#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:33:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178816 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/70/4107025.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4107025
loop_
_publ_author_name
'Johannes K. Sprafke'
'Dmitry V. Kondratuk'
'Michael Wykes'
'Amber L. Thompson'
'Markus Hoffmann'
'Rokas Drevinskas'
'Wei-Hsin Chen'
'Chaw Keong Yong'
'Joakim Kärnbratt'
'Joseph E. Bullock'
'Marc Malfois'
'Michael R. Wasielewski'
'Bo Albinsson'
'Laura M. Herz'
'Donatas Zigmantas'
'David Beljonne'
'Harry L. Anderson'
_publ_contact_author             'Harry L. Anderson'
_publ_contact_author_email       harry.anderson@chem.ox.ac.uk
_publ_section_title
;
 Belt-Shaped π-Systems: Relating Geometry to Electronic Structure in a
 Six-Porphyrin Nanoring
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17262
_journal_page_last               17273
_journal_paper_doi               10.1021/ja2045919
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C384 H348 N30 Zn6, 2.19(C H Cl3)'
_chemical_formula_sum            'C386.19 H350.19 Cl6.56 N30 Zn6'
_chemical_formula_weight         6036.69
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_audit_creation_date             11-05-09
_audit_creation_method           CRYSTALS_ver_14.21
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   59.310(5)
_cell_length_b                   25.141(3)
_cell_length_c                   31.050(4)
_cell_measurement_reflns_used    21602
_cell_measurement_temperature    150
_cell_measurement_theta_max      17
_cell_measurement_theta_min      1
_cell_volume                     46299(9)
_computing_cell_refinement
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      150
_diffrn_detector                 CCD
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
scan:
    Number of images: 165
               Slice: -60.0000 - 105.0000
         Image width: 1.0000
            Exp time: 1.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 0.0000
                 Phi: 0.0000
                 XTD: 89.6746
              2theta: 15.0796
scan:
    Number of images: 120
               Slice: -60.0000 - 60.0000
         Image width: 1.0000
            Exp time: 1.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -50.0000
                 Phi: 0.0000
                 XTD: 89.6746
              2theta: 15.0796
scan:
    Number of images: 120
               Slice: -60.0000 - 60.0000
         Image width: 1.0000
            Exp time: 1.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -50.0000
                 Phi: 120.0000
                 XTD: 89.6746
              2theta: 15.0796
scan:
    Number of images: 120
               Slice: -60.0000 - 60.0000
         Image width: 1.0000
            Exp time: 1.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -50.0000
                 Phi: 240.0000
                 XTD: 89.6746
              2theta: 15.0796
scan:
    Number of images: 115
               Slice: -10.0000 - 105.0000
         Image width: 1.0000
            Exp time: 1.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 50.0000
                 Phi: 0.0000
                 XTD: 89.6746
              2theta: 15.0796
scan:
    Number of images: 115
               Slice: -10.0000 - 105.0000
         Image width: 1.0000
            Exp time: 1.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 50.0000
                 Phi: 120.0000
                 XTD: 89.6746
              2theta: 15.0796
scan:
    Number of images: 115
               Slice: -10.0000 - 105.0000
         Image width: 1.0000
            Exp time: 1.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 50.0000
                 Phi: 240.0000
                 XTD: 89.6746
              2theta: 15.0796

;
_diffrn_measurement_device       'CrystalLogic Kappa (3 circle)'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      -0.029892
_diffrn_orient_matrix_UB_12      -0.015746
_diffrn_orient_matrix_UB_13      0.020991
_diffrn_orient_matrix_UB_21      -0.021210
_diffrn_orient_matrix_UB_22      0.012983
_diffrn_orient_matrix_UB_23      -0.020465
_diffrn_orient_matrix_UB_31      0.000655
_diffrn_orient_matrix_UB_32      -0.013912
_diffrn_orient_matrix_UB_33      -0.009504
_diffrn_radiation_monochromator  Synchrotron
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.153
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            213483
_diffrn_reflns_theta_full        18.307
_diffrn_reflns_theta_max         18.307
_diffrn_reflns_theta_min         1.210
_diffrn_source                   Synchrotron
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.388
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_exptl_crystal_colour            metallic_dark_green
_exptl_crystal_density_diffrn    0.866
_exptl_crystal_description       plate
_exptl_crystal_F_000             12675.637
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_platon_squeeze_details
;
The discrete Fourier transform of the void region were treated as 
contributions to the A and B parts of the calculated structure factors.
