434
15.517130 2294.000000 15.570584 1590.931152 616.082153
15.543129 1772.000000 15.596582 1045.940186 617.756531
15.569130 1452.000000 15.622582 716.335815 619.442810
15.595129 1253.000000 15.648580 529.518555 621.140198
15.621129 1089.000000 15.674579 426.969116 622.849121
15.647129 1018.000000 15.700578 371.762238 624.569153
15.673130 986.000000 15.726578 343.672943 626.300049
15.699129 942.000000 15.752576 335.152008 628.041626
15.725130 949.000000 15.778576 344.650024 629.793701
15.751131 967.000000 15.804576 375.184998 631.556091
15.777130 973.000000 15.830574 430.898193 633.328491
15.803131 1005.000000 15.856573 510.043732 635.110779
15.829130 1037.000000 15.882571 584.993530 636.902832
15.855130 1005.000000 15.908570 593.319763 638.704346
15.881130 936.000000 15.934568 513.705444 640.515015
15.907130 864.000000 15.960568 403.169403 642.334961
15.933131 812.000000 15.986568 310.929077 644.163635
15.959130 795.000000 16.012566 250.581924 646.000671
15.985130 784.000000 16.038565 217.361618 647.846375
16.011131 778.000000 16.064566 199.763657 649.700195
16.037130 767.000000 16.090561 183.950668 651.561768
16.063131 790.000000 16.116562 165.076294 653.431396
16.089130 801.000000 16.142559 147.737061 655.308289
16.115129 807.000000 16.168558 135.453827 657.192627
16.141130 807.000000 16.194557 128.787094 659.083984
16.167130 778.000000 16.220556 127.668236 660.982178
16.193130 756.000000 16.246555 130.879822 662.886841
16.219131 745.000000 16.272554 138.802124 664.797974
16.245129 751.000000 16.298552 151.983276 666.715088
16.271130 784.000000 16.324551 171.750717 668.638306
16.297129 801.000000 16.350550 200.696167 670.566895
16.323130 841.000000 16.376549 243.644180 672.501221
16.349129 888.000000 16.402548 307.885742 674.440552
16.375130 967.000000 16.428547 402.818665 676.384888
16.401131 1037.000000 16.454548 537.451050 678.334167
16.427130 1136.000000 16.480543 710.896790 680.287537
16.453131 1218.000000 16.506544 882.646606 682.245544
16.479130 1253.000000 16.532541 948.825745 684.207153
16.505129 1225.000000 16.558540 851.791870 686.172791
16.531130 1142.000000 16.584541 677.835388 688.142029
16.557129 1076.000000 16.610538 526.348389 690.114380
16.583130 1030.000000 16.636539 433.422974 692.089844
16.609131 1030.000000 16.662537 402.296539 694.068054
16.635130 1089.000000 16.688536 425.553986 696.048950
16.661131 1176.000000 16.714535 495.506897 698.032043
16.687130 1289.000000 16.740534 594.137573 700.017334
16.713131 1391.000000 16.766533 676.927795 702.004517
16.739132 1429.000000 16.792534 693.245483 703.993408
16.765131 1414.000000 16.818531 640.810730 705.983521
16.791130 1362.000000 16.844528 549.781433 707.974487
16.817131 1253.000000 16.870527 457.593567 709.966675
16.843130 1149.000000 16.896526 395.382202 711.959473
16.869131 1129.000000 16.922527 376.875183 713.952881
16.895130 1149.000000 16.948524 404.925507 715.946228
16.921131 1218.000000 16.974525 479.184845 717.939636
16.947130 1376.000000 17.000523 592.109680 719.932617
16.973131 1544.000000 17.026524 710.652405 721.925293
16.999130 1648.000000 17.052519 756.152039 723.916870
17.025129 1600.000000 17.078518 675.723206 725.907715
17.051130 1406.000000 17.104517 525.347229 727.897156
17.077129 1211.000000 17.130516 381.572632 729.885315
17.103130 1063.000000 17.156515 273.683197 731.871582
17.129131 967.000000 17.182516 201.563904 733.856445
17.155130 912.000000 17.208513 156.263855 735.838501
17.181131 900.000000 17.234512 128.416565 737.818604
17.207130 882.000000 17.260509 111.020126 739.795715
17.233131 829.000000 17.286510 99.629631 741.770508
17.259130 807.000000 17.312508 91.704025 743.741821
17.285130 801.000000 17.338507 85.877663 745.710083
17.311131 784.000000 17.364506 81.456581 747.674805
17.337130 773.000000 17.390505 78.338791 749.635803
17.363131 767.000000 17.416506 75.890732 751.592957
17.389130 784.000000 17.442501 74.271713 753.545593
17.415131 778.000000 17.468502 73.450356 755.494385
17.441130 767.000000 17.494499 73.428116 757.438171
17.467131 778.000000 17.520500 74.247971 759.377319
17.493130 795.000000 17.546497 75.974899 761.311401
17.519131 807.000000 17.572498 78.756401 763.240479
17.545130 835.000000 17.598495 82.806992 765.163696
17.571129 847.000000 17.624493 88.436485 767.081604
17.597130 894.000000 17.650492 96.428101 768.993530
17.623131 949.000000 17.676493 106.693726 770.899719
17.649130 1037.000000 17.702490 120.866013 772.799194
17.675129 1082.000000 17.728489 139.809448 774.692505
17.701132 1149.000000 17.754490 166.520172 776.579407
17.727131 1129.000000 17.780489 205.137619 778.459290
17.753132 1170.000000 17.806486 261.227692 780.332031
17.779131 1253.000000 17.832485 340.763550 782.197693
17.805130 1362.000000 17.858482 446.992828 784.055664
17.831131 1436.000000 17.884483 570.877563 785.906555
17.857130 1521.000000 17.910480 670.879761 787.749390
17.883131 1436.000000 17.936481 681.212219 789.584290
17.909130 1369.000000 17.962479 593.980225 791.411011
17.935131 1260.000000 17.988480 474.969513 793.229675
17.961132 1176.000000 18.014477 375.914276 795.039612
17.987131 1109.000000 18.040476 311.441467 796.840942
18.013130 1043.000000 18.066473 279.424377 798.633545
18.039129 1050.000000 18.092472 274.132294 800.416992
18.065130 1069.000000 18.118471 291.603302 802.191528
18.091129 1116.000000 18.144470 331.905426 803.956543
18.117130 1204.000000 18.170469 399.956360 805.712219
18.143129 1325.000000 18.196466 504.906586 807.458130
18.169130 1544.000000 18.222466 658.550110 809.194397
18.195129 1781.000000 18.248465 868.454895 810.920654
18.221128 2125.000000 18.274462 1122.497559 812.636902
18.247129 2352.000000 18.300463 1354.747681 814.342957
18.273129 2401.000000 18.326460 1443.071899 816.038452
18.299129 2200.000000 18.352461 1325.664185 817.723755
18.325129 1927.000000 18.378458 1089.262573 819.397949
18.351130 1697.000000 18.404457 860.135803 821.061646
18.377129 1584.000000 18.430454 700.685669 822.714233
18.403130 1576.000000 18.456455 622.064636 824.356140
18.429129 1600.000000 18.482452 617.668518 825.986450
18.455128 1576.000000 18.508451 676.809875 827.605652
18.481129 1537.000000 18.534451 783.871765 829.213379
18.507130 1513.000000 18.560452 904.592957 830.809692
18.533131 1513.000000 18.586449 984.951233 832.394287
18.559130 1513.000000 18.612448 1013.251770 833.967102
18.585129 1640.000000 18.638445 1048.016602 835.527771
18.611130 1789.000000 18.664446 1140.895508 837.076782
18.637129 1936.000000 18.690443 1282.356079 838.613464
18.663130 2052.000000 18.716444 1383.523071 840.138062
18.689129 2025.000000 18.742441 1323.678589 841.650269
18.715130 1910.000000 18.768442 1104.199219 843.150208
18.741129 1764.000000 18.794437 842.813477 844.637390
18.767130 1600.000000 18.820438 622.266663 846.112183
18.793129 1459.000000 18.846436 462.286957 847.574219
18.819130 1303.000000 18.872437 354.820831 849.023682
18.845129 1170.000000 18.898434 285.789459 850.459961
18.871130 1089.000000 18.924433 242.368240 851.883545
18.897129 1018.000000 18.950432 215.253937 853.294189
18.923130 973.000000 18.976429 198.573120 854.691589
18.949129 955.000000 19.002428 189.035339 856.075867
18.975128 942.000000 19.028425 185.060593 857.447021
19.001131 918.000000 19.054428 186.153870 858.804993
19.027130 906.000000 19.080425 192.380386 860.149475
19.053131 930.000000 19.106426 205.195480 861.480591
19.079130 942.000000 19.132423 226.433304 862.798340
19.105131 973.000000 19.158422 259.686432 864.102417
19.131130 1024.000000 19.184420 310.741913 865.392944
19.157131 1116.000000 19.210421 387.497040 866.670044
19.183132 1253.000000 19.236420 498.847626 867.933289
19.209131 1444.000000 19.262419 651.341553 869.182983
19.235130 1731.000000 19.288416 840.418640 870.418823
19.261131 2016.000000 19.314417 1029.687622 871.641113
19.287130 2107.000000 19.340414 1132.427979 872.849365
19.313131 1962.000000 19.366411 1074.679321 874.043884
19.339130 1714.000000 19.392410 901.770142 875.224487
19.365131 1537.000000 19.418409 716.740051 876.391296
19.391130 1429.000000 19.444408 575.384094 877.544067
19.417131 1362.000000 19.470407 485.862183 878.683105
19.443130 1332.000000 19.496407 434.746582 879.808105
19.469131 1310.000000 19.522406 403.690948 880.919250
19.495129 1274.000000 19.548401 385.897217 882.016174
19.521130 1218.000000 19.574400 387.512085 883.099365
19.547131 1170.000000 19.600401 413.770355 884.168518
19.573132 1176.000000 19.626400 460.772522 885.223755
19.599131 1183.000000 19.652399 509.488556 886.264893
19.625130 1156.000000 19.678396 523.365662 887.291992
19.651131 1142.000000 19.704397 479.389435 888.305298
19.677130 1096.000000 19.730394 399.773254 889.304565
19.703133 1030.000000 19.756393 320.249207 890.289917
19.729132 992.000000 19.782393 257.570221 891.261292
19.755131 973.000000 19.808390 213.612503 892.218628
19.781132 973.000000 19.834391 185.078552 893.162292
19.807131 973.000000 19.860388 168.003082 894.091919
19.833132 961.000000 19.886389 157.914093 895.007751
19.859131 1005.000000 19.912386 154.564346 895.909668
19.885132 1050.000000 19.938385 155.307220 896.797852
19.911133 1122.000000 19.964384 160.355637 897.672241
19.937132 1218.000000 19.990381 169.399551 898.532837
19.963133 1376.000000 20.016382 183.210831 899.379761
19.989132 1459.000000 20.042379 203.013199 900.212952
20.015129 1429.000000 20.068377 231.473358 901.032532
20.041130 1369.000000 20.094376 272.266632 901.838623
20.067131 1332.000000 20.120377 331.171875 902.631104
20.093132 1391.000000 20.146374 415.831970 903.410034
20.119131 1552.000000 20.172373 534.613770 904.175659
20.145130 1815.000000 20.198370 693.253601 904.927734
20.171129 2153.000000 20.224369 887.628357 905.666565
20.197132 2540.000000 20.250370 1089.673584 906.392090
20.223131 2642.000000 20.276367 1233.727783 907.104370
20.249130 2421.000000 20.302366 1247.833374 907.803528
20.275131 2172.000000 20.328363 1143.602295 908.489502
20.301130 1927.000000 20.354362 1008.415405 909.162476
20.327131 1789.000000 20.380362 900.505188 909.822510
20.353130 1689.000000 20.406361 827.289368 910.469604
20.379131 1665.000000 20.432360 786.999207 911.103882
20.405130 1697.000000 20.458357 791.238037 911.725342
20.431129 1789.000000 20.484356 847.869080 912.334229
20.457132 1910.000000 20.510357 943.492493 912.930481
20.483130 2070.000000 20.536352 1032.446289 913.514038
20.509130 2079.000000 20.562351 1045.493774 914.085327
20.535130 1980.000000 20.588350 955.199524 914.644165
20.561131 1840.000000 20.614349 812.340332 915.190674
20.587130 1681.000000 20.640348 677.268677 915.725098
20.613129 1568.000000 20.666346 575.889343 916.247314
20.639132 1475.000000 20.692347 514.012634 916.757568
20.665131 1414.000000 20.718346 491.685547 917.255859
20.691130 1391.000000 20.744341 509.243652 917.742188
20.717129 1421.000000 20.770340 569.351685 918.216919
20.743130 1521.000000 20.796339 677.743164 918.679932
20.769131 1640.000000 20.822340 840.846741 919.131348
20.795132 1832.000000 20.848339 1059.752075 919.571350
20.821131 2116.000000 20.874336 1315.982544 919.999878
20.847130 2352.000000 20.900335 1549.644043 920.417236
20.873129 2581.000000 20.926331 1671.179443 920.823364
20.899132 2725.000000 20.952333 1642.512695 921.218506
20.925131 2663.000000 20.978331 1502.874634 921.602661
20.951130 2372.000000 21.004328 1292.556885 921.975952
20.977131 2125.000000 21.030329 1053.109131 922.338501
21.003130 1849.000000 21.056326 837.297791 922.690369
21.029131 1600.000000 21.082327 675.030457 923.031738
21.055130 1467.000000 21.108324 568.200745 923.362671
21.081127 1376.000000 21.134319 505.220093 923.683228
21.107130 1362.000000 21.160320 469.596191 923.993713
21.133129 1318.000000 21.186317 445.357788 924.294067
21.159132 1310.000000 21.212320 426.452026 924.584473
21.185129 1303.000000 21.238316 418.627045 924.864990
21.211128 1347.000000 21.264315 429.470367 925.135742
21.237129 1406.000000 21.290314 463.015259 925.396912
21.263130 1498.000000 21.316311 517.223206 925.648560
21.289129 1560.000000 21.342310 579.426697 925.890808
21.315128 1640.000000 21.368307 620.810791 926.123779
21.341129 1656.000000 21.394308 610.491028 926.347656
21.367130 1600.000000 21.420307 548.487000 926.562378
21.393129 1498.000000 21.446306 464.002563 926.768311
21.419128 1414.000000 21.472303 381.968750 926.965393
21.445129 1318.000000 21.498302 314.694305 927.153809
21.471128 1225.000000 21.524300 265.336639 927.333679
21.497131 1149.000000 21.550301 231.919357 927.505188
21.523130 1136.000000 21.576300 211.205719 927.668335
21.549129 1122.000000 21.602297 200.188812 927.823364
21.575129 1109.000000 21.628294 196.769424 927.970215
21.601128 1122.000000 21.654293 199.977341 928.109253
21.627131 1142.000000 21.680294 209.575195 928.240479
21.653130 1149.000000 21.706291 226.696884 928.364014
21.679131 1176.000000 21.732290 253.575668 928.479980
21.705130 1225.000000 21.758287 294.149658 928.588501
21.731129 1310.000000 21.784286 353.039368 928.689819
21.757130 1399.000000 21.810286 436.619263 928.783936
21.783127 1537.000000 21.836283 550.665894 928.870911
21.809130 1714.000000 21.862284 697.729309 928.951050
21.835129 1858.000000 21.888281 870.582031 929.024292
21.861130 1962.000000 21.914280 1041.080322 929.090942
21.887129 2070.000000 21.940277 1162.998779 929.151062
21.913128 2107.000000 21.966276 1210.674805 929.204712
21.939129 2116.000000 21.992275 1218.286865 929.252197
21.965130 2209.000000 22.018274 1231.217041 929.293335
21.991129 2285.000000 22.044273 1245.510986 929.328552
22.017132 2228.000000 22.070274 1209.744385 929.357788
22.043131 2061.000000 22.096273 1088.201660 929.381226
22.069132 1875.000000 22.122271 913.640015 929.399048
22.095131 1706.000000 22.148268 746.202942 929.411316
22.121132 1560.000000 22.174269 619.262207 929.418152
22.147131 1467.000000 22.200266 540.601318 929.419678
22.173130 1429.000000 22.226265 506.178741 929.416077
22.199133 1421.000000 22.252266 508.894348 929.407410