;
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.9235
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2291
_refine_ls_number_reflns         18128
_refine_ls_number_restraints     3401
_refine_ls_R_factor_all          0.1065
_refine_ls_R_factor_gt           0.1047
_refine_ls_shift/su_max          0.0039934
_refine_ls_shift/su_mean         0.0002024
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 36.5 57.9 30.7 10.3 1.78 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2626
_refine_ls_wR_factor_gt          0.2611
_refine_ls_wR_factor_ref         0.2626
_reflns_limit_h_max              54
_reflns_limit_h_min              0
_reflns_limit_k_max              22
_reflns_limit_k_min              0
_reflns_limit_l_max              28
_reflns_limit_l_min              0
_reflns_number_gt                17372
_reflns_number_total             18318
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   4.07
_oxford_diffrn_Wilson_scale      577.19
_oxford_refine_ls_r_factor_ref   0.1065
_oxford_refine_ls_scale          0.047640(9)
_oxford_reflns_number_all        18128
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title DIA6281
_cod_data_source_file            ja2045919_si_001.cif
_cod_data_source_block           c-P6-T6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Other' changed to 'other'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        46299(8)
_cod_original_sg_symbol_H-M      'P c c n '
_cod_database_code               4107025
#BEGIN Tags that were not found in dictionaries:
_iucr_refine_instruction_details_constraints
;
BLOCK SCALE X'S, U'S 
EQUIV RESIDUE(2,OCC) 
EQUIV RESIDUE(3,OCC) 
EQUIV PART(1001,OCC) PART(1002,OCC) 
WEIGHT -1 PART(1002,OCC) 
EQUIV PART(2001,OCC) PART(2002,OCC) 
WEIGHT -1 PART(2002,OCC) 
EQUIV PART(3001,OCC) PART(3002,OCC) 
WEIGHT -1 PART(3002,OCC) 
EQUIV PART(4001,OCC) PART(4002,OCC) 
WEIGHT -1 PART(4002,OCC) 
EQUIV PART(4003,OCC) PART(4004,OCC) 
WEIGHT -1 PART(4004,OCC) 
EQUIV PART(5001,OCC) PART(5002,OCC) 
WEIGHT -1 PART(5002,OCC) 
EQUIV PART(5003,OCC) PART(5004,OCC) 
WEIGHT -1 PART(5004,OCC) 
EQUIV PART(5005,OCC) PART(5006,OCC) 
WEIGHT -1 PART(5006,OCC) 
EQUIV PART(5007,OCC) PART(5008,OCC) 
WEIGHT -1 PART(5008,OCC) 
EQUIV PART(6005,OCC) PART(6006,OCC) 
WEIGHT -1 PART(6006,OCC) 