22.225132 1452.000000 22.278263 538.450684 929.393799
22.251131 1505.000000 22.304260 577.213196 929.375366
22.277130 1505.000000 22.330257 597.848755 929.352295
22.303131 1444.000000 22.356256 577.920227 929.324646
22.329132 1376.000000 22.382257 523.963318 929.292542
22.355133 1289.000000 22.408257 461.863647 929.256104
22.381130 1274.000000 22.434254 408.041931 929.215576
22.407131 1267.000000 22.460253 362.508942 929.170837
22.433130 1260.000000 22.486250 320.524841 929.122192
22.459133 1274.000000 22.512251 282.829620 929.069580
22.485130 1267.000000 22.538246 254.135620 929.013367
22.511129 1296.000000 22.564245 236.986023 928.953491
22.537132 1310.000000 22.590246 231.196930 928.890137
22.563131 1318.000000 22.616243 235.260605 928.823364
22.589130 1362.000000 22.642242 250.348846 928.753296
22.615129 1384.000000 22.668240 278.361023 928.680115
22.641129 1369.000000 22.694235 321.757996 928.603882
22.667131 1384.000000 22.720238 379.998962 928.524658
22.693130 1459.000000 22.746235 445.891998 928.442627
22.719131 1529.000000 22.772236 501.441223 928.357910
22.745131 1592.000000 22.798233 521.052307 928.270508
22.771130 1632.000000 22.824230 493.208313 928.180664
22.797131 1656.000000 22.850231 435.028534 928.088379
22.823132 1632.000000 22.876230 370.779938 927.993774
22.849131 1482.000000 22.902225 310.789062 927.896973
22.875130 1384.000000 22.928225 256.033295 927.798035
22.901131 1274.000000 22.954224 208.092102 927.697144
22.927132 1170.000000 22.980223 169.362976 927.594360
22.953131 1142.000000 23.006222 139.672150 927.489807
22.979130 1142.000000 23.032219 117.569122 927.383484
23.005131 1122.000000 23.058220 101.239784 927.275635
23.031130 1122.000000 23.084217 88.981125 927.166199
23.057133 1096.000000 23.110216 79.608978 927.055420
23.083130 1063.000000 23.136213 72.284248 926.943237
23.109131 1063.000000 23.162212 66.452515 926.829834
23.135130 1005.000000 23.188210 61.741749 926.715332
23.161129 1005.000000 23.214209 57.922192 926.599792
23.187130 980.000000 23.240208 54.785503 926.483215
23.213129 980.000000 23.266205 51.828110 926.365784
23.239132 986.000000 23.292206 49.781918 926.247559
23.265131 967.000000 23.318203 48.175407 926.128540
23.291130 961.000000 23.344202 46.965546 926.009033
23.317129 955.000000 23.370199 45.945747 925.888916
23.343128 961.000000 23.396196 45.467972 925.768250
23.369131 936.000000 23.422199 45.420021 925.647217
23.395130 980.000000 23.448196 45.701683 925.525879
23.421131 942.000000 23.474195 46.437473 925.404297
23.447130 930.000000 23.500193 47.820274 925.282471
23.473129 955.000000 23.526190 49.783913 925.160583
23.499130 949.000000 23.552189 52.663963 925.038635
23.525131 973.000000 23.578190 56.781010 924.916748
23.551130 961.000000 23.604187 62.554649 924.794922
23.577129 992.000000 23.630184 70.481728 924.673279
23.603130 1005.000000 23.656185 81.061470 924.551819
23.629131 1037.000000 23.682184 94.630707 924.430664
23.655130 1063.000000 23.708181 111.043533 924.309814
23.681128 1089.000000 23.734177 129.154755 924.189453
23.707130 1163.000000 23.760178 146.755768 924.069458
23.733130 1218.000000 23.786177 162.336044 923.950073
23.759132 1267.000000 23.812178 177.402328 923.831177
23.785130 1282.000000 23.838173 194.844894 923.712891
23.811129 1274.000000 23.864172 215.467972 923.595276
23.837130 1239.000000 23.890171 238.055389 923.478394
23.863129 1204.000000 23.916166 260.353119 923.362305
23.889130 1142.000000 23.942167 276.908691 923.246948
23.915129 1096.000000 23.968164 278.664062 923.132507
23.941128 1069.000000 23.994162 261.283875 923.018921
23.967131 1030.000000 24.020164 232.267624 922.906250
23.993130 1024.000000 24.046162 204.037415 922.794556
24.019131 1024.000000 24.072161 184.464447 922.683899
24.045132 1024.000000 24.098160 175.841187 922.574280
24.071131 1037.000000 24.124157 177.094803 922.465698
24.097134 1050.000000 24.150158 185.469971 922.358215
24.123133 1043.000000 24.176157 195.439987 922.251953
24.149132 1056.000000 24.202154 199.117264 922.146729
24.175131 1043.000000 24.228151 190.101318 922.042786
24.201130 1030.000000 24.254150 169.458939 921.940002
24.227133 1024.000000 24.280151 144.617233 921.838501
24.253132 992.000000 24.306147 122.026459 921.738159
24.279133 980.000000 24.332148 104.333237 921.639160
24.305132 973.000000 24.358145 91.794235 921.541504
24.331131 955.000000 24.384142 83.272934 921.445068
24.357132 942.000000 24.410143 79.006630 921.349976
24.383129 949.000000 24.436138 78.147247 921.256226
24.409132 961.000000 24.462139 80.399918 921.163818
24.435131 967.000000 24.488138 85.511864 921.072754
24.461132 980.000000 24.514135 93.046494 920.983093
24.487131 986.000000 24.540133 102.023491 920.894775
24.513130 992.000000 24.566132 110.676971 920.807861
24.539131 992.000000 24.592131 116.823875 920.722290
24.565132 986.000000 24.618130 120.804619 920.638062
24.591131 980.000000 24.644129 123.566574 920.555237
24.617130 986.000000 24.670126 125.748360 920.473755
24.643131 986.000000 24.696125 125.764297 920.393677
24.669132 980.000000 24.722124 121.020668 920.314941
24.695131 967.000000 24.748121 111.229111 920.237549
24.721130 949.000000 24.774118 99.262024 920.161560
24.747131 942.000000 24.800119 88.219170 920.086792
24.773130 942.000000 24.826117 79.574371 920.013428
24.799133 942.000000 24.852118 73.482704 919.941345
24.825132 936.000000 24.878115 69.632103 919.870544
24.851131 924.000000 24.904112 67.518204 919.801025
24.877131 930.000000 24.930109 66.834427 919.732788
24.903130 936.000000 24.956106 67.354240 919.665710
24.929132 936.000000 24.982109 68.895065 919.599854
24.955132 942.000000 25.008106 71.473869 919.535217
24.981129 949.000000 25.034101 74.897850 919.471741
25.007132 955.000000 25.060104 79.900047 919.409363
25.033131 955.000000 25.086102 86.547112 919.348145
25.059132 967.000000 25.112099 95.381805 919.287964
25.085129 980.000000 25.138096 107.173599 919.228760
25.111130 1005.000000 25.164095 122.967018 919.170654
25.137131 1024.000000 25.190094 143.690430 919.113525
25.163132 1063.000000 25.216095 171.652710 919.057251
25.189131 1082.000000 25.242092 207.922043 919.001953
25.215130 1136.000000 25.268089 253.355301 918.947510
25.241129 1190.000000 25.294086 307.360596 918.893921
25.267132 1225.000000 25.320087 366.904480 918.841064
25.293131 1325.000000 25.346085 426.489716 918.788940
25.319130 1436.000000 25.372082 480.504028 918.737488
25.345131 1521.000000 25.398083 521.682495 918.686768
25.371130 1498.000000 25.424080 541.235107 918.636597
25.397131 1421.000000 25.450079 536.291260 918.586914
25.423130 1347.000000 25.476078 519.230408 918.537842
25.449131 1282.000000 25.502077 509.640656 918.489136
25.475130 1246.000000 25.528072 520.611816 918.440857
25.501129 1260.000000 25.554070 554.812378 918.392944
25.527132 1296.000000 25.580072 606.105591 918.345276
25.553131 1347.000000 25.606070 660.630676 918.297852
25.579130 1406.000000 25.632067 700.177917 918.250610
25.605129 1452.000000 25.658066 710.045410 918.203552
25.631130 1475.000000 25.684065 686.169006 918.156494
25.657131 1467.000000 25.710062 637.852844 918.109436
25.683128 1467.000000 25.736059 585.271667 918.062256
25.709131 1429.000000 25.762060 547.821594 918.015015
25.735130 1459.000000 25.788057 535.555542 917.967529
25.761129 1467.000000 25.814054 549.133362 917.919861
25.787128 1537.000000 25.840054 582.261169 917.871826
25.813129 1592.000000 25.866053 621.820801 917.823364
25.839130 1632.000000 25.892052 648.205017 917.774475
25.865131 1576.000000 25.918051 643.299622 917.725098
25.891130 1544.000000 25.944048 605.806519 917.675049
25.917130 1513.000000 25.970045 553.965881 917.624329
25.943129 1452.000000 25.996042 509.025543 917.572876
25.969131 1414.000000 26.022045 481.984802 917.520630
25.995131 1467.000000 26.048042 473.201599 917.467407
26.021130 1482.000000 26.074039 475.597290 917.413330
26.047131 1475.000000 26.100040 477.326172 917.358154
26.073130 1482.000000 26.126036 466.976471 917.301880
26.099131 1490.000000 26.152035 442.109863 917.244385
26.125130 1444.000000 26.178032 411.075928 917.185547
26.151131 1414.000000 26.204033 383.822021 917.125427
26.177130 1332.000000 26.230030 364.037262 917.063843
26.203129 1325.000000 26.256027 348.367126 917.000732
26.229132 1310.000000 26.282030 331.959503 916.936035
26.255131 1310.000000 26.308027 312.297180 916.869629
26.281128 1310.000000 26.334021 292.701782 916.801514
26.307129 1318.000000 26.360020 278.168549 916.731506
26.333130 1376.000000 26.386021 271.604584 916.659546
26.359131 1406.000000 26.412020 273.365570 916.585632
26.385128 1452.000000 26.438015 282.604950 916.509583
26.411129 1513.000000 26.464014 297.279724 916.431335
26.437130 1560.000000 26.490015 313.384918 916.350769
26.463129 1490.000000 26.516012 322.966553 916.267883
26.489128 1406.000000 26.542007 318.309753 916.182556
26.515129 1289.000000 26.568008 298.020233 916.094666
26.541128 1190.000000 26.594006 269.028503 916.004150
26.567131 1122.000000 26.620007 240.539627 915.910889
26.593130 1109.000000 26.646004 218.437256 915.814941
26.619129 1082.000000 26.672003 204.798019 915.715942
26.645128 1063.000000 26.698000 199.637939 915.614075
26.671127 1056.000000 26.723997 202.602875 915.509033
26.697130 1063.000000 26.749996 213.193604 915.400879
26.723129 1076.000000 26.775995 230.667953 915.289490
26.749130 1096.000000 26.801994 253.672211 915.174683
26.775129 1149.000000 26.827991 279.916229 915.056519
26.801128 1176.000000 26.853991 306.513641 914.934814
26.827129 1197.000000 26.879990 332.428833 914.809448
26.853130 1204.000000 26.905989 361.019287 914.680359
26.879129 1204.000000 26.931986 398.542725 914.547485
26.905128 1218.000000 26.957983 449.671875 914.410706
26.931129 1274.000000 26.983982 514.467834 914.269958
26.957130 1354.000000 27.009981 588.225891 914.125061
26.983128 1429.000000 27.035976 663.405457 913.976074
27.009132 1529.000000 27.061981 732.547913 913.822754
27.035131 1624.000000 27.087978 787.109680 913.665039
27.061131 1648.000000 27.113976 811.773804 913.502991
27.087132 1648.000000 27.139975 790.728943 913.336304
27.113131 1616.000000 27.165972 724.251282 913.165039
27.139132 1544.000000 27.191971 633.574280 912.989014
27.165131 1452.000000 27.217968 544.810120 912.808105
27.191132 1369.000000 27.243967 473.889038 912.622375
27.217131 1340.000000 27.269966 425.488892 912.431641
27.243130 1310.000000 27.295963 397.872864 912.235779
27.269133 1260.000000 27.321964 386.268005 912.034668
27.295132 1225.000000 27.347961 383.992828 911.828369
27.321131 1225.000000 27.373959 383.419678 911.616699
27.347130 1260.000000 27.399956 378.137848 911.399536
27.373131 1267.000000 27.425955 366.376312 911.176880
27.399132 1253.000000 27.451954 350.078522 910.948486
27.425133 1239.000000 27.477955 330.210327 910.714417
27.451132 1204.000000 27.503952 305.144470 910.474548
27.477131 1163.000000 27.529949 273.963043 910.228760
27.503130 1136.000000 27.555946 239.269806 909.976929
27.529133 1089.000000 27.581947 205.736633 909.719055
27.555132 1043.000000 27.607944 176.618576 909.455017
27.581129 1011.000000 27.633940 152.902283 909.184692
27.607132 999.000000 27.659941 134.087555 908.908081
27.633131 986.000000 27.685940 119.328613 908.624939
27.659132 980.000000 27.711939 107.820244 908.335327
27.685129 986.000000 27.737934 98.823524 908.039185
27.711128 973.000000 27.763931 91.843430 907.736328
27.737131 961.000000 27.789932 86.490761 907.426636
27.763130 961.000000 27.815929 82.495949 907.110168
27.789131 955.000000 27.841928 79.735512 906.786682
27.815130 967.000000 27.867926 78.048531 906.456299
27.841129 955.000000 27.893925 77.461990 906.118713
27.867130 973.000000 27.919924 78.041801 905.774048
27.893131 967.000000 27.945923 79.891006 905.421997
27.919130 961.000000 27.971918 83.134483 905.062744
27.945129 980.000000 27.997915 87.892883 904.696045
27.971130 992.000000 28.023916 94.219193 904.321777
27.997131 980.000000 28.049915 102.047531 903.939941
28.023130 992.000000 28.075912 111.128403 903.550537
28.049129 980.000000 28.101910 121.135887 903.153442
28.075130 999.000000 28.127911 132.061188 902.748474
28.101130 1043.000000 28.153908 144.803329 902.335693
28.127132 1063.000000 28.179907 160.926620 901.914917
28.153131 1109.000000 28.205904 182.441086 901.486206
28.179131 1163.000000 28.231903 210.915588 901.049377
28.205130 1239.000000 28.257900 247.069031 900.604431
28.231129 1246.000000 28.283897 289.975067 900.151245
28.257132 1376.000000 28.309898 336.722534 899.689758
28.283129 1459.000000 28.335894 382.060516 899.219971
28.309132 1513.000000 28.361897 418.571838 898.741699
28.335131 1521.000000 28.387892 436.653046 898.255005
28.361130 1521.000000 28.413889 429.149200 897.759766
28.387129 1475.000000 28.439886 397.975922 897.255920
28.413128 1414.000000 28.465885 354.634277 896.743347
28.439131 1310.000000 28.491886 312.240234 896.222046
28.465130 1218.000000 28.517883 278.872040 895.692078
28.491131 1170.000000 28.543882 257.062683 895.153198
28.517130 1136.000000 28.569880 246.075653 894.605408
28.543129 1122.000000 28.595879 243.605484 894.048706
28.569130 1116.000000 28.621876 246.830063 893.482971
28.595131 1149.000000 28.647875 252.133148 892.908081
28.621130 1136.000000 28.673872 255.538818 892.324219
28.647129 1102.000000 28.699869 253.752594 891.731201
28.673130 1069.000000 28.725870 246.501099 891.128784
28.699131 1076.000000 28.751869 237.435425 890.517212
28.725130 1069.000000 28.777866 231.709778 889.896362
28.751129 1037.000000 28.803864 232.981201 889.266174
28.777130 1037.000000 28.829863 242.407257 888.626587
28.803129 1063.000000 28.855860 258.929718 887.977478
28.829132 1076.000000 28.881861 279.360626 887.318848
28.855131 1136.000000 28.907858 298.256042 886.650757
28.881128 1149.000000 28.933853 308.361267 885.973267
28.907129 1149.000000 28.959854 303.370300 885.285889
28.933128 1122.000000 28.985851 282.575012 884.588989