EQUIV PART(6007,OCC) PART(6008,OCC) 
WEIGHT -1 PART(6008,OCC) 
RIDE C   ( 103,X'S) H   (1031,X'S) 
RIDE C   ( 104,X'S) H   (1041,X'S) 
RIDE C   ( 108,X'S) H   (1081,X'S) 
RIDE C   ( 109,X'S) H   (1091,X'S) 
RIDE C   ( 113,X'S) H   (1131,X'S) 
RIDE C   ( 114,X'S) H   (1141,X'S) 
RIDE C   ( 118,X'S) H   (1181,X'S) 
RIDE C   ( 119,X'S) H   (1191,X'S) 
RIDE C   ( 130,X'S) H   (1301,X'S) 
RIDE C   ( 132,X'S) H   (1321,X'S) 
RIDE C   ( 134,X'S) H   (1341,X'S) 
RIDE C   ( 136,X'S) H   (1361,X'S) H   (1362,X'S) H   (1363,X'S) 
RIDE C   ( 137,X'S) H   (1371,X'S) H   (1372,X'S) H   (1373,X'S) 
RIDE C   ( 138,X'S) H   (1381,X'S) H   (1382,X'S) H   (1383,X'S) 
RIDE C   ( 140,X'S) H   (1401,X'S) H   (1402,X'S) H   (1403,X'S) 
RIDE C   ( 141,X'S) H   (1411,X'S) H   (1412,X'S) H   (1413,X'S) 
RIDE C   ( 142,X'S) H   (1421,X'S) H   (1422,X'S) H   (1423,X'S) 
RIDE C   ( 144,X'S) H   (1441,X'S) 
RIDE C   ( 146,X'S) H   (1461,X'S) 
RIDE C   ( 148,X'S) H   (1481,X'S) 
RIDE C   ( 150,X'S) H   (1501,X'S) H   (1502,X'S) H   (1503,X'S) 
RIDE C   ( 151,X'S) H   (1511,X'S) H   (1512,X'S) H   (1513,X'S) 
RIDE C   ( 152,X'S) H   (1521,X'S) H   (1522,X'S) H   (1523,X'S) 
RIDE C   ( 154,X'S) H   (1541,X'S) H   (1542,X'S) H   (1543,X'S) 
RIDE C   ( 155,X'S) H   (1551,X'S) H   (1552,X'S) H   (1553,X'S) 
RIDE C   ( 156,X'S) H   (1561,X'S) H   (1562,X'S) H   (1563,X'S) 
RIDE C   ( 166,X'S) H   (1661,X'S) H   (1662,X'S) H   (1663,X'S) 
RIDE C   ( 167,X'S) H   (1671,X'S) H   (1672,X'S) H   (1673,X'S) 
RIDE C   ( 168,X'S) H   (1681,X'S) H   (1682,X'S) H   (1683,X'S) 
RIDE C   ( 170,X'S) H   (1701,X'S) H   (1702,X'S) H   (1703,X'S) 
RIDE C   ( 171,X'S) H   (1711,X'S) H   (1712,X'S) H   (1713,X'S) 
RIDE C   ( 172,X'S) H   (1721,X'S) H   (1722,X'S) H   (1723,X'S) 
RIDE C   ( 203,X'S) H   (2031,X'S) 
RIDE C   ( 204,X'S) H   (2041,X'S) 
RIDE C   ( 208,X'S) H   (2081,X'S) 
RIDE C   ( 209,X'S) H   (2091,X'S) 
RIDE C   ( 213,X'S) H   (2131,X'S) 
RIDE C   ( 214,X'S) H   (2141,X'S) 
RIDE C   ( 218,X'S) H   (2181,X'S) 
RIDE C   ( 219,X'S) H   (2191,X'S) 
RIDE C   ( 230,X'S) H   (2301,X'S) 
RIDE C   ( 232,X'S) H   (2321,X'S) 
RIDE C   ( 234,X'S) H   (2341,X'S) 
RIDE C   ( 236,X'S) H   (2361,X'S) H   (2362,X'S) H   (2363,X'S) 
RIDE C   ( 237,X'S) H   (2371,X'S) H   (2372,X'S) H   (2373,X'S) 
RIDE C   ( 238,X'S) H   (2381,X'S) H   (2382,X'S) H   (2383,X'S) 
RIDE C   ( 240,X'S) H   (2401,X'S) H   (2402,X'S) H   (2403,X'S) 
RIDE C   ( 241,X'S) H   (2411,X'S) H   (2412,X'S) H   (2413,X'S) 
RIDE C   ( 242,X'S) H   (2421,X'S) H   (2422,X'S) H   (2423,X'S) 
RIDE C   ( 244,X'S) H   (2441,X'S) 
RIDE C   ( 246,X'S) H   (2461,X'S) 
RIDE C   ( 248,X'S) H   (2481,X'S) 
RIDE C   ( 250,X'S) H   (2501,X'S) H   (2502,X'S) H   (2503,X'S) 
RIDE C   ( 251,X'S) H   (2511,X'S) H   (2512,X'S) H   (2513,X'S) 
RIDE C   ( 252,X'S) H   (2521,X'S) H   (2522,X'S) H   (2523,X'S) 
RIDE C   ( 254,X'S) H   (2541,X'S) H   (2542,X'S) H   (2543,X'S) 
RIDE C   ( 255,X'S) H   (2551,X'S) H   (2552,X'S) H   (2553,X'S) 
RIDE C   ( 256,X'S) H   (2561,X'S) H   (2562,X'S) H   (2563,X'S) 
RIDE C   ( 266,X'S) H   (2661,X'S) H   (2662,X'S) H   (2663,X'S) 
RIDE C   ( 267,X'S) H   (2671,X'S) H   (2672,X'S) H   (2673,X'S) 
RIDE C   ( 268,X'S) H   (2681,X'S) H   (2682,X'S) H   (2683,X'S) 
RIDE C   ( 270,X'S) H   (2701,X'S) H   (2702,X'S) H   (2703,X'S) 
RIDE C   ( 271,X'S) H   (2711,X'S) H   (2712,X'S) H   (2713,X'S) 
RIDE C   ( 272,X'S) H   (2721,X'S) H   (2722,X'S) H   (2723,X'S) 
RIDE C   ( 280,X'S) H   (2801,X'S) H   (2802,X'S) H   (2803,X'S) 
RIDE C   ( 281,X'S) H   (2811,X'S) H   (2812,X'S) H   (2813,X'S) 
RIDE C   ( 282,X'S) H   (2821,X'S) H   (2822,X'S) H   (2823,X'S) 
RIDE C   ( 284,X'S) H   (2841,X'S) H   (2842,X'S) H   (2843,X'S) 
RIDE C   ( 285,X'S) H   (2851,X'S) H   (2852,X'S) H   (2853,X'S) 
RIDE C   ( 286,X'S) H   (2861,X'S) H   (2862,X'S) H   (2863,X'S) 
RIDE C   ( 303,X'S) H   (3031,X'S) 
RIDE C   ( 304,X'S) H   (3041,X'S) 
RIDE C   ( 308,X'S) H   (3081,X'S) 
RIDE C   ( 309,X'S) H   (3091,X'S) 
RIDE C   ( 313,X'S) H   (3131,X'S) 
RIDE C   ( 314,X'S) H   (3141,X'S) 
RIDE C   ( 318,X'S) H   (3181,X'S) 
RIDE C   ( 319,X'S) H   (3191,X'S) 
RIDE C   ( 330,X'S) H   (3301,X'S) 
RIDE C   ( 332,X'S) H   (3321,X'S) 
RIDE C   ( 334,X'S) H   (3341,X'S) 
RIDE C   ( 336,X'S) H   (3361,X'S) H   (3362,X'S) H   (3363,X'S) 
RIDE C   ( 337,X'S) H   (3371,X'S) H   (3372,X'S) H   (3373,X'S) 
RIDE C   ( 338,X'S) H   (3381,X'S) H   (3382,X'S) H   (3383,X'S) 
RIDE C   ( 340,X'S) H   (3401,X'S) H   (3402,X'S) H   (3403,X'S) 
RIDE C   ( 341,X'S) H   (3411,X'S) H   (3412,X'S) H   (3413,X'S) 