28.959131 1102.000000 29.011852 251.811020 883.882385
28.985128 1050.000000 29.037846 219.215942 883.166260
29.011131 1030.000000 29.063847 190.256821 882.440186
29.037132 1011.000000 29.089848 166.857727 881.704224
29.063131 986.000000 29.115845 148.689697 880.958618
29.089130 961.000000 29.141842 134.546204 880.203308
29.115131 967.000000 29.167841 123.194702 879.437988
29.141130 961.000000 29.193838 113.673370 878.662842
29.167133 936.000000 29.219841 105.659760 877.877563
29.193132 955.000000 29.245836 99.358360 877.082642
29.219131 936.000000 29.271833 95.102982 876.277710
29.245131 936.000000 29.297831 92.966370 875.462769
29.271130 930.000000 29.323828 92.866882 874.637878
29.297132 924.000000 29.349831 94.491417 873.802734
29.323132 936.000000 29.375828 97.293404 872.957886
29.349133 955.000000 29.401827 100.461998 872.102783
29.375132 980.000000 29.427824 103.005783 871.237793
29.401131 1005.000000 29.453819 104.306084 870.362732
29.427132 1018.000000 29.479820 104.669952 869.477478
29.453133 1011.000000 29.505819 105.263206 868.582153
29.479132 1037.000000 29.531816 107.297195 867.676880
29.505131 1050.000000 29.557814 111.323097 866.761414
29.531132 1076.000000 29.583813 117.036125 865.835938
29.557133 1109.000000 29.609814 123.345940 864.900146
29.583130 1116.000000 29.635809 128.632812 863.954468
29.609131 1102.000000 29.661806 131.483429 862.998657
29.635132 1102.000000 29.687805 131.813095 862.032654
29.661131 1056.000000 29.713802 131.301437 861.056763
29.687130 1030.000000 29.739799 132.416214 860.070679
29.713131 1037.000000 29.765800 137.036469 859.074341
29.739132 1043.000000 29.791800 145.953323 858.067993
29.765131 1063.000000 29.817797 158.883362 857.051758
29.791130 1109.000000 29.843794 174.542679 856.025513
29.817131 1116.000000 29.869791 190.502548 854.989075
29.843130 1089.000000 29.895790 203.129547 853.942566
29.869133 1069.000000 29.921791 208.341522 852.886108
29.895132 1050.000000 29.947788 203.996063 851.819702
29.921131 1011.000000 29.973785 191.578857 850.743286
29.947130 986.000000 29.999783 175.789169 849.656982
29.973129 980.000000 30.025780 161.428589 848.560852
29.999132 961.000000 30.051783 151.466492 847.454468
30.025131 967.000000 30.077778 146.981201 846.338501
30.051132 986.000000 30.103777 147.994308 845.212524
30.077131 1030.000000 30.129774 153.891632 844.076843
30.103130 1076.000000 30.155771 163.729599 842.931396
30.129131 1116.000000 30.181772 176.059265 841.776001
30.155132 1170.000000 30.207771 188.655807 840.610962
30.181129 1218.000000 30.233767 199.522644 839.436340
30.207130 1253.000000 30.259766 206.733932 838.252014
30.233131 1303.000000 30.285763 209.653625 837.057983
30.259132 1325.000000 30.311762 208.850006 835.854370
30.285130 1303.000000 30.337759 205.964020 834.641235
30.311129 1239.000000 30.363756 203.385757 833.418762
30.337132 1197.000000 30.389757 203.727432 832.186523
30.363131 1176.000000 30.415754 207.941284 830.945068
30.389130 1142.000000 30.441751 215.278397 829.694214
30.415131 1109.000000 30.467751 223.400803 828.433899
30.441130 1076.000000 30.493750 229.223618 827.164429
30.467131 1076.000000 30.519747 230.323151 825.885803
30.493130 1096.000000 30.545744 226.774353 824.597961
30.519131 1102.000000 30.571743 219.874664 823.300903
30.545130 1069.000000 30.597740 210.931168 821.994995
30.571129 1043.000000 30.623737 200.139908 820.679932
30.597132 1030.000000 30.649740 187.591660 819.355652
30.623131 986.000000 30.675737 174.465179 818.022766
30.649130 980.000000 30.701735 162.716736 816.681152
30.675129 942.000000 30.727730 154.216934 815.330750
30.701130 924.000000 30.753729 149.986053 813.971497
30.727131 930.000000 30.779728 150.222046 812.603516
30.753132 930.000000 30.805729 154.605209 811.226990
30.779131 924.000000 30.831726 162.450287 809.842041
30.805130 942.000000 30.857723 172.731705 808.448669
30.831129 980.000000 30.883720 183.936142 807.046936
30.857132 986.000000 30.909721 195.301285 805.636658
30.883129 980.000000 30.935715 206.459839 804.218689
30.909130 1011.000000 30.961714 218.773636 802.792114
30.935131 1024.000000 30.987715 234.323471 801.357422
30.961130 1050.000000 31.013712 254.939346 799.914856
30.987129 1096.000000 31.039709 280.400726 798.464478
31.013128 1122.000000 31.065706 308.555298 797.006165
31.039131 1149.000000 31.091707 335.898804 795.539795
31.065130 1190.000000 31.117704 358.075256 794.066040
31.091129 1211.000000 31.143700 371.577179 792.584839
31.117130 1197.000000 31.169701 374.451721 791.095703
31.143129 1183.000000 31.195698 366.477142 789.599365
31.169130 1142.000000 31.221697 349.068878 788.095459
31.195129 1129.000000 31.247694 324.775940 786.584595
31.221130 1030.000000 31.273693 296.672699 785.066284
31.247129 1018.000000 31.299690 268.135071 783.541016
31.273129 986.000000 31.325689 242.411057 782.008606
31.299131 980.000000 31.351688 221.895462 780.469299
31.325130 955.000000 31.377686 207.706375 778.923401
31.351130 949.000000 31.403683 199.905563 777.370667
31.377129 949.000000 31.429680 197.945206 775.811279
31.403130 961.000000 31.455679 200.959045 774.245239
31.429131 955.000000 31.481678 208.004974 772.672913
31.455132 967.000000 31.507679 217.308167 771.093994
31.481129 986.000000 31.533674 226.264893 769.509155
31.507130 999.000000 31.559673 231.563889 767.917969
31.533129 967.000000 31.585669 229.911819 766.321045
31.559132 973.000000 31.611670 219.793076 764.717773
31.585129 955.000000 31.637665 202.678268 763.108887
31.611128 930.000000 31.663662 182.392044 761.494263
31.637131 918.000000 31.689663 162.871811 759.873718
31.663130 918.000000 31.715662 146.596756 758.247925
31.689129 924.000000 31.741659 134.460129 756.616638
31.715128 900.000000 31.767656 126.294388 754.980103
31.741127 918.000000 31.793652 121.629776 753.338440
31.767130 900.000000 31.819653 119.626282 751.691406
31.793129 894.000000 31.845650 119.388130 750.039551
31.819130 906.000000 31.871649 119.945290 748.382690
31.845129 888.000000 31.897648 120.446747 746.721069
31.871128 918.000000 31.923645 120.454041 745.054932
31.897129 930.000000 31.949644 120.202255 743.384094
31.923130 918.000000 31.975643 120.222046 741.708801
31.949129 961.000000 32.001640 120.694221 740.029297
31.975128 980.000000 32.027637 121.325470 738.345703
32.001129 992.000000 32.053635 121.417290 736.657959
32.027134 992.000000 32.079639 120.233856 734.965637
32.053131 973.000000 32.105633 117.334793 733.270264
32.079132 961.000000 32.131634 112.966484 731.570679
32.105133 918.000000 32.157631 108.051483 729.867798
32.131130 900.000000 32.183628 103.769539 728.161255
32.157131 870.000000 32.209625 101.016144 726.451355
32.183128 858.000000 32.235622 100.190140 724.738159
32.209133 847.000000 32.261627 101.177353 723.021423
32.235130 829.000000 32.287621 103.522720 721.302307
32.261131 829.000000 32.313622 106.660881 719.579773
32.287132 829.000000 32.339615 109.882896 717.854980
32.313129 824.000000 32.365612 112.519455 716.127319
32.339130 824.000000 32.391609 114.234848 714.397034
32.365131 812.000000 32.417610 115.260269 712.664062
32.391132 812.000000 32.443611 116.146690 710.928833
32.417130 824.000000 32.469604 117.539635 709.191833
32.443130 812.000000 32.495605 119.352402 707.452454
32.469131 812.000000 32.521603 121.200424 705.711182
32.495132 824.000000 32.547604 122.370438 703.967957
32.521130 829.000000 32.573597 123.680008 702.223511
32.547131 829.000000 32.599598 125.630035 700.477112
32.573132 835.000000 32.625595 129.284088 698.729431
32.599133 841.000000 32.651596 135.422806 696.980164
32.625130 847.000000 32.677593 144.253525 695.229980
32.651131 853.000000 32.703590 155.616852 693.478821
32.677132 853.000000 32.729591 169.238129 691.726318
32.703129 870.000000 32.755585 185.001144 689.973633
32.729134 870.000000 32.781586 203.224442 688.219604
32.755131 882.000000 32.807579 224.152802 686.465637
32.781128 930.000000 32.833576 247.329498 684.711060
32.807129 967.000000 32.859573 271.085480 682.956055
32.833130 992.000000 32.885574 292.519135 681.200562
32.859131 992.000000 32.911572 308.012329 679.445312
32.885128 1018.000000 32.937569 314.049438 677.690308
32.911129 1018.000000 32.963570 308.318268 675.935059
32.937130 986.000000 32.989567 291.151978 674.180359
32.963131 955.000000 33.015568 265.993073 672.425903
32.989128 930.000000 33.041561 238.066879 670.672668
33.015129 894.000000 33.067562 211.974243 668.919434
33.041130 882.000000 33.093559 190.437424 667.167236
33.067131 876.000000 33.119560 174.292145 665.415833
33.093132 858.000000 33.145557 163.250504 663.665894
33.119129 858.000000 33.171555 156.509583 661.916992
33.145130 858.000000 33.197552 153.151733 660.169373
33.171127 818.000000 33.223545 152.310806 658.423462
33.197132 829.000000 33.249550 153.130051 656.678467
33.223129 829.000000 33.275543 154.798096 654.935913
33.249130 807.000000 33.301544 156.575378 653.194702
33.275131 795.000000 33.327541 157.930267 651.455566
33.301128 790.000000 33.353539 158.744598 649.718506
33.327133 778.000000 33.379539 159.121506 647.983582
33.353130 773.000000 33.405537 159.286728 646.251038
33.379131 762.000000 33.431534 159.715607 644.520996
33.405128 778.000000 33.457531 161.045334 642.793457
33.431129 756.000000 33.483532 164.263367 641.068481
33.457130 756.000000 33.509529 170.159149 639.346436
33.483128 762.000000 33.535526 179.332916 637.627319
33.509132 767.000000 33.561527 192.161713 635.910950
33.535130 773.000000 33.587524 208.725555 634.198181
33.561131 756.000000 33.613522 228.707245 632.488586
33.587128 767.000000 33.639515 251.344101 630.782593
33.613129 790.000000 33.665512 275.551483 629.079895
33.639130 812.000000 33.691513 299.962402 627.380554
33.665131 818.000000 33.717510 323.207642 625.685364
33.691132 818.000000 33.743511 344.422974 623.993713
33.717129 864.000000 33.769505 363.881653 622.306519
33.743130 918.000000 33.795506 382.996552 620.622925
33.769131 949.000000 33.821507 403.180725 618.943665
33.795132 949.000000 33.847504 424.443726 617.268860
33.821129 1005.000000 33.873501 444.746735 615.598511
33.847130 1018.000000 33.899498 461.564087 613.932739
33.873131 1063.000000 33.925499 472.566711 612.271484
33.899132 1056.000000 33.951496 477.433197 610.615173
33.925129 1043.000000 33.977493 477.328949 608.963745
33.951130 1024.000000 34.003490 473.886292 607.317322
33.977131 980.000000 34.029491 469.081879 605.675781
34.003132 949.000000 34.055489 464.720001 604.039795
34.029133 936.000000 34.081486 461.953735 602.409058
34.055134 930.000000 34.107483 460.235260 600.783691
34.081131 955.000000 34.133480 457.000580 599.163940
34.107132 924.000000 34.159481 448.673645 597.549683
34.133133 906.000000 34.185478 432.939545 595.941345
34.159134 894.000000 34.211479 410.560791 594.338562
34.185131 888.000000 34.237473 385.192810 592.742249
34.211128 858.000000 34.263470 361.172577 591.151917
34.237133 864.000000 34.289471 341.462769 589.567322
34.263130 853.000000 34.315468 326.949554 587.989319
34.289131 841.000000 34.341465 316.784119 586.417603
34.315132 829.000000 34.367466 308.997192 584.852234
34.341129 829.000000 34.393459 301.247528 583.293823
34.367134 812.000000 34.419464 291.647705 581.741333
34.393131 812.000000 34.445457 279.353882 580.196289
34.419132 812.000000 34.471458 264.894897 578.657654
34.445129 795.000000 34.497452 249.282013 577.126465
34.471130 778.000000 34.523449 233.956863 575.602051
34.497131 751.000000 34.549450 220.435303 574.084473
34.523132 745.000000 34.575447 209.893127 572.574341
34.549133 729.000000 34.601448 202.784988 571.071411
34.575130 713.000000 34.627441 198.811356 569.576233
34.601131 713.000000 34.653442 197.047211 568.088013
34.627132 724.000000 34.679440 196.229523 566.607666
34.653133 708.000000 34.705441 195.087967 565.134827
34.679131 697.000000 34.731434 192.693375 563.669983
34.705132 708.000000 34.757435 188.615494 562.212524
34.731133 718.000000 34.783432 182.755203 560.763245
34.757133 718.000000 34.809433 175.043518 559.321655
34.783131 713.000000 34.835426 165.440399 557.888733
34.809132 702.000000 34.861427 154.310760 556.463379
34.835133 676.000000 34.887424 142.442993 555.046448
34.861130 666.000000 34.913422 130.820267 553.637756
34.887131 666.000000 34.939419 120.130257 552.237610
34.913132 650.000000 34.965420 110.619896 550.845520
34.939133 645.000000 34.991413 102.231529 549.462341
34.965130 640.000000 35.017410 94.840042 548.087585
34.991131 630.000000 35.043407 88.407883 546.721497
35.017132 635.000000 35.069408 82.973846 545.363892
35.043129 635.000000 35.095406 78.556984 544.015198
35.069130 645.000000 35.121403 75.091278 542.675354
35.095131 655.000000 35.147404 72.523216 541.344299
35.121132 650.000000 35.173401 70.636070 540.022461
35.147129 660.000000 35.199398 69.200264 538.709534
35.173130 671.000000 35.225395 67.980598 537.405701
35.199131 676.000000 35.251396 66.822426 536.110901
35.225132 676.000000 35.277393 65.669952 534.825500
35.251129 655.000000 35.303391 64.710274 533.549316
35.277130 650.000000 35.329388 64.243523 532.282471
35.303131 655.000000 35.355389 64.608757 531.024780
35.329132 650.000000 35.381386 66.089188 529.776855
35.355133 640.000000 35.407387 68.883293 528.538086
35.381130 630.000000 35.433376 73.098389 527.309387
35.407131 625.000000 35.459377 78.756989 526.089722
35.433128 650.000000 35.485371 85.765625 524.880066
35.459133 671.000000 35.511375 93.895149 523.679626
35.485130 676.000000 35.537369 102.704201 522.489380
35.511127 681.000000 35.563366 111.446129 521.308655
35.537132 671.000000 35.589367 119.388344 520.137573
35.563129 660.000000 35.615364 125.557854 518.976624
35.589130 666.000000 35.641361 129.431961 517.825439
35.615128 650.000000 35.667358 131.158646 516.684204
35.641129 645.000000 35.693356 131.486649 515.552917
35.667130 630.000000 35.719357 131.289200 514.431519
35.693130 615.000000 35.745354 130.967026 513.320190
35.719131 600.000000 35.771355 130.364182 512.218811