RIDE C   ( 342,X'S) H   (3421,X'S) H   (3422,X'S) H   (3423,X'S) 
RIDE C   ( 344,X'S) H   (3441,X'S) 
RIDE C   ( 346,X'S) H   (3461,X'S) 
RIDE C   ( 348,X'S) H   (3481,X'S) 
RIDE C   ( 350,X'S) H   (3501,X'S) H   (3502,X'S) H   (3503,X'S) 
RIDE C   ( 351,X'S) H   (3511,X'S) H   (3512,X'S) H   (3513,X'S) 
RIDE C   ( 352,X'S) H   (3521,X'S) H   (3522,X'S) H   (3523,X'S) 
RIDE C   ( 354,X'S) H   (3541,X'S) H   (3542,X'S) H   (3543,X'S) 
RIDE C   ( 355,X'S) H   (3551,X'S) H   (3552,X'S) H   (3553,X'S) 
RIDE C   ( 356,X'S) H   (3561,X'S) H   (3562,X'S) H   (3563,X'S) 
RIDE C   ( 380,X'S) H   (3801,X'S) H   (3802,X'S) H   (3803,X'S) 
RIDE C   ( 381,X'S) H   (3811,X'S) H   (3812,X'S) H   (3813,X'S) 
RIDE C   ( 382,X'S) H   (3821,X'S) H   (3822,X'S) H   (3823,X'S) 
RIDE C   ( 384,X'S) H   (3841,X'S) H   (3842,X'S) H   (3843,X'S) 
RIDE C   ( 385,X'S) H   (3851,X'S) H   (3852,X'S) H   (3853,X'S) 
RIDE C   ( 386,X'S) H   (3861,X'S) H   (3862,X'S) H   (3863,X'S) 
RIDE C   ( 402,X'S) H   (4021,X'S) 
RIDE C   ( 403,X'S) H   (4031,X'S) 
RIDE C   ( 405,X'S) H   (4051,X'S) 
RIDE C   ( 406,X'S) H   (4061,X'S) 
RIDE C   ( 408,X'S) H   (4081,X'S) 
RIDE C   ( 409,X'S) H   (4091,X'S) 
RIDE C   ( 411,X'S) H   (4111,X'S) 
RIDE C   ( 412,X'S) H   (4121,X'S) 
RIDE C   ( 414,X'S) H   (4141,X'S) 
RIDE C   ( 415,X'S) H   (4151,X'S) 
RIDE C   ( 416,X'S) H   (4161,X'S) 
RIDE C   ( 417,X'S) H   (4171,X'S) 
RIDE C   ( 502,X'S) H   (5021,X'S) 
RIDE C   ( 503,X'S) H   (5031,X'S) 
RIDE C   ( 505,X'S) H   (5051,X'S) 
RIDE C   ( 506,X'S) H   (5061,X'S) 
RIDE C   ( 508,X'S) H   (5081,X'S) 
RIDE C   ( 509,X'S) H   (5091,X'S) 
RIDE C   ( 511,X'S) H   (5111,X'S) 
RIDE C   ( 512,X'S) H   (5121,X'S) 
RIDE C   ( 514,X'S) H   (5141,X'S) 
RIDE C   ( 515,X'S) H   (5151,X'S) 
RIDE C   ( 516,X'S) H   (5161,X'S) 
RIDE C   ( 517,X'S) H   (5171,X'S) 
RIDE C   ( 602,X'S) H   (6021,X'S) 
RIDE C   ( 603,X'S) H   (6031,X'S) 
RIDE C   ( 605,X'S) H   (6051,X'S) 
RIDE C   ( 606,X'S) H   (6061,X'S) 
RIDE C   ( 608,X'S) H   (6081,X'S) 
RIDE C   ( 609,X'S) H   (6091,X'S) 
RIDE C   ( 611,X'S) H   (6111,X'S) 
RIDE C   ( 612,X'S) H   (6121,X'S) 
RIDE C   ( 614,X'S) H   (6141,X'S) 
RIDE C   ( 615,X'S) H   (6151,X'S) 
RIDE C   ( 616,X'S) H   (6161,X'S) 
RIDE C   ( 617,X'S) H   (6171,X'S) 
RIDE C   ( 701,X'S) H   (7011,X'S) 
RIDE C   ( 705,X'S) H   (7051,X'S) 
CONT CL  ( 706,X'S) CL  ( 707,X'S) CL  ( 708,X'S) 
END                                                                             
;
_iucr_refine_instruction_details_restraints
;
SAME  N(401)  C(402)  C(403)  C(404)  C(405)  C(406)  AND 
CONT  N(501)  C(502)  C(503)  C(504)  C(505)  C(506)  AND 
CONT  N(601)  C(602)  C(603)  C(604)  C(605)  C(606) 
SAME  C(407)  C(408)  C(409)  C(410)  C(411)  C(412)  AND 
CONT  C(408)  C(409)  C(410)  C(411)  C(412)  C(407)  AND 
CONT  C(409)  C(410)  C(411)  C(412)  C(407)  C(408)  AND 
CONT  C(410)  C(411)  C(412)  C(407)  C(408)  C(409)  AND 
CONT  C(411)  C(412)  C(407)  C(408)  C(409)  C(410)  AND 
CONT  C(412)  C(407)  C(408)  C(409)  C(410)  C(411)  AND 
CONT  C(507)  C(508)  C(509)  C(510)  C(511)  C(512)  AND 
CONT  C(508)  C(509)  C(510)  C(511)  C(512)  C(507)  AND 
CONT  C(509)  C(510)  C(511)  C(512)  C(507)  C(508)  AND 
CONT  C(510)  C(511)  C(512)  C(507)  C(508)  C(509)  AND 
CONT  C(511)  C(512)  C(507)  C(508)  C(509)  C(510)  AND 
CONT  C(512)  C(507)  C(508)  C(509)  C(510)  C(511)  AND 
CONT  C(607)  C(608)  C(609)  C(610)  C(611)  C(612)  AND 
CONT  C(608)  C(609)  C(610)  C(611)  C(612)  C(607)  AND 
CONT  C(609)  C(610)  C(611)  C(612)  C(607)  C(608)  AND 
CONT  C(610)  C(611)  C(612)  C(607)  C(608)  C(609)  AND 
CONT  C(611)  C(612)  C(607)  C(608)  C(609)  C(610)  AND 
CONT  C(612)  C(607)  C(608)  C(609)  C(610)  C(611)  AND 
CONT  C(407)  C(414)  C(415)  C(410)  C(416)  C(417)  AND 
CONT  C(414)  C(415)  C(410)  C(416)  C(417)  C(407)  AND 
CONT  C(415)  C(410)  C(416)  C(417)  C(407)  C(414)  AND 
CONT  C(410)  C(416)  C(417)  C(407)  C(414)  C(415)  AND 
CONT  C(416)  C(417)  C(407)  C(414)  C(415)  C(410)  AND 
CONT  C(417)  C(407)  C(414)  C(415)  C(410)  C(416)  AND 
CONT  C(507)  C(514)  C(515)  C(510)  C(516)  C(517)  AND 
CONT  C(514)  C(515)  C(510)  C(516)  C(517)  C(507)  AND 
CONT  C(515)  C(510)  C(516)  C(517)  C(507)  C(514)  AND 
CONT  C(510)  C(516)  C(517)  C(507)  C(514)  C(515)  AND 
CONT  C(516)  C(517)  C(507)  C(514)  C(515)  C(510)  AND 
CONT  C(517)  C(507)  C(514)  C(515)  C(510)  C(516)  AND 
CONT  C(607)  C(614)  C(615)  C(610)  C(616)  C(617)  AND 
CONT  C(614)  C(615)  C(610)  C(616)  C(617)  C(607)  AND 