35.745129 610.000000 35.797352 128.911865 511.127655
35.771130 610.000000 35.823349 126.100014 510.046692
35.797131 620.000000 35.849350 121.944984 508.975647
35.823132 615.000000 35.875343 116.880646 507.915100
35.849129 605.000000 35.901340 111.636078 506.864532
35.875130 620.000000 35.927338 106.786110 505.824249
35.901131 600.000000 35.953339 102.750008 504.794067
35.927132 615.000000 35.979336 99.681602 503.774261
35.953133 610.000000 36.005337 97.774246 502.764587
35.979130 620.000000 36.031330 97.171822 501.765503
36.005131 630.000000 36.057331 97.953148 500.776489
36.031128 630.000000 36.083324 99.980927 499.798065
36.057133 630.000000 36.109329 102.813080 498.829529
36.083130 635.000000 36.135323 105.837151 497.871765
36.109131 635.000000 36.161324 108.181847 496.924164
36.135132 640.000000 36.187321 108.939171 495.987061
36.161129 610.000000 36.213318 107.580643 495.060272
36.187130 615.000000 36.239315 103.888397 494.143921
36.213127 625.000000 36.265312 98.288864 493.237946
36.239132 620.000000 36.291313 91.504036 492.342316
36.265129 600.000000 36.317310 84.240532 491.457153
36.291130 595.000000 36.343304 77.168701 490.582520
36.317131 586.000000 36.369305 70.723167 489.718018
36.343128 576.000000 36.395298 65.210930 488.864288
36.369129 581.000000 36.421299 60.757832 488.020630
36.395130 562.000000 36.447296 57.367821 487.187469
36.421131 571.000000 36.473297 54.964561 486.364594
36.447128 571.000000 36.499290 53.449448 485.552429
36.473129 557.000000 36.525291 52.727985 484.750275
36.499130 566.000000 36.551289 52.718025 483.958679
36.525131 562.000000 36.577290 53.355331 483.177307
36.551128 576.000000 36.603283 54.553501 482.406494
36.577129 571.000000 36.629284 56.230240 481.645844
36.603130 586.000000 36.655281 58.263119 480.895569
36.629131 576.000000 36.681282 60.461819 480.155487
36.655128 600.000000 36.707275 62.710297 479.425903
36.681129 590.000000 36.733276 64.848183 478.706421
36.707130 586.000000 36.759274 66.849281 477.997223
36.733128 571.000000 36.785267 68.919556 477.298340
36.759132 571.000000 36.811268 71.406342 476.609497
36.785130 605.000000 36.837265 74.674843 475.930969
36.811127 590.000000 36.863258 78.982750 475.262573
36.837128 586.000000 36.889259 84.420265 474.604187
36.863129 581.000000 36.915257 90.924698 473.955933
36.889130 571.000000 36.941257 98.285278 473.317688
36.915127 581.000000 36.967251 106.436829 472.689728
36.941128 581.000000 36.993252 115.136932 472.071533
36.967129 600.000000 37.019249 124.161819 471.463348
36.993130 600.000000 37.045250 133.073090 470.865021
37.019131 590.000000 37.071247 141.145065 470.276733
37.045132 610.000000 37.097248 147.958618 469.698181
37.071129 600.000000 37.123241 152.944107 469.129639
37.097134 600.000000 37.149246 156.156219 468.570618
37.123131 600.000000 37.175240 158.141769 468.021667
37.149132 615.000000 37.201241 159.590256 467.482178
37.175133 605.000000 37.227238 160.922791 466.952484
37.201130 595.000000 37.253231 162.038208 466.432434
37.227131 605.000000 37.279228 162.263901 465.921906
37.253132 605.000000 37.305229 160.692612 465.420868
37.279133 600.000000 37.331226 156.657959 464.929352
37.305130 600.000000 37.357224 150.019241 464.447266
37.331131 605.000000 37.383221 141.409821 463.974579
37.357132 605.000000 37.409222 131.851074 463.511169
37.383129 605.000000 37.435215 122.436790 463.057159
37.409130 605.000000 37.461216 114.028618 462.612244
37.435131 600.000000 37.487213 107.275963 462.176544
37.461132 610.000000 37.513214 102.486130 461.749939
37.487129 605.000000 37.539207 99.793114 461.332520
37.513130 595.000000 37.565208 99.111359 460.924011
37.539131 595.000000 37.591206 100.478050 460.524445
37.565132 605.000000 37.617207 103.740257 460.133789
37.591129 600.000000 37.643200 108.802231 459.752014
37.617130 600.000000 37.669201 115.546181 459.378967
37.643131 595.000000 37.695198 123.908798 459.014679
37.669132 600.000000 37.721191 133.757645 458.659058
37.695129 615.000000 37.747189 144.876587 458.311981
37.721130 630.000000 37.773186 156.947205 457.973358
37.747131 630.000000 37.799187 169.605194 457.643250
37.773129 645.000000 37.825180 182.479843 457.321594
37.799133 671.000000 37.851185 195.334045 457.008057
37.825130 666.000000 37.877178 207.754745 456.702972
37.851131 660.000000 37.903179 219.091934 456.406006
37.877129 676.000000 37.929173 228.307968 456.117188
37.903130 686.000000 37.955173 234.166718 455.836365
37.929131 671.000000 37.981171 235.519012 455.563507
37.955132 655.000000 38.007172 231.679626 455.298553
37.981129 660.000000 38.033165 222.787659 455.041504
38.007130 650.000000 38.059166 209.822189 454.792114
38.033131 630.000000 38.085163 194.475708 454.550476
38.059132 605.000000 38.111164 178.757263 454.316406
38.085129 605.000000 38.137157 164.377838 454.089905
38.111130 605.000000 38.163158 152.437286 453.870789
38.137131 605.000000 38.189152 143.369415 453.659119
38.163132 600.000000 38.215153 137.076599 453.454681
38.189129 581.000000 38.241146 133.168198 453.257538
38.215130 581.000000 38.267147 131.178696 453.067444
38.241127 590.000000 38.293140 130.718323 452.884491
38.267132 581.000000 38.319145 131.546936 452.708435
38.293129 566.000000 38.345139 133.509537 452.539368
38.319130 566.000000 38.371140 136.523636 452.377045
38.345131 566.000000 38.397137 140.371048 452.221466
38.371128 571.000000 38.423134 144.630157 452.072540
38.397133 581.000000 38.449135 148.703873 451.930176
38.423130 586.000000 38.475128 151.818695 451.794342
38.449131 595.000000 38.501129 153.253265 451.664825
38.475128 620.000000 38.527122 152.446732 451.541718
38.501129 615.000000 38.553123 149.174850 451.424774
38.527130 600.000000 38.579121 143.582306 451.313965
38.553131 600.000000 38.605122 136.195999 451.209167
38.579132 586.000000 38.631119 127.905533 451.110413
38.605129 576.000000 38.657112 119.816322 451.017517
38.631130 566.000000 38.683109 112.862137 450.930450
38.657131 562.000000 38.709110 107.686844 450.849030
38.683128 552.000000 38.735104 104.560928 450.773254
38.709129 562.000000 38.761105 103.500137 450.702972
38.735130 543.000000 38.787102 104.332787 450.638123
38.761131 557.000000 38.813103 106.780807 450.578644
38.787128 562.000000 38.839096 110.524529 450.524445
38.813129 581.000000 38.865097 115.226402 450.475342
38.839130 552.000000 38.891094 120.545059 450.431366
38.865131 557.000000 38.917095 126.109505 450.392365
38.891129 576.000000 38.943089 131.511627 450.358276
38.917130 557.000000 38.969086 136.366547 450.328949
38.943130 548.000000 38.995087 140.396210 450.304352
38.969131 543.000000 39.021084 143.583084 450.284363
38.995129 562.000000 39.047081 146.164246 450.268921
39.021133 566.000000 39.073082 148.454605 450.257904
39.047131 552.000000 39.099079 150.685303 450.251190
39.073132 581.000000 39.125072 152.722305 450.248779
39.099133 557.000000 39.151073 154.227051 450.250488
39.125134 557.000000 39.177071 154.763779 450.256287
39.151131 552.000000 39.203068 154.123566 450.266052
39.177132 576.000000 39.229065 152.117477 450.279663
39.203133 552.000000 39.255066 148.605576 450.297089
39.229134 581.000000 39.281063 143.439453 450.318207
39.255135 552.000000 39.307064 136.482956 450.342926
39.281128 562.000000 39.333054 128.070877 450.371124
39.307133 552.000000 39.359058 118.619263 450.402771
39.333130 562.000000 39.385052 108.845482 450.437714
39.359135 538.000000 39.411053 99.435867 450.475891
39.385132 543.000000 39.437050 90.912514 450.517181
39.411129 543.000000 39.463043 83.548080 450.561523
39.437134 543.000000 39.489048 77.417023 450.608826
39.463131 529.000000 39.515041 72.487244 450.658966
39.489132 520.000000 39.541042 68.641502 450.711884
39.515129 520.000000 39.567036 65.749451 450.767456
39.541130 511.000000 39.593033 63.706497 450.825592
39.567131 529.000000 39.619030 62.415390 450.886261
39.593132 515.000000 39.645031 61.805714 450.949280
39.619133 502.000000 39.671028 61.827251 451.014618
39.645130 506.000000 39.697025 62.418850 451.082153
39.671131 502.000000 39.723022 63.580688 451.151794
39.697132 493.000000 39.749020 65.248047 451.223511
39.723133 493.000000 39.775021 67.381149 451.297119
39.749130 511.000000 39.801014 69.976433 451.372589
39.775131 515.000000 39.827015 73.056885 451.449768
39.801132 506.000000 39.853012 76.692215 451.528656
39.827133 502.000000 39.879013 80.967506 451.609131
39.853130 534.000000 39.905006 85.918381 451.691040
39.879131 529.000000 39.931007 91.496498 451.774384
39.905132 538.000000 39.957005 97.533272 451.859009
39.931129 543.000000 39.983002 103.732193 451.944855
39.957130 543.000000 40.008999 109.770294 452.031830
39.983131 557.000000 40.035000 115.265518 452.119873
40.009125 566.000000 40.060986 119.929726 452.208771
40.035130 562.000000 40.086987 123.692116 452.298615
40.061131 566.000000 40.112988 126.644547 452.389252
40.087128 571.000000 40.138981 128.968643 452.480530
40.113129 562.000000 40.164982 130.695526 452.572449
40.139126 576.000000 40.190975 131.652237 452.664856
40.165134 566.000000 40.216984 131.470825 452.757782
40.191132 557.000000 40.242977 130.054550 452.850983
40.217129 557.000000 40.268974 127.451241 452.944458
40.243130 562.000000 40.294971 124.150597 453.038147
40.269127 566.000000 40.320969 120.856163 453.131897
40.295128 566.000000 40.346966 118.219559 453.225708
40.321129 557.000000 40.372963 116.616539 453.319427
40.347134 552.000000 40.398968 116.165154 453.413025
40.373131 562.000000 40.424961 116.750275 453.506409
40.399128 571.000000 40.450958 118.181488 453.599426
40.425129 581.000000 40.476955 120.267853 453.692139
40.451130 600.000000 40.502956 122.947670 453.784332
40.477127 620.000000 40.528950 125.994270 453.875977
40.503128 630.000000 40.554947 129.604630 453.967041
40.529129 625.000000 40.580944 133.445724 454.057404
40.555134 630.000000 40.606945 137.169937 454.146973
40.581131 650.000000 40.632942 140.302536 454.235718
40.607128 645.000000 40.658936 142.351532 454.323517
40.633125 625.000000 40.684933 142.920563 454.410339
40.659126 620.000000 40.710930 141.958557 454.496094
40.685127 625.000000 40.736931 139.592209 454.580688
40.711132 620.000000 40.762932 136.219177 454.664093
40.737129 605.000000 40.788929 132.329193 454.746216
40.763130 605.000000 40.814926 128.385712 454.826965
40.789127 595.000000 40.840923 124.709587 454.906250
40.815128 590.000000 40.866920 121.336395 454.984070
40.841133 581.000000 40.892921 118.377151 455.060333
40.867126 576.000000 40.918915 115.615402 455.134949
40.893127 576.000000 40.944912 112.899849 455.207855
40.919128 576.000000 40.970913 110.194038 455.279022
40.945133 571.000000 40.996914 107.514267 455.348358
40.971130 557.000000 41.022907 105.053879 455.415771
40.997128 576.000000 41.048901 102.988388 455.481232
41.023125 576.000000 41.074898 101.375542 455.544647
41.049126 571.000000 41.100895 100.232803 455.606018
41.075130 571.000000 41.126896 99.511711 455.665253
41.101131 571.000000 41.152897 99.150780 455.722260
41.127129 576.000000 41.178890 99.136597 455.776978
41.153130 581.000000 41.204891 99.537376 455.829407
41.179127 557.000000 41.230885 100.459564 455.879425
41.205132 605.000000 41.256889 102.022423 455.927032
41.231125 610.000000 41.282879 104.311790 455.972107
41.257130 590.000000 41.308884 107.350525 456.014679
41.283127 590.000000 41.334877 111.026848 456.054596
41.309128 600.000000 41.360874 115.205124 456.091888
41.335129 605.000000 41.386875 119.575752 456.126465
41.361130 615.000000 41.412872 123.816628 456.158264
41.387131 625.000000 41.438873 127.650620 456.187256
41.413124 635.000000 41.464863 130.882111 456.213379
41.439125 635.000000 41.490864 133.445984 456.236603
41.465130 635.000000 41.516861 135.439911 456.256866
41.491127 640.000000 41.542854 136.942551 456.274109
41.517128 620.000000 41.568855 138.091354 456.288330
41.543129 620.000000 41.594852 139.082184 456.299438
41.569130 655.000000 41.620853 140.237717 456.307373
41.595131 625.000000 41.646851 141.977081 456.312164
41.621128 635.000000 41.672848 144.705338 456.313721
41.647129 630.000000 41.698845 148.650925 456.312012
41.673126 660.000000 41.724842 153.755447 456.306976
41.699123 681.000000 41.750835 159.590530 456.298584
41.725128 708.000000 41.776836 165.446167 456.286835
41.751133 686.000000 41.802841 170.411942 456.271637
41.777130 686.000000 41.828835 173.550842 456.252991
41.803127 660.000000 41.854832 174.147995 456.230835
41.829124 655.000000 41.880825 171.917419 456.205170
41.855129 640.000000 41.906830 167.116211 456.175903
41.881126 640.000000 41.932823 160.402817 456.143097
41.907127 625.000000 41.958820 152.583725 456.106628
41.933128 590.000000 41.984821 144.363205 456.066498
41.959129 600.000000 42.010815 136.278488 456.022705
41.985130 586.000000 42.036816 128.715851 455.975159
42.011127 571.000000 42.062809 121.972961 455.923920
42.037125 571.000000 42.088806 116.242996 455.868866
42.063126 576.000000 42.114803 111.587914 455.810028
42.089123 571.000000 42.140797 107.905663 455.747406
42.115131 571.000000 42.166805 104.953224 455.680878
42.141132 566.000000 42.192802 102.407639 455.610504
42.167130 562.000000 42.218800 99.948608 455.536255
42.193127 552.000000 42.244793 97.357948 455.458099
42.219124 562.000000 42.270790 94.572662 455.376007
42.245132 562.000000 42.296795 91.678055 455.289917
42.271126 562.000000 42.322784 88.867050 455.199951
42.297127 552.000000 42.348785 86.341873 455.105957
42.323128 552.000000 42.374783 84.258110 455.007965
42.349129 557.000000 42.400784 82.677582 454.905975
42.375130 576.000000 42.426781 81.619759 454.799957
42.401127 586.000000 42.452778 80.973907 454.689880
42.427124 590.000000 42.478771 80.652008 454.575775
42.453125 600.000000 42.504765 80.460419 454.457611
42.479126 586.000000 42.530766 80.212990 454.335358
42.505131 571.000000 42.556767 79.745918 454.209045
42.531128 566.000000 42.582764 78.961372 454.078613
42.557129 571.000000 42.608761 77.872147 453.944122
42.583126 571.000000 42.634758 76.580933 453.805511