CONT  C(615)  C(610)  C(616)  C(617)  C(607)  C(614)  AND 
CONT  C(610)  C(616)  C(617)  C(607)  C(614)  C(615)  AND 
CONT  C(616)  C(617)  C(607)  C(614)  C(615)  C(610)  AND 
CONT  C(617)  C(607)  C(614)  C(615)  C(610)  C(616) 
PLANAR 0.01  N(401)  C(402)  C(403)  C(404)  C(405)  C(406)  C(407) 
PLANAR 0.01  N(501)  C(502)  C(503)  C(504)  C(505)  C(506)  C(507) 
PLANAR 0.01  N(601)  C(602)  C(603)  C(604)  C(605)  C(606)  C(607) 
PLANAR 0.01  C(407)  C(408)  C(409)  C(410)  C(411)  C(412)  C(413) 
PLANAR 0.01  C(507)  C(508)  C(509)  C(510)  C(511)  C(512)  C(513) 
PLANAR 0.01  C(607)  C(608)  C(609)  C(610)  C(611)  C(612)  C(613) 
PLANAR 0.01  C(407)  C(414)  C(415)  C(410)  C(416)  C(417)  C(413) 
PLANAR 0.01  C(507)  C(514)  C(515)  C(510)  C(516)  C(517)  C(513) 
PLANAR 0.01  C(607)  C(614)  C(615)  C(610)  C(616)  C(617)  C(613) 
SAME C(131) C(135) C(136) C(137) C(138) AND 
CONT C(133) C(139) C(140) C(141) C(142) AND 
CONT C(145) C(149) C(150) C(151) C(152) AND 
CONT C(147) C(153) C(154) C(155) C(156) AND 
CONT C(231) C(235) C(236) C(237) C(238) AND 
CONT C(233) C(239) C(240) C(241) C(242) AND 
CONT C(245) C(249) C(250) C(251) C(252) AND 
CONT C(247) C(253) C(254) C(255) C(256) AND 
CONT C(331) C(335) C(336) C(337) C(338) AND 
CONT C(333) C(339) C(340) C(341) C(342) AND 
CONT C(345) C(349) C(350) C(351) C(352) AND 
CONT C(347) C(353) C(354) C(355) C(356) AND 
CONT C(131) C(135) C(166) C(167) C(168) AND 
CONT C(133) C(139) C(170) C(171) C(172) AND 
CONT C(231) C(235) C(266) C(267) C(268) AND 
CONT C(233) C(239) C(270) C(271) C(272) AND 
CONT C(245) C(249) C(280) C(281) C(282) AND 
CONT C(247) C(253) C(284) C(285) C(286) AND 
CONT C(345) C(349) C(380) C(381) C(382) AND 
CONT C(347) C(353) C(384) C(385) C(386) 
SAME C(701) CL(702) CL(703) CL(704) AND 
CONT C(701) CL(703) CL(704) CL(702) AND 
CONT C(701) CL(704) CL(702) CL(703) AND 
CONT C(705) CL(706) CL(707) CL(708) AND 
CONT C(705) CL(707) CL(708) CL(706) AND 
CONT C(705) CL(708) CL(706) CL(707) 
REM CONT C(709) CL(710) CL(711) CL(712) AND 
REM CONT C(709) CL(711) CL(712) CL(710) AND 
REM CONT C(709) CL(712) CL(710) CL(711) 
REM   DELU   START (DO NOT REMOVE THIS LINE) 
VIBR .0, 0.00200 = ZN(100) TO N(101) 
VIBR .0, 0.00200 = ZN(100) TO N(106) 
VIBR .0, 0.00200 = ZN(100) TO N(111) 
VIBR .0, 0.00200 = ZN(100) TO N(116) 