42.609123 552.000000 42.660751 75.240379 453.662811
42.635124 529.000000 42.686749 74.003044 453.516022
42.661129 538.000000 42.712753 72.949371 453.365051
42.687126 543.000000 42.738747 72.200211 453.210022
42.713127 529.000000 42.764748 71.800461 453.050842
42.739124 524.000000 42.790741 71.843430 452.887604
42.765129 524.000000 42.816742 72.448402 452.720184
42.791130 511.000000 42.842743 73.771187 452.548645
42.817123 515.000000 42.868732 75.897568 452.373077
42.843128 506.000000 42.894737 78.852921 452.193329
42.869125 506.000000 42.920731 82.569412 452.009521
42.895126 506.000000 42.946732 86.864227 451.821594
42.921127 497.000000 42.972729 91.466011 451.629578
42.947128 506.000000 42.998722 95.998459 451.433502
42.973129 515.000000 43.024723 100.004044 451.233307
42.999123 520.000000 43.050713 102.952339 451.029114
43.025131 515.000000 43.076721 104.321037 450.820740
43.051132 515.000000 43.102718 103.716919 450.608429
43.077129 520.000000 43.128716 100.997726 450.392029
43.103134 511.000000 43.154716 96.392410 450.171631
43.129128 511.000000 43.180706 90.413651 449.947266
43.155136 493.000000 43.206715 83.814186 449.718750
43.181133 484.000000 43.232708 77.250847 449.486450
43.207130 484.000000 43.258705 71.259010 449.250092
43.233128 480.000000 43.284698 66.148186 449.009827
43.259129 488.000000 43.310696 62.020596 448.765594
43.285133 488.000000 43.336700 58.863266 448.517395
43.311134 497.000000 43.362698 56.577087 448.265381
43.337132 502.000000 43.388695 55.025425 448.009460
43.363132 502.000000 43.414692 54.059795 447.749725
43.389130 493.000000 43.440689 53.535992 447.486176
43.415131 488.000000 43.466686 53.300236 447.218781
43.441132 497.000000 43.492683 53.219929 446.947632
43.467133 497.000000 43.518681 53.179752 446.672668
43.493126 502.000000 43.544670 53.075115 446.394104
43.519131 488.000000 43.570675 52.850636 446.111633
43.545135 480.000000 43.596676 52.501240 445.825500
43.571133 493.000000 43.622669 52.055763 445.535828
43.597130 488.000000 43.648666 51.577190 445.242462
43.623127 493.000000 43.674660 51.144825 444.945587
43.649132 493.000000 43.700665 50.837955 444.644958
43.675133 488.000000 43.726662 50.707546 444.340881
43.701134 484.000000 43.752659 50.777237 444.033295
43.727131 467.000000 43.778656 51.043682 443.722229
43.753132 467.000000 43.804653 51.482216 443.407684
43.779129 475.000000 43.830650 52.111671 443.089783
43.805130 480.000000 43.856647 52.944752 442.768402
43.831131 488.000000 43.882645 54.028332 442.443726
43.857132 488.000000 43.908646 55.404476 442.115723
43.883129 484.000000 43.934639 57.077095 441.784485
43.909130 488.000000 43.960640 58.996559 441.449890
43.935131 506.000000 43.986637 61.042809 441.112122
43.961136 497.000000 44.012638 63.031239 440.771149
43.987129 497.000000 44.038628 64.719521 440.427246
44.013130 484.000000 44.064625 65.881126 440.080017
44.039124 488.000000 44.090618 66.316788 439.729889
44.065132 484.000000 44.116623 65.934074 439.376526
44.091129 502.000000 44.142620 64.794426 439.020264
44.117130 480.000000 44.168617 63.105869 438.661133
44.143135 497.000000 44.194618 61.188843 438.298950
44.169128 520.000000 44.220612 59.387482 437.934082
44.195133 515.000000 44.246613 57.990799 437.566284
44.221130 511.000000 44.272610 57.193127 437.195679
44.247131 484.000000 44.298607 57.072109 436.822388
44.273129 502.000000 44.324600 57.627354 436.446411
44.299126 502.000000 44.350597 58.853340 436.067810
44.325134 511.000000 44.376602 60.645584 435.686462
44.351135 529.000000 44.402603 62.919170 435.302551
44.377132 511.000000 44.428596 65.609726 434.916260
44.403130 493.000000 44.454590 68.680359 434.527527
44.429127 502.000000 44.480587 72.123688 434.136230
44.455132 502.000000 44.506588 75.947563 433.742554
44.481129 502.000000 44.532581 80.160812 433.346588
44.507133 529.000000 44.558582 84.746704 432.948273
44.533127 520.000000 44.584572 89.747498 432.547913
44.559132 520.000000 44.610577 95.045006 432.145020
44.585133 520.000000 44.636574 100.475266 431.740143
44.611130 515.000000 44.662571 105.810936 431.333099
44.637127 524.000000 44.688564 110.737587 430.924133
44.663128 520.000000 44.714561 114.915222 430.513092
44.689125 534.000000 44.740559 118.061417 430.100037
44.715134 543.000000 44.766563 120.003159 429.684998
44.741135 534.000000 44.792564 120.720345 429.268127
44.767132 538.000000 44.818558 120.338989 428.849518
44.793129 538.000000 44.844551 119.089508 428.429199
44.819126 529.000000 44.870548 117.264229 428.007019
44.845131 538.000000 44.896549 115.177368 427.583221
44.871132 520.000000 44.922550 113.144852 427.157776
44.897125 511.000000 44.948540 111.473198 426.730865
44.923130 515.000000 44.974541 110.399208 426.302338
44.949131 524.000000 45.000542 110.101257 425.872253
44.975132 502.000000 45.026539 110.656761 425.440887
45.001129 493.000000 45.052528 112.046928 425.008270
45.027126 497.000000 45.078526 114.152077 424.574158
45.053131 506.000000 45.104527 116.761208 424.138763
45.079124 529.000000 45.130520 119.607483 423.702209
45.105133 520.000000 45.156525 122.448784 423.264374
45.131130 534.000000 45.182518 125.047745 422.825623
45.157131 520.000000 45.208519 127.264709 422.385590
45.183128 520.000000 45.234512 129.031631 421.944733
45.209126 543.000000 45.260509 130.380859 421.502869
45.235130 538.000000 45.286510 131.366608 421.059937
45.261131 534.000000 45.312508 132.104385 420.616302
45.287128 529.000000 45.338505 132.747650 420.171753
45.313129 520.000000 45.364502 133.437500 419.726562
45.339127 529.000000 45.390499 134.245789 419.280609
45.365135 534.000000 45.416504 135.129883 418.833801
45.391129 534.000000 45.442493 135.904953 418.386749
45.417130 524.000000 45.468494 136.217712 417.938843
45.443130 520.000000 45.494492 135.669556 417.490570
45.469128 515.000000 45.520485 133.857712 417.041931
45.495129 506.000000 45.546486 130.582108 416.592651
45.521130 493.000000 45.572479 125.920341 416.143219
45.547134 493.000000 45.598484 120.217461 415.693298
45.573128 484.000000 45.624474 114.022919 415.243286
45.599129 484.000000 45.650471 107.918816 414.793030
45.625130 497.000000 45.676472 102.397812 414.342468
45.651131 488.000000 45.702469 97.784531 413.891968
45.677128 471.000000 45.728466 94.234474 413.441345
45.703129 471.000000 45.754463 91.738762 412.990692
45.729126 480.000000 45.780457 90.189957 412.540192
45.755135 467.000000 45.806465 89.428207 412.089447
45.781132 467.000000 45.832458 89.243874 411.639191
45.807129 488.000000 45.858452 89.454323 411.189087
45.833126 484.000000 45.884449 89.885666 410.739105
45.859127 480.000000 45.910446 90.397781 410.289459
45.885128 480.000000 45.936447 90.895012 409.840088
45.911133 493.000000 45.962448 91.318924 409.390991
45.937126 502.000000 45.988438 91.648712 408.942627
45.963131 493.000000 46.014442 91.859291 408.494385
45.989128 484.000000 46.040436 92.005318 408.046875
46.015129 497.000000 46.066437 92.074310 407.599854
46.041130 493.000000 46.092430 92.065323 407.153442
46.067127 493.000000 46.118423 91.973122 406.707764
46.093124 488.000000 46.144421 91.789703 406.262695
46.119125 497.000000 46.170418 91.504761 405.818390
46.145134 520.000000 46.196423 91.224701 405.374756
46.171131 515.000000 46.222420 91.048309 404.931976
46.197128 488.000000 46.248413 91.127045 404.490234
46.223125 502.000000 46.274410 91.615341 404.049286
46.249126 502.000000 46.300407 92.631668 403.609314
46.275131 506.000000 46.326408 94.220055 403.170319
46.301132 502.000000 46.352409 96.373192 402.732239
46.327129 511.000000 46.378403 99.034103 402.295471
46.353130 502.000000 46.404400 102.123070 401.859772
46.379128 506.000000 46.430397 105.537727 401.425171
46.405128 515.000000 46.456394 109.178139 400.991821
46.431126 529.000000 46.482391 112.927780 400.559662
46.457130 515.000000 46.508392 116.665672 400.128784
46.483124 529.000000 46.534382 120.262810 399.699371
46.509129 538.000000 46.560387 123.601974 399.271057
46.535130 543.000000 46.586384 126.572609 398.844299
46.561131 534.000000 46.612381 129.067184 398.418884
46.587128 515.000000 46.638374 130.989624 397.995117
46.613125 524.000000 46.664368 132.257462 397.572815
46.639122 529.000000 46.690365 132.757401 397.151917
46.665131 524.000000 46.716370 132.454376 396.732574
46.691128 515.000000 46.742363 131.419510 396.315002
46.717129 520.000000 46.768364 129.851730 395.898895
46.743130 529.000000 46.794361 128.069748 395.484589
46.769127 506.000000 46.820354 126.422272 395.071960
46.795128 497.000000 46.846355 125.264946 394.661072
46.821129 524.000000 46.872353 124.844170 394.251953
46.847130 520.000000 46.898350 125.370781 393.844635
46.873127 502.000000 46.924347 126.867760 393.439209
46.899124 515.000000 46.950340 129.272095 393.035583
46.925129 520.000000 46.976345 132.457718 392.633789
46.951134 538.000000 47.002346 136.206680 392.233978
46.977127 529.000000 47.028336 140.250702 391.836243
47.003128 529.000000 47.054337 144.273132 391.440338
47.029121 571.000000 47.080326 147.889725 391.046631
47.055130 566.000000 47.106331 150.823578 390.654633
47.081127 576.000000 47.132328 152.796783 390.264893
47.107128 566.000000 47.158321 153.706589 389.877258
47.133125 595.000000 47.184319 153.621750 389.491699
47.159126 600.000000 47.210316 152.765335 389.108276
47.185131 586.000000 47.236317 151.432999 388.726898
47.211128 595.000000 47.262314 149.907974 388.347809
47.237125 581.000000 47.288307 148.396530 387.970917
47.263126 581.000000 47.314304 146.988281 387.596252
47.289124 586.000000 47.340302 145.663483 387.223846
47.315132 586.000000 47.366306 144.284546 386.853516
47.341133 581.000000 47.392303 142.659882 386.485626
47.367130 571.000000 47.418301 140.570908 386.120056
47.393127 557.000000 47.444294 137.845825 385.756775
47.419125 552.000000 47.470291 134.403351 385.395874
47.445129 548.000000 47.496292 130.289993 385.037170
47.471127 552.000000 47.522285 125.652924 384.681030
47.497124 534.000000 47.548283 120.693283 384.327209
47.523125 529.000000 47.574280 115.609467 383.975739
47.549129 515.000000 47.600281 110.560265 383.626678
47.575130 520.000000 47.626282 105.674698 383.279968
47.601128 511.000000 47.652275 101.023651 382.935913
47.627125 493.000000 47.678268 96.647202 382.594238
47.653126 480.000000 47.704266 92.570854 382.254974
47.679123 484.000000 47.730259 88.818108 381.918274
47.705132 480.000000 47.756264 85.412193 381.583862
47.731129 462.000000 47.782261 82.383591 381.252075
47.757130 471.000000 47.808258 79.766907 380.922791
47.783127 480.000000 47.834255 77.585999 380.596008
47.809124 471.000000 47.860249 75.866615 380.271820
47.835125 471.000000 47.886246 74.628937 379.950104
47.861130 488.000000 47.912251 73.894104 379.630768
47.887123 475.000000 47.938240 73.665062 379.314209
47.913128 471.000000 47.964241 73.942818 379.000000
47.939125 467.000000 47.990238 74.722298 378.688477
47.965130 471.000000 48.016239 75.941139 378.379425
47.991127 467.000000 48.042233 77.540009 378.072937
48.017128 462.000000 48.068233 79.449379 377.769012
48.043133 480.000000 48.094234 81.592339 377.467590
48.069130 471.000000 48.120228 83.890076 377.168823
48.095131 467.000000 48.146229 86.261169 376.872559
48.121132 467.000000 48.172226 88.598511 376.578857
48.147133 467.000000 48.198227 90.780052 376.287720
48.173134 471.000000 48.224224 92.665764 375.999146
48.199127 480.000000 48.250210 94.122543 375.713257
48.225132 471.000000 48.276215 95.024170 375.429688
48.251133 467.000000 48.302212 95.400940 375.148743
48.277130 475.000000 48.328205 95.262566 374.870422
48.303131 467.000000 48.354206 94.716545 374.594543
48.329128 467.000000 48.380199 93.893433 374.321259
48.355137 471.000000 48.406204 92.949562 374.050415
48.381134 471.000000 48.432201 92.001114 373.782104
48.407131 484.000000 48.458195 91.127106 373.516418
48.433128 484.000000 48.484188 90.398262 373.253235
48.459129 480.000000 48.510189 89.840637 372.992432
48.485130 484.000000 48.536186 89.480728 372.734161
48.511131 488.000000 48.562183 89.340736 372.478394
48.537132 488.000000 48.588184 89.437531 372.225006
48.563133 497.000000 48.614182 89.787445 371.974182
48.589130 484.000000 48.640175 90.387428 371.725769
48.615131 471.000000 48.666176 91.227776 371.479767
48.641132 484.000000 48.692173 92.279106 371.236206
48.667130 488.000000 48.718170 93.499603 370.994995
48.693127 475.000000 48.744164 94.787720 370.756287
48.719131 475.000000 48.770164 96.110107 370.519867
48.745136 471.000000 48.796169 97.339645 370.285797
48.771133 471.000000 48.822159 98.369225 370.054199
48.797131 471.000000 48.848152 99.167984 369.824860
48.823128 462.000000 48.874149 99.692497 369.597839
48.849129 462.000000 48.900146 99.955360 369.373138
48.875130 462.000000 48.926144 99.984184 369.150665
48.901134 475.000000 48.952148 99.796211 368.930450
48.927132 471.000000 48.978142 99.363327 368.712524
48.953133 462.000000 49.004139 98.649208 368.496826
48.979130 467.000000 49.030136 97.584206 368.283356
49.005131 480.000000 49.056133 96.119011 368.072021
49.031128 475.000000 49.082127 94.240562 367.862946
49.057129 462.000000 49.108128 92.025131 367.655884
49.083130 449.000000 49.134125 89.568352 367.451019
49.109131 458.000000 49.160122 87.012184 367.248291
49.135132 471.000000 49.186123 84.498985 367.047546
49.161133 458.000000 49.212120 82.138344 366.848938
49.187130 467.000000 49.238113 80.004814 366.652374
49.213127 449.000000 49.264111 78.124702 366.457794
49.239124 445.000000 49.290104 76.478142 366.265259
49.265133 441.000000 49.316109 75.035309 366.074585
49.291130 437.000000 49.342106 73.724121 365.885895
49.317131 428.000000 49.368099 72.467590 365.699188
49.343132 428.000000 49.394096 71.182945 365.514282
49.369129 462.000000 49.420094 69.824799 365.331299
49.395134 445.000000 49.446095 68.357964 365.150055
49.421127 449.000000 49.472084 66.808678 364.970764
49.447132 433.000000 49.498089 65.243851 364.793152
49.473129 441.000000 49.524082 63.765884 364.617340
49.499126 428.000000 49.550076 62.482639 364.443298
49.525131 420.000000 49.576080 61.486618 364.270813
49.551132 441.000000 49.602077 60.864120 364.100128
49.577133 445.000000 49.628075 60.652992 363.931091
49.603127 441.000000 49.654068 60.863537 363.763611
49.629128 424.000000 49.680065 61.502937 363.597778
49.655132 420.000000 49.706066 62.516518 363.433472
49.681129 428.000000 49.732063 63.883671 363.270691
49.707130 437.000000 49.758060 65.519379 363.109436
49.733128 441.000000 49.784054 67.326035 362.949615
49.759132 441.000000 49.810059 69.184021 362.791229
49.785133 449.000000 49.836056 70.957214 362.634277
49.811131 437.000000 49.862049 72.486916 362.478699
49.837128 424.000000 49.888046 73.630684 362.324493
49.863129 437.000000 49.914043 74.240387 362.171570
49.889126 433.000000 49.940033 74.279297 362.020020
49.915131 445.000000 49.966038 73.686012 361.869629
49.941135 428.000000 49.992039 72.482758 361.720459
49.967133 424.000000 50.018032 70.737160 361.572510
49.993130 420.000000 50.044029 68.560013 361.425751
50.019127 433.000000 50.070023 66.096764 361.280090
50.045132 420.000000 50.096024 63.510525 361.135498
50.071129 416.000000 50.122021 60.978935 360.992004
50.097126 428.000000 50.148014 58.655132 360.849548
50.123131 420.000000 50.174015 56.668747 360.708099
50.149132 416.000000 50.200016 55.115814 360.567566
50.175133 416.000000 50.226013 54.048561 360.427979
50.201130 404.000000 50.252007 53.496338 360.289337
50.227127 420.000000 50.278004 53.457157 360.151550
50.253128 412.000000 50.304001 53.907604 360.014618
50.279125 424.000000 50.329994 54.801128 359.878479
50.305134 420.000000 50.356003 56.046814 359.743042
50.331131 408.000000 50.381996 57.650883 359.608398
50.357132 416.000000 50.407993 59.481922 359.474487
50.383129 420.000000 50.433990 61.478512 359.341217
50.409126 424.000000 50.459984 63.528210 359.208618
50.435127 433.000000 50.485981 65.532661 359.076630
50.461128 433.000000 50.511978 67.377449 358.945190
50.487129 420.000000 50.537975 68.950829 358.814301
50.513130 416.000000 50.563972 70.145294 358.683960
50.539127 424.000000 50.589970 70.853355 358.554047
50.565132 433.000000 50.615971 71.006744 358.424561
50.591129 428.000000 50.641964 70.568192 358.295593
50.617126 424.000000 50.667961 69.580231 358.166931
50.643127 428.000000 50.693958 68.105392 358.038666
50.669128 433.000000 50.719955 66.290253 357.910645
50.695129 424.000000 50.745953 64.286209 357.782990
50.721130 416.000000 50.771954 62.243702 357.655548
50.747131 412.000000 50.797951 60.289623 357.528320
50.773129 404.000000 50.823944 58.519367 357.401337
50.799126 412.000000 50.849941 56.979496 357.274506
50.825127 416.000000 50.875938 55.682354 357.147766
50.851131 408.000000 50.901939 54.619095 357.021149
50.877129 396.000000 50.927937 53.764664 356.894592
50.903130 400.000000 50.953934 53.087658 356.768097
50.929127 404.000000 50.979927 52.550835 356.641632
50.955132 400.000000 51.005932 52.117123 356.515076
50.981133 396.000000 51.031929 51.749653 356.388550
51.007126 392.000000 51.057919 51.413074 356.261932
51.033127 404.000000 51.083916 51.092499 356.135193
51.059128 404.000000 51.109913 50.772942 356.008331
51.085129 396.000000 51.135910 50.484650 355.881287
51.111130 396.000000 51.161911 50.241753 355.754028
51.137127 388.000000 51.187904 50.072052 355.626587
51.163132 384.000000 51.213905 49.999615 355.498901
51.189125 388.000000 51.239899 50.032833 355.370972
51.215130 384.000000 51.265900 50.188412 355.242615
51.241131 396.000000 51.291897 50.455208 355.114075
51.267128 396.000000 51.317890 50.830109 354.985107
51.293125 408.000000 51.343887 51.309502 354.855774
51.319126 408.000000 51.369884 51.886768 354.726044
51.345135 396.000000 51.395889 52.566284 354.595825
51.371132 392.000000 51.421886 53.355984 354.465210
51.397129 404.000000 51.447880 54.266441 354.334106
51.423126 408.000000 51.473873 55.303310 354.202515
51.449127 400.000000 51.499874 56.468193 354.070374
51.475128 404.000000 51.525871 57.740044 353.937653
51.501129 412.000000 51.551868 59.103516 353.804382
51.527130 404.000000 51.577869 60.536037 353.670502
51.553131 404.000000 51.603867 62.021046 353.536011
51.579128 412.000000 51.629860 63.551624 353.400909
51.605129 408.000000 51.655861 65.120628 353.265106
51.631126 396.000000 51.681850 66.713486 353.128693
51.657127 408.000000 51.707848 68.300514 352.991486
51.683125 412.000000 51.733841 69.829697 352.853607
51.709129 433.000000 51.759846 71.226624 352.714966
51.735130 428.000000 51.785843 72.396431 352.575562
51.761131 437.000000 51.811840 73.275894 352.435364
51.787128 428.000000 51.837837 73.782150 352.294373
51.813126 437.000000 51.863831 73.935570 352.152588
51.839123 424.000000 51.889824 73.727043 352.010010
51.865128 433.000000 51.915829 73.211594 351.866486
51.891129 441.000000 51.941826 72.460205 351.722137
51.917130 433.000000 51.967823 71.545784 351.576904
51.943130 433.000000 51.993820 70.515663 351.430786
51.969128 433.000000 52.019817 69.403053 351.283752
51.995129 424.000000 52.045815 68.220825 351.135773
52.021126 412.000000 52.071808 66.982895 350.986877
52.047127 408.000000 52.097809 65.714340 350.837036
52.073128 416.000000 52.123806 64.459030 350.686218
52.099121 408.000000 52.149796 63.281536 350.534454
52.125130 424.000000 52.175804 62.250183 350.381622
52.151131 392.000000 52.201801 61.435703 350.227844
52.177128 400.000000 52.227795 60.893681 350.073090
52.203125 420.000000 52.253792 60.661903 349.917297
52.229122 424.000000 52.279781 60.753693 349.760498
52.255131 396.000000 52.305786 61.178780 349.602570
52.281128 416.000000 52.331779 61.916962 349.443665
52.307129 424.000000 52.357780 62.945583 349.283691
52.333126 396.000000 52.383774 64.230133 349.122711
52.359127 396.000000 52.409771 65.741165 348.960602
52.385132 404.000000 52.435776 67.424416 348.797394
52.411125 424.000000 52.461765 69.218483 348.633179
52.437126 404.000000 52.487762 71.045570 348.467865
52.463127 420.000000 52.513763 72.809433 348.301453
52.489124 416.000000 52.539757 74.413162 348.133942
52.515129 428.000000 52.565758 75.753632 347.965332
52.541130 420.000000 52.591755 76.753113 347.795654
52.567131 420.000000 52.617756 77.374428 347.624817
52.593124 412.000000 52.643745 77.616974 347.453003
52.619125 408.000000 52.669743 77.542526 347.279968
52.645130 404.000000 52.695747 77.235870 347.105865
52.671127 420.000000 52.721741 76.810738 346.930725
52.697124 408.000000 52.747734 76.384964 346.754425
52.723125 420.000000 52.773731 76.066612 346.577057
52.749130 408.000000 52.799736 75.938049 346.398529
52.775131 400.000000 52.825733 76.030174 346.218933
52.801128 412.000000 52.851727 76.350685 346.038300
52.827126 428.000000 52.877720 76.859512 345.856567
52.853127 424.000000 52.903717 77.470871 345.673767
52.879124 420.000000 52.929710 78.067650 345.489868
52.905128 420.000000 52.955715 78.515907 345.304810
52.931129 424.000000 52.981712 78.692261 345.118805
52.957130 416.000000 53.007710 78.480499 344.931671
52.983128 420.000000 53.033703 77.816284 344.743530
53.009129 428.000000 53.059704 76.663795 344.554321
53.035130 416.000000 53.085701 75.077332 344.364075
53.061134 420.000000 53.111702 73.112267 344.172791
53.087128 416.000000 53.137695 70.861160 343.980530
53.113132 400.000000 53.163696 68.420967 343.787201
53.139130 404.000000 53.189690 65.883194 343.592957
53.165134 404.000000 53.215691 63.321041 343.397614
53.191132 400.000000 53.241688 60.795628 343.201385
53.217129 400.000000 53.267681 58.358139 343.004211
53.243134 400.000000 53.293682 56.049782 342.806000
53.269127 388.000000 53.319675 53.911549 342.606934
53.295132 388.000000 53.345676 51.974277 342.406860
53.321133 392.000000 53.371674 50.259972 342.205933
53.347134 388.000000 53.397671 48.775288 342.004089
53.373131 376.000000 53.423668 47.514812 341.801361
53.399128 376.000000 53.449661 46.453049 341.597839
53.425133 380.000000 53.475658 45.549828 341.393372
53.451134 380.000000 53.501659 44.761116 341.188110
53.477131 376.000000 53.527653 44.038498 340.982056
53.503132 369.000000 53.553650 43.333076 340.775146
53.529129 376.000000 53.579643 42.619198 340.567566
53.555138 372.000000 53.605652 41.868977 340.359039
53.581131 369.000000 53.631641 41.072239 340.149933
53.607132 376.000000 53.657639 40.229065 339.940063
53.633125 372.000000 53.683632 39.351147 339.729492
53.659130 376.000000 53.709633 38.457611 339.518188
53.685131 380.000000 53.735630 37.572998 339.306274
53.711132 376.000000 53.761627 36.731606 339.093658
53.737129 369.000000 53.787624 35.954906 338.880463
53.763130 369.000000 53.813622 35.291859 338.666687
53.789131 361.000000 53.839619 34.759956 338.452271
53.815132 357.000000 53.865620 34.365150 338.237335
53.841133 361.000000 53.891617 34.143406 338.021881
53.867130 365.000000 53.917610 34.082405 337.805939
53.893127 357.000000 53.943604 34.161160 337.589539
53.919128 361.000000 53.969604 34.391899 337.372589
53.945137 357.000000 53.995609 34.741192 337.155212
53.971134 369.000000 54.021603 35.176151 336.937439
53.997131 372.000000 54.047600 35.686695 336.719299
54.023129 376.000000 54.073593 36.232189 336.500854
54.049129 376.000000 54.099586 36.789433 336.282043
54.075130 376.000000 54.125584 37.333389 336.062927
54.101135 372.000000 54.151588 37.847073 335.843384
54.127129 369.000000 54.177578 38.322620 335.623810
54.153133 372.000000 54.203579 38.766083 335.403870
54.179131 376.000000 54.229576 39.194572 335.183777
54.205132 376.000000 54.255573 39.634697 334.963501
54.231129 376.000000 54.281567 40.117577 334.743103
54.257130 384.000000 54.307564 40.674541 334.522583
54.283127 384.000000 54.333561 41.332485 334.301941
54.309128 384.000000 54.359558 42.111931 334.081238
54.335133 384.000000 54.385559 43.011086 333.860535
54.361134 380.000000 54.411556 44.064045 333.639832
54.387131 372.000000 54.437553 45.252693 333.419098
54.413128 384.000000 54.463547 46.564018 333.198517
54.439125 372.000000 54.489540 47.974281 332.977966
54.465134 380.000000 54.515549 49.435795 332.757446
54.491127 388.000000 54.541538 50.922031 332.537231
54.517132 388.000000 54.567539 52.355888 332.317078
54.543133 365.000000 54.593536 53.698635 332.097168
54.569130 376.000000 54.619534 54.890793 331.877472
54.595131 380.000000 54.645531 55.900543 331.658081
54.621128 384.000000 54.671524 56.720509 331.438995
54.647133 380.000000 54.697525 57.369156 331.220154
54.673126 388.000000 54.723518 57.883289 331.001740
54.699127 380.000000 54.749512 58.308456 330.783691
54.725132 372.000000 54.775513 58.683376 330.566040
54.751133 388.000000 54.801514 59.033730 330.348846
54.777130 384.000000 54.827507 59.366276 330.132141
54.803127 384.000000 54.853500 59.661095 329.915985
54.829124 392.000000 54.879494 59.907600 329.700378
54.855133 384.000000 54.905502 60.079399 329.485168
54.881130 384.000000 54.931496 60.138729 329.270691
54.907131 396.000000 54.957493 60.142868 329.056824
54.933128 392.000000 54.983486 60.095993 328.843658
54.959129 384.000000 55.009487 60.040066 328.631165
54.985130 384.000000 55.035484 60.018833 328.419312
55.011131 384.000000 55.061481 60.064045 328.208313
55.037125 396.000000 55.087471 60.185585 327.998108
55.063129 412.000000 55.113476 60.372940 327.788635
55.089127 392.000000 55.139469 60.595509 327.580078
55.115131 376.000000 55.165470 60.814919 327.372314
55.141136 376.000000 55.191475 60.998257 327.165436
55.167130 380.000000 55.217464 61.127102 326.959595
55.193130 396.000000 55.243462 61.201649 326.754669
55.219124 372.000000 55.269451 61.236153 326.550812
55.245132 384.000000 55.295460 61.242840 326.347778
55.271130 396.000000 55.321453 61.248154 326.145966
55.297127 388.000000 55.347446 61.243114 325.945221
55.323128 380.000000 55.373440 61.207722 325.745544
55.349129 384.000000 55.399441 61.101276 325.546967
55.375134 392.000000 55.425442 60.883793 325.349548
55.401131 376.000000 55.451435 60.509060 325.153412
55.427128 396.000000 55.477428 59.930328 324.958466
55.453129 392.000000 55.503429 59.116875 324.764709
55.479126 388.000000 55.529423 58.057438 324.572266
55.505135 388.000000 55.555428 56.762978 324.381042
55.531128 380.000000 55.581417 55.269814 324.191284
55.557133 396.000000 55.607422 53.632030 324.002747
55.583130 396.000000 55.633415 51.916645 323.815643
55.609127 384.000000 55.659409 50.176270 323.630005
55.635128 384.000000 55.685410 48.496330 323.445679
55.661129 376.000000 55.711407 46.911812 323.262848
55.687126 369.000000 55.737400 45.457882 323.081543
55.713127 376.000000 55.763397 44.157978 322.901672
55.739128 372.000000 55.789398 43.026875 322.723328
55.765133 369.000000 55.815399 42.067787 322.546539
55.791130 372.000000 55.841393 41.285767 322.371338
55.817127 372.000000 55.867386 40.667385 322.197754
55.843128 380.000000 55.893387 40.195538 322.025696
55.869125 372.000000 55.919380 39.848186 321.855377
55.895126 365.000000 55.945377 39.593380 321.686676
55.921131 369.000000 55.971378 39.416485 321.519592
55.947132 369.000000 55.997379 39.284508 321.354248
55.973129 365.000000 56.023369 39.172047 321.190674
55.999126 361.000000 56.049362 39.054775 321.028809
56.025127 365.000000 56.075359 38.911098 320.868683
56.051132 365.000000 56.101364 38.722698 320.710266
56.077126 365.000000 56.127354 38.476837 320.553741
56.103130 369.000000 56.153355 38.153854 320.398956
56.129128 369.000000 56.179348 37.782398 320.246033
56.155132 365.000000 56.205353 37.357777 320.094879
56.181129 365.000000 56.231346 36.892586 319.945648
56.207127 372.000000 56.257339 36.402996 319.798309
56.233124 365.000000 56.283333 35.907139 319.652832
56.259125 357.000000 56.309334 35.423897 319.509216
56.285130 353.000000 56.335335 34.961002 319.367493
56.311131 357.000000 56.361332 34.527325 319.227722
56.337128 369.000000 56.387325 34.146660 319.089935
56.363129 372.000000 56.413326 33.815754 318.954041
56.389126 361.000000 56.439320 33.542694 318.820129
56.415131 353.000000 56.465321 33.326736 318.688171
56.441132 361.000000 56.491318 33.175648 318.558197
56.467129 365.000000 56.517315 33.082237 318.430206
56.493126 365.000000 56.543308 33.040028 318.304260
56.519127 365.000000 56.569305 33.040699 318.180237
56.545135 361.000000 56.595310 33.074959 318.058228
56.571129 357.000000 56.621304 33.134125 317.938324
56.597130 372.000000 56.647301 33.218361 317.820374
56.623123 365.000000 56.673290 33.319370 317.704498
56.649128 353.000000 56.699287 33.434937 317.590607
56.675129 350.000000 56.725288 33.564701 317.478760
56.701130 350.000000 56.751286 33.710007 317.368958
56.727127 353.000000 56.777279 33.873360 317.261230
56.753128 357.000000 56.803276 34.057087 317.155518
56.779129 357.000000 56.829277 34.262890 317.051819
56.805130 361.000000 56.855274 34.488926 316.950195
56.831127 361.000000 56.881268 34.729496 316.850647
56.857128 361.000000 56.907265 34.974522 316.753113
56.883125 350.000000 56.933262 35.209927 316.657654
56.909126 357.000000 56.959259 35.410751 316.564209
56.935127 376.000000 56.985256 35.578697 316.472778
56.961132 369.000000 57.011257 35.662327 316.383423
56.987129 372.000000 57.037254 35.710320 316.296082
57.013126 365.000000 57.063248 35.686386 316.210754
57.039124 369.000000 57.089241 35.602863 316.127502
57.065128 369.000000 57.115242 35.458218 316.046204
57.091125 365.000000 57.141239 35.261517 315.966919
57.117126 353.000000 57.167236 35.025284 315.889648
57.143131 339.000000 57.193237 34.755280 315.814392
57.169128 353.000000 57.219231 34.486973 315.741089
57.195129 361.000000 57.245232 34.224190 315.669800
57.221127 357.000000 57.271225 33.977600 315.600433
57.247128 346.000000 57.297222 33.748016 315.533020
57.273125 357.000000 57.323215 33.510567 315.467590
57.299122 372.000000 57.349209 33.288090 315.404053
57.325130 357.000000 57.375214 33.042801 315.342438
57.351131 342.000000 57.401211 32.754978 315.282715
57.377129 342.000000 57.427204 32.423893 315.224915
57.403126 346.000000 57.453197 32.036423 315.168945
57.429123 350.000000 57.479195 31.602262 315.114868
57.455132 346.000000 57.505199 31.134127 315.062561
57.481125 339.000000 57.531189 30.656092 315.012146
57.507130 339.000000 57.557190 30.197826 314.963501
57.533127 346.000000 57.583187 29.786467 314.916687
57.559128 346.000000 57.609184 29.470005 314.871613
57.585129 346.000000 57.635181 29.274035 314.828308
57.611126 350.000000 57.661175 29.226511 314.786682
57.637123 335.000000 57.687172 29.349352 314.746826
57.663124 365.000000 57.713169 29.653660 314.708618
57.689125 357.000000 57.739166 30.154608 314.672089
57.715130 346.000000 57.765167 30.849136 314.637207
57.741131 339.000000 57.791168 31.731359 314.603912
57.767128 339.000000 57.817162 32.788986 314.572266
57.793125 357.000000 57.843155 34.004639 314.542175
57.819122 365.000000 57.869148 35.355167 314.513611
57.845131 361.000000 57.895153 36.812569 314.486572
57.871128 353.000000 57.921150 38.341457 314.460999
57.897125 353.000000 57.947144 39.902802 314.436951
57.923126 361.000000 57.973141 41.452705 314.414307
57.949127 365.000000 57.999138 42.945503 314.393097
57.975128 353.000000 58.025139 44.330467 314.373260
58.001133 369.000000 58.051136 45.570843 314.354797
58.027130 365.000000 58.077129 46.625847 314.337646
58.053131 346.000000 58.103127 47.468781 314.321777
58.079128 350.000000 58.129124 48.085457 314.307220
58.105133 361.000000 58.155125 48.475903 314.293884
58.131134 357.000000 58.181122 48.653954 314.281738
58.157135 350.000000 58.207119 48.644344 314.270752
58.183132 369.000000 58.233112 48.488560 314.260956
58.209129 372.000000 58.259109 48.225231 314.252258
58.235130 361.000000 58.285107 47.908699 314.244629
58.261131 365.000000 58.311104 47.576462 314.238037
58.287128 372.000000 58.337097 47.279316 314.232483
58.313133 357.000000 58.363102 47.051598 314.227905
58.339127 361.000000 58.389091 46.911148 314.224243
58.365135 365.000000 58.415096 46.869957 314.221497
58.391132 365.000000 58.441090 46.926003 314.219635
58.417130 365.000000 58.467083 47.084751 314.218597
58.443130 361.000000 58.493084 47.329376 314.218384
58.469128 365.000000 58.519077 47.642799 314.218933
58.495132 365.000000 58.545078 48.009312 314.220215
58.521133 369.000000 58.571075 48.404400 314.222168
58.547134 372.000000 58.597076 48.798809 314.224792
58.573132 369.000000 58.623070 49.184387 314.228088
58.599129 365.000000 58.649063 49.535217 314.231903
58.625130 372.000000 58.675060 49.835896 314.236267
58.651131 369.000000 58.701057 50.076767 314.241211
58.677132 357.000000 58.727058 50.255596 314.246582
58.703133 365.000000 58.753052 50.374168 314.252380
58.729130 372.000000 58.779045 50.463795 314.258575
58.755135 372.000000 58.805046 50.544178 314.265137
58.781132 372.000000 58.831043 50.646706 314.272034
58.807129 361.000000 58.857037 50.801918 314.279175
58.833126 361.000000 58.883030 51.034580 314.286591
58.859131 369.000000 58.909031 51.354733 314.294250
58.885132 365.000000 58.935028 51.772987 314.302002
58.911133 357.000000 58.961029 52.274914 314.309937
58.937130 361.000000 58.987022 52.839272 314.317932
58.963131 365.000000 59.013020 53.436016 314.325989
58.989128 365.000000 59.039013 54.037998 314.334076
59.015129 361.000000 59.065014 54.600311 314.342133
59.041134 353.000000 59.091015 55.116714 314.350128
59.067131 353.000000 59.117008 55.550308 314.358032
59.093128 353.000000 59.143002 55.879547 314.365784
59.119129 357.000000 59.168999 56.086025 314.373352
59.145134 357.000000 59.195004 56.151711 314.380737
59.171135 361.000000 59.221001 56.062344 314.387817
59.197128 361.000000 59.246990 55.817795 314.394653
59.223129 353.000000 59.272987 55.408279 314.401154
59.249130 353.000000 59.298988 54.846355 314.407288
59.275131 357.000000 59.324986 54.144817 314.413025
59.301132 376.000000 59.350983 53.313652 314.418335
59.327129 361.000000 59.376976 52.410820 314.423157
59.353134 353.000000 59.402977 51.456234 314.427490
59.379128 353.000000 59.428970 50.483219 314.431244
59.405132 350.000000 59.454967 49.529221 314.434448
59.431129 353.000000 59.480961 48.621288 314.437012
59.457130 361.000000 59.506958 47.782349 314.438934
59.483128 350.000000 59.532951 47.024712 314.440186
59.509129 350.000000 59.558952 46.362358 314.440674
59.535133 346.000000 59.584953 45.793262 314.440460
59.561134 353.000000 59.610950 45.310974 314.439453
59.587132 353.000000 59.636944 44.905762 314.437622
59.613129 350.000000 59.662941 44.567272 314.434937
59.639126 353.000000 59.688934 44.286972 314.431335
59.665131 346.000000 59.714935 44.061192 314.426880
59.691128 365.000000 59.740929 43.894955 314.421448
59.717133 346.000000 59.766930 43.793159 314.415009
59.743134 353.000000 59.792931 43.755836 314.407593
59.769131 350.000000 59.818924 43.809719 314.399170
59.795132 346.000000 59.844921 43.950573 314.389648
59.821129 339.000000 59.870914 44.177238 314.379028
59.847130 350.000000 59.896912 44.481293 314.367310
59.873127 350.000000 59.922909 44.849552 314.354431
59.899124 353.000000 59.948902 45.261574 314.340393
59.925133 342.000000 59.974907 45.696205 314.325134
59.951134 353.000000 60.000904 46.129814 314.308655
59.977131 365.000000 60.026897 46.538654 314.290955
60.003128 369.000000 60.052895 46.899723 314.271942
60.029125 346.000000 60.078888 47.193752 314.251648
60.055130 357.000000 60.104889 47.402641 314.230042
60.081131 350.000000 60.130886 47.513790 314.207092
60.107132 365.000000 60.156883 47.521553 314.182800
60.133129 369.000000 60.182880 47.427868 314.157104
60.159130 342.000000 60.208874 47.244476 314.130005
60.185131 339.000000 60.234871 46.987339 314.101501
60.211128 361.000000 60.260864 46.675240 314.071594
60.237125 361.000000 60.286858 46.324886 314.040192
60.263130 350.000000 60.312862 45.946915 314.007294
60.289124 357.000000 60.338852 45.545036 313.972961
60.315132 353.000000 60.364857 45.115211 313.937134
60.341133 339.000000 60.390854 44.642918 313.899750
60.367130 353.000000 60.416847 44.125523 313.860870
60.393127 353.000000 60.442844 43.561123 313.820465
60.419125 357.000000 60.468838 42.942547 313.778503
60.445133 350.000000 60.494843 42.274895 313.734985
60.471130 342.000000 60.520836 41.571690 313.689911
60.497128 350.000000 60.546833 40.850681 313.643250
60.523129 353.000000 60.572830 40.125954 313.595032
60.549129 353.000000 60.598827 39.446198 313.545166
60.575134 357.000000 60.624828 38.824276 313.493713
60.601128 350.000000 60.650818 38.281631 313.440735
60.627129 353.000000 60.676819 37.832111 313.386108
60.653130 339.000000 60.702816 37.489250 313.329895
60.679127 342.000000 60.728809 37.251431 313.272064
60.705132 353.000000 60.754810 37.111141 313.212646
60.731129 357.000000 60.780804 37.052967 313.151581
60.757133 350.000000 60.806805 37.054203 313.088959
60.783127 342.000000 60.832798 37.086628 313.024719
60.809128 350.000000 60.858795 37.118580 312.958862
60.835129 350.000000 60.884792 37.117592 312.891449
60.861130 346.000000 60.910789 37.053341 312.822449
60.887127 357.000000 60.936779 36.899418 312.751831
60.913128 361.000000 60.962780 36.640289 312.679688
60.939125 350.000000 60.988773 36.266155 312.605957
60.965134 350.000000 61.014778 35.777321 312.530640
60.991131 350.000000 61.040771 35.183350 312.453796
61.017128 353.000000 61.066765 34.499458 312.375427
61.043129 357.000000 61.092766 33.741795 312.295532
61.069126 353.000000 61.118759 32.936970 312.214111
61.095127 339.000000 61.144756 32.101997 312.131226
61.121132 339.000000 61.170757 31.255049 312.046875
61.147133 342.000000 61.196754 30.415804 311.960999
61.173130 339.000000 61.222752 29.600029 311.873718
61.199127 339.000000 61.248745 28.823997 311.785034
61.225128 339.000000 61.274742 28.096178 311.694916
61.251129 339.000000 61.300739 27.443035 311.603424
61.277126 339.000000 61.326733 26.871984 311.510559
61.303131 339.000000 61.352737 26.381178 311.416321
61.329124 339.000000 61.378727 25.995676 311.320801
61.355133 342.000000 61.404732 25.704203 311.223969
61.381130 339.000000 61.430725 25.510365 311.125854
61.407127 339.000000 61.456718 25.405697 311.026550
61.433125 342.000000 61.482716 25.381588 310.925964
61.459126 339.000000 61.508713 25.428419 310.824219
61.485130 331.000000 61.534714 25.534504 310.721313
61.511131 331.000000 61.560711 25.685047 310.617249
61.537128 342.000000 61.586704 25.870050 310.512085
61.563129 346.000000 61.612701 26.071922 310.405884
61.589127 339.000000 61.638699 26.282686 310.298645
61.615128 335.000000 61.664696 26.487135 310.190369
61.641129 331.000000 61.690693 26.673403 310.081116
61.667130 342.000000 61.716686 26.830685 309.970947
61.693123 342.000000 61.742676 26.949387 309.859894
61.719128 339.000000 61.768681 27.021608 309.747925
61.745132 342.000000 61.794682 27.041155 309.635101
61.771130 342.000000 61.820675 27.004431 309.521545
61.797127 331.000000 61.846668 26.905182 309.407227
61.823124 342.000000 61.872662 26.756895 309.292206
61.849129 350.000000 61.898666 26.559679 309.176453
61.875130 339.000000 61.924664 26.321804 309.060089
61.901131 342.000000 61.950661 26.053553 308.943146
61.927128 342.000000 61.976654 25.765181 308.825653
61.953129 328.000000 62.002651 25.471348 308.707611
61.979126 320.000000 62.028645 25.181293 308.589142
62.005127 339.000000 62.054646 24.909206 308.470184
62.031128 335.000000 62.080643 24.664354 308.350891
62.057129 331.000000 62.106640 24.456354 308.231262
62.083126 339.000000 62.132633 24.293442 308.111328
62.109127 346.000000 62.158630 24.181889 307.991119
62.135128 339.000000 62.184631 24.123348 307.870697
62.161133 328.000000 62.210632 24.120975 307.750122
62.187126 331.000000 62.236622 24.172642 307.629456
62.213127 342.000000 62.262619 24.271414 307.508698
62.239120 331.000000 62.288609 24.405884 307.387939
62.265129 328.000000 62.314613 24.564377 307.267181
62.291126 324.000000 62.340611 24.732735 307.146484
62.317127 335.000000 62.366608 24.898418 307.025940
62.343132 342.000000 62.392609 25.052191 306.905518
62.369125 342.000000 62.418598 25.190048 306.785339
62.395130 339.000000 62.444599 25.314888 306.665405
62.421127 346.000000 62.470592 25.433592 306.545776
62.447128 346.000000 62.496590 25.567591 306.426514
62.473125 361.000000 62.522583 25.729410 306.307678
62.499123 342.000000 62.548576 25.948641 306.189270
62.525131 331.000000 62.574581 26.240005 306.071289
62.551132 328.000000 62.600578 26.618574 305.953918
62.577129 342.000000 62.626575 27.093496 305.837128
62.603127 342.000000 62.652569 27.667223 305.721008
62.629124 339.000000 62.678562 28.335806 305.605530
62.655128 335.000000 62.704563 29.086714 305.490753
62.681126 339.000000 62.730556 29.909750 305.376801
62.707130 346.000000 62.756557 30.783131 305.263641
62.733124 346.000000 62.782551 31.685081 305.151367
62.759129 328.000000 62.808552 32.592918 305.039978
62.785130 339.000000 62.834549 33.478203 304.929565
62.811127 339.000000 62.860542 34.327972 304.820129
62.837124 346.000000 62.886536 35.118332 304.711792
62.863125 350.000000 62.912533 35.847069 304.604523
62.889122 339.000000 62.938530 36.500385 304.498352
62.915131 331.000000 62.964535 37.078083 304.393311
62.941132 331.000000 62.990532 37.582649 304.289520
62.967129 331.000000 63.016525 38.020950 304.187012
62.993126 324.000000 63.042519 38.398388 304.085815
63.019127 342.000000 63.068516 38.728989 303.985901
63.045135 342.000000 63.094524 39.015713 303.887299
63.071133 350.000000 63.120518 39.260792 303.790161
63.097130 342.000000 63.146511 39.463493 303.694458
63.123131 339.000000 63.172508 39.610119 303.600250
63.149132 335.000000 63.198505 39.711731 303.507507
63.175133 339.000000 63.224506 39.752663 303.416321
63.201134 346.000000 63.250504 39.723915 303.326721
63.227127 353.000000 63.276493 39.619526 303.238770
63.253132 342.000000 63.302490 39.434090 303.152374
63.279129 335.000000 63.328484 39.174122 303.067657
63.305134 331.000000 63.354485 38.843941 302.984650
63.331131 339.000000 63.380482 38.455040 302.903320
63.357132 350.000000 63.406479 38.021790 302.823730
63.383133 339.000000 63.432476 37.558613 302.745972
63.409126 346.000000 63.458466 37.083393 302.669952
63.435131 350.000000 63.484467 36.607388 302.595734
63.461132 346.000000 63.510464 36.138550 302.523346
63.487129 350.000000 63.536461 35.689537 302.452759
63.513130 346.000000 63.562458 35.263313 302.384094
63.539127 346.000000 63.588451 34.863949 302.317261
63.565136 346.000000 63.614456 34.495274 302.252319
63.591133 350.000000 63.640450 34.160900 302.189270
63.617130 350.000000 63.666443 33.864189 302.128143
63.643131 339.000000 63.692440 33.608479 302.068909
63.669128 324.000000 63.718437 33.396729 302.011597
63.695129 328.000000 63.744434 33.229359 301.956238
63.721130 335.000000 63.770432 33.111710 301.902771
63.747135 335.000000 63.796432 33.036114 301.851196
63.773132 331.000000 63.822426 33.012810 301.801605
63.799129 339.000000 63.848419 33.036255 301.753937
63.825130 342.000000 63.874420 33.107754 301.708130
63.851131 331.000000 63.900417 33.222416 301.664307
63.877129 331.000000 63.926411 33.371555 301.622314
63.903130 342.000000 63.952408 33.566124 301.582245
63.929131 350.000000 63.978405 33.798496 301.544067
63.955135 346.000000 64.004410 34.064720 301.507690
63.981133 339.000000 64.030403 34.369339 301.473206
64.007126 335.000000 64.056389 34.711258 301.440582
64.033127 335.000000 64.082390 35.086918 301.409729
64.059128 335.000000 64.108391 35.491817 301.380615
64.085129 328.000000 64.134384 35.919250 301.353302
64.111130 328.000000 64.160385 36.360443 301.327698
64.137131 331.000000 64.186378 36.804230 301.303833
64.163132 335.000000 64.212379 37.237720 301.281586
64.189133 335.000000 64.238373 37.648392 301.260986
64.215134 328.000000 64.264374 38.025013 301.242004
64.241135 331.000000 64.290375 38.353359 301.224548
64.267128 331.000000 64.316360 38.621395 301.208679
64.293129 353.000000 64.342361 38.813557 301.194214
64.319130 350.000000 64.368355 38.930676 301.181213
64.345139 339.000000 64.394363 38.961845 301.169617
64.371132 335.000000 64.420349 38.891998 301.159302
64.397133 331.000000 64.446350 38.748726 301.150330
64.423126 335.000000 64.472343 38.526035 301.142578
64.449127 335.000000 64.498337 38.234612 301.135986
64.475128 335.000000 64.524338 37.884392 301.130493
64.501129 342.000000 64.550323 37.498493 301.126068
64.527130 357.000000 64.576324 37.090652 301.122650
64.553131 342.000000 64.602325 36.676739 301.120178
64.579132 346.000000 64.628319 36.271629 301.118530
64.605133 339.000000 64.654320 35.881489 301.117706
64.631126 342.000000 64.680305 35.530163 301.117615
64.657127 339.000000 64.706306 35.218857 301.118164
64.683128 339.000000 64.732300 34.953465 301.119263
64.709129 342.000000 64.758301 34.737480 301.120911
64.735130 342.000000 64.784302 34.572937 301.122986
64.761131 328.000000 64.810295 34.460583 301.125366
64.787132 328.000000 64.836296 34.400059 301.128052
64.813126 342.000000 64.862282 34.389927 301.130890
64.839127 342.000000 64.888283 34.428505 301.133850
64.865128 335.000000 64.914276 34.511360 301.136780
64.891129 339.000000 64.940277 34.636078 301.139648
64.917130 342.000000 64.966278 34.796593 301.142303
64.943130 353.000000 64.992271 34.987270 301.144714
64.969131 328.000000 65.018272 35.203163 301.146759
64.995132 346.000000 65.044266 35.438557 301.148376
65.021126 357.000000 65.070259 35.693649 301.149414
65.047134 339.000000 65.096260 35.970989 301.149780
65.073128 346.000000 65.122253 36.272263 301.149414
65.099121 324.000000 65.148247 36.603100 301.148193
65.125130 342.000000 65.174248 36.969723 301.145996
65.151131 342.000000 65.200249 37.378590 301.142761
65.177132 342.000000 65.226242 37.832470 301.138367
65.203125 335.000000 65.252235 38.329491 301.132690
65.229126 342.000000 65.278229 38.868950 301.125641
65.255135 342.000000 65.304237 39.438450 301.117096
65.281128 339.000000 65.330231 40.021992 301.106964
65.307129 350.000000 65.356224 40.601665 301.095154
65.333130 339.000000 65.382225 41.157310 301.081512
65.359131 328.000000 65.408218 41.669273 301.065979
65.385132 346.000000 65.434219 42.121571 301.048401
65.411133 328.000000 65.460213 42.502285 301.028656
65.437126 335.000000 65.486206 42.805733 301.006714
65.463127 328.000000 65.512207 43.031628 300.982391
65.489128 339.000000 65.538200 43.183704 300.955597
65.515129 346.000000 65.564201 43.270058 300.926208
65.541138 342.000000 65.590202 43.298595 300.894165
65.567131 339.000000 65.616196 43.277100 300.859314
65.593124 350.000000 65.642181 43.212429 300.821564
65.619125 331.000000 65.668182 43.108707 300.780792
65.645134 331.000000 65.694191 42.968727 300.736877
65.671127 331.000000 65.720177 42.793404 300.689758
65.697128 339.000000 65.746178 42.581409 300.639282
65.723129 342.000000 65.772171 42.332382 300.585449
65.749130 346.000000 65.798172 42.040901 300.527954
65.775131 346.000000 65.824165 41.710457 300.466919
65.801132 335.000000 65.850166 41.337208 300.402069
65.827126 335.000000 65.876160 40.920219 300.333405
65.853127 335.000000 65.902153 40.468098 300.260803
65.879128 339.000000 65.928154 39.986282 300.184143
65.905136 331.000000 65.954155 39.487514 300.103394
65.931129 339.000000 65.980148 38.988522 300.018433
65.957130 331.000000 66.006142 38.506836 299.929138
65.983131 342.000000 66.032143 38.060459 299.835480
66.009125 346.000000 66.058136 37.665569 299.737366
66.035126 342.000000 66.084129 37.331802 299.634644
66.061127 339.000000 66.110130 37.069683 299.527344
66.087128 331.000000 66.136124 36.877216 299.415283
66.113129 335.000000 66.162125 36.751553 299.298492
66.139130 346.000000 66.188118 36.683826 299.176880
66.165131 350.000000 66.214119 36.663704 299.050293
66.191132 342.000000 66.240120 36.680183 298.918793
66.217125 331.000000 66.266106 36.722721 298.782318
66.243126 339.000000 66.292107 36.782089 298.640717
66.269127 339.000000 66.318092 36.850582 298.494080
66.295128 342.000000 66.344093 36.921692 298.342194
66.321129 339.000000 66.370087 36.991474 298.185181
66.347130 339.000000 66.396088 37.059261 298.022888
66.373131 335.000000 66.422081 37.120758 297.855347
66.399124 335.000000 66.448074 37.181755 297.682556
66.425125 335.000000 66.474075 37.236580 297.504395
66.451126 331.000000 66.500069 37.296169 297.321014
66.477127 324.000000 66.526070 37.363350 297.132233
66.503128 320.000000 66.552063 37.438576 296.938202
66.529129 339.000000 66.578064 37.524483 296.738800
66.555130 342.000000 66.604057 37.621826 296.534119
66.581131 339.000000 66.630058 37.735397 296.324158
66.607124 331.000000 66.656052 37.864784 296.109009
66.633125 324.000000 66.682045 38.013260 295.888550
66.659126 320.000000 66.708046 38.181301 295.662903
66.685127 324.000000 66.734039 38.367912 295.432098
66.711128 328.000000 66.760040 38.573978 295.196198
66.737129 317.000000 66.786034 38.794350 294.955322
66.763130 320.000000 66.812035 39.020634 294.709351
66.789124 328.000000 66.838028 39.235783 294.458557
66.815125 320.000000 66.864021 39.444450 294.202942
66.841133 324.000000 66.890030 39.621349 293.942444
66.867126 328.000000 66.916016 39.749165 293.677551
66.893127 324.000000 66.942017 39.811081 293.407928
66.919128 331.000000 66.968010 39.791431 293.133972
66.945129 331.000000 66.994011 39.677723 292.855652
66.971130 320.000000 67.020004 39.461830 292.573181
66.997131 324.000000 67.046005 39.141018 292.286560
67.023125 320.000000 67.071999 38.717880 291.996155
67.049126 324.000000 67.097992 38.205391 291.701965
67.075127 328.000000 67.123993 37.618488 291.404144
67.101128 317.000000 67.149986 36.977093 291.102905
67.127129 328.000000 67.175987 36.309017 290.798340
67.153130 331.000000 67.201981 35.630493 290.490784
67.179123 317.000000 67.227974 34.981079 290.180420
67.205132 328.000000 67.253983 34.373512 289.867126
67.231125 335.000000 67.279968 33.824913 289.551636
67.257126 313.000000 67.305969 33.345318 289.233704
67.283127 324.000000 67.331963 32.940823 288.913818
67.309128 313.000000 67.357964 32.612038 288.592133
67.335129 313.000000 67.383957 32.356232 288.268951
67.361130 324.000000 67.409958 32.162693 287.944336
67.387131 324.000000 67.435951 32.033413 287.618835
67.413124 328.000000 67.461945 31.954506 287.292542
67.439125 317.000000 67.487946 31.916107 286.965576
67.465126 320.000000 67.513939 31.907148 286.638580
67.491127 328.000000 67.539940 31.918219 286.311493
67.517128 331.000000 67.565933 31.934935 285.984924
67.543129 317.000000 67.591934 31.951521 285.658905
67.569130 303.000000 67.617928 31.958176 285.333923
67.595131 328.000000 67.643929 31.937626 285.010162
67.621124 328.000000 67.669914 31.898235 284.688171
67.647125 317.000000 67.695915 31.827644 284.368011
67.673126 324.000000 67.721916 31.723345 284.050110
67.699120 324.000000 67.747902 31.585350 283.734955
67.725128 328.000000 67.773911 31.414736 283.422546
67.751129 320.000000 67.799904 31.217413 283.113586
67.777130 320.000000 67.825905 31.001617 282.808228
67.803123 313.000000 67.851891 30.777700 282.507080
67.829124 313.000000 67.877892 30.554935 282.210052
67.855133 313.000000 67.903893 30.345009 281.917847
67.881126 331.000000 67.929886 30.160282 281.630798
67.907127 313.000000 67.955887 30.012205 281.349121
67.933128 320.000000 67.981880 29.911751 281.073395
67.959129 303.000000 68.007881 29.868458 280.803772
67.985130 317.000000 68.033875 29.890162 280.540771
68.011131 331.000000 68.059875 29.981308 280.284668
68.037125 317.000000 68.085861 30.147053 280.035919
68.063133 313.000000 68.111870 30.387186 279.794678
68.089127 310.000000 68.137856 30.698503 279.561584
68.115135 317.000000 68.163864 31.075186 279.336670
68.141136 306.000000 68.189865 31.511681 279.120544
68.167130 313.000000 68.215843 31.997395 278.913605
68.193130 317.000000 68.241844 32.523106 278.715881
68.219131 328.000000 68.267838 33.077866 278.527832
68.245132 310.000000 68.293839 33.651852 278.349792
68.271133 317.000000 68.319832 34.233036 278.182068
68.297127 320.000000 68.345825 34.817787 278.024902
68.323128 328.000000 68.371819 35.396431 277.878601
68.349136 317.000000 68.397827 35.962994 277.743347
68.375137 331.000000 68.423828 36.508755 277.619446
68.401131 328.000000 68.449814 37.034599 277.507202
68.427132 313.000000 68.475815 37.533962 277.406677
68.453133 320.000000 68.501808 38.002018 277.318146
68.479126 313.000000 68.527802 38.435635 277.241730
68.505135 313.000000 68.553802 38.830971 277.177551
68.531128 310.000000 68.579796 39.184731 277.125702
68.557137 313.000000 68.605797 39.495251 277.086304
68.583130 313.000000 68.631790 39.760246 277.059387
68.609131 320.000000 68.657791 39.988232 277.044983
68.635132 331.000000 68.683784 40.182365 277.043060
68.661133 320.000000 68.709785 40.351482 277.053589
68.687126 320.000000 68.735771 40.506489 277.076416
68.713135 317.000000 68.761780 40.658501 277.111420
68.739128 313.000000 68.787766 40.816490 277.158447
68.765137 310.000000 68.813774 40.986164 277.217285
68.791130 320.000000 68.839760 41.168552 277.287567
68.817131 313.000000 68.865761 41.357063 277.369080
68.843132 310.000000 68.891762 41.540028 277.461365
68.869125 324.000000 68.917747 41.698101 277.563965
68.895126 328.000000 68.943748 41.812660 277.676453
68.921135 324.000000 68.969749 41.859669 277.798218
68.947136 313.000000 68.995750 41.817547 277.928650
68.973129 313.000000 69.021736 41.668545 278.066956
68.999130 313.000000 69.047737 41.398804 278.212463
69.025131 310.000000 69.073730 41.006603 278.364258
69.051132 313.000000 69.099731 40.493618 278.521423
69.077133 317.000000 69.125725 39.871994 278.682861
69.103134 320.000000 69.151726 39.159058 278.847626
69.129128 310.000000 69.177719 38.380692 279.014313
69.155136 306.000000 69.203720 37.562424 279.181763
69.181129 313.000000 69.229713 36.738094 279.348450
69.207130 313.000000 69.255707 35.934616 279.512939
69.233124 313.000000 69.281700 35.177700 279.673553
69.259125 313.000000 69.307693 34.487755 279.828583
69.285133 313.000000 69.333702 33.878830 279.976227
69.311134 313.000000 69.359695 33.358185 280.114410
69.337128 306.000000 69.385689 32.924953 280.240967
69.363129 303.000000 69.411690 32.571835 280.353760
69.389130 303.000000 69.437683 32.286442 280.450256
69.415131 306.000000 69.463684 32.048889 280.527985
69.441132 310.000000 69.489677 31.845867 280.584229
69.467133 306.000000 69.515678 31.656483 280.616150
69.493126 310.000000 69.541664 31.461479 280.620667
69.519127 320.000000 69.567665 31.244265 280.594543
69.545135 320.000000 69.593666 30.992201 280.534485
69.571136 310.000000 69.619667 30.695797 280.436829
69.597130 303.000000 69.645653 30.349871 280.297913
69.623123 313.000000 69.671646 29.948795 280.113739
69.649132 313.000000 69.697655 29.501057 279.879913
69.675133 306.000000 69.723648 29.005960 279.592407
69.701134 299.000000 69.749649 28.471270 279.246277
69.727127 313.000000 69.775635 27.902237 278.837067
69.753128 299.000000 69.801636 27.304457 278.359131
69.779129 299.000000 69.827629 26.684259 277.807678
69.805130 306.000000 69.853630 26.046289 277.176697
69.831131 299.000000 69.879623 25.394789 276.460541
69.857132 303.000000 69.905624 24.731888 275.652893
69.883125 299.000000 69.931610 24.059772 274.748016
69.909126 292.000000 69.957611 23.377861 273.737915
69.935135 306.000000 69.983620 22.684061 272.616028
69.961136 310.000000 70.009613 21.980919 271.375671
69.987129 303.000000 70.035606 21.268713 270.008972

_reflns_number_total             934
_reflns_limit_h_min              0
_reflns_limit_h_max              9
_reflns_limit_k_min              0
_reflns_limit_k_max              4
_reflns_limit_l_min              -17
_reflns_limit_l_max              17
_reflns_d_resolution_high        12.897
_reflns_d_resolution_low         1.341

# start Validation Reply Form
_vrf_PLAT413_I                   
;
PROBLEM: Short Inter XH3 .. XHn H1 ..H32 . 1.58 Ang.
RESPONSE: Short H .. H contacts  involve CH3 H-atoms likely disordered
and diffucult to model by powder diffraction data
   
;
# end Validation Reply Form