VIBR .0, 0.00200 = ZN(100) TO N(401) 
VIBR .0, 0.00500 = N(106) TO N(101) 
VIBR .0, 0.00500 = N(111) TO N(101) 
VIBR .0, 0.00500 = N(111) TO N(106) 
VIBR .0, 0.00500 = N(116) TO N(101) 
VIBR .0, 0.00500 = N(116) TO N(106) 
VIBR .0, 0.00500 = N(116) TO N(111) 
VIBR .0, 0.00500 = N(401) TO N(101) 
VIBR .0, 0.00500 = N(401) TO N(106) 
VIBR .0, 0.00500 = N(401) TO N(111) 
VIBR .0, 0.00500 = N(401) TO N(116) 
VIBR .0, 0.00200 = N(101) TO C(102) 
VIBR .0, 0.00200 = N(101) TO C(105) 
VIBR .0, 0.00500 = C(102) TO ZN(100) 
VIBR .0, 0.00500 = C(105) TO ZN(100) 
VIBR .0, 0.00500 = C(105) TO C(102) 
VIBR .0, 0.00200 = C(102) TO C(103) 
VIBR .0, 0.00200 = C(102) TO C(121) 
VIBR .0, 0.00500 = C(103) TO N(101) 
VIBR .0, 0.00500 = C(121) TO N(101) 
VIBR .0, 0.00500 = C(121) TO C(103) 
VIBR .0, 0.00200 = C(103) TO C(104) 
VIBR .0, 0.00500 = C(104) TO C(102) 
VIBR .0, 0.00200 = C(104) TO C(105) 
VIBR .0, 0.00500 = C(105) TO C(103) 
VIBR .0, 0.00200 = C(105) TO C(127) 
VIBR .0, 0.00500 = N(101) TO C(104) 
VIBR .0, 0.00500 = C(127) TO C(104) 
VIBR .0, 0.00500 = C(127) TO N(101) 
VIBR .0, 0.00200 = N(106) TO C(107) 
VIBR .0, 0.00200 = N(106) TO C(258) 
VIBR .0, 0.00500 = C(107) TO ZN(100) 
VIBR .0, 0.00500 = C(258) TO ZN(100) 
VIBR .0, 0.00500 = C(258) TO C(107) 
VIBR .0, 0.00200 = C(107) TO C(108) 
VIBR .0, 0.00200 = C(107) TO C(127) 
VIBR .0, 0.00500 = C(108) TO N(106) 
VIBR .0, 0.00500 = C(127) TO N(106) 
VIBR .0, 0.00500 = C(127) TO C(108) 
VIBR .0, 0.00200 = C(108) TO C(109) 
VIBR .0, 0.00500 = C(109) TO C(107) 
VIBR .0, 0.00200 = C(109) TO C(258) 
VIBR .0, 0.00500 = C(258) TO C(108) 
VIBR .0, 0.00200 = N(111) TO C(112) 
VIBR .0, 0.00200 = N(111) TO C(115) 
VIBR .0, 0.00500 = C(112) TO ZN(100) 
VIBR .0, 0.00500 = C(115) TO ZN(100) 
VIBR .0, 0.00500 = C(115) TO C(112) 
VIBR .0, 0.00200 = C(112) TO C(113) 
VIBR .0, 0.00200 = C(112) TO C(259) 
VIBR .0, 0.00500 = C(113) TO N(111) 
VIBR .0, 0.00500 = C(259) TO N(111) 
VIBR .0, 0.00500 = C(259) TO C(113) 
VIBR .0, 0.00200 = C(113) TO C(114) 
VIBR .0, 0.00500 = C(114) TO C(112) 
VIBR .0, 0.00200 = C(114) TO C(115) 
VIBR .0, 0.00500 = C(115) TO C(113) 
VIBR .0, 0.00200 = C(115) TO C(128) 
VIBR .0, 0.00500 = N(111) TO C(114) 
VIBR .0, 0.00500 = C(128) TO C(114) 
VIBR .0, 0.00500 = C(128) TO N(111) 
VIBR .0, 0.00200 = N(116) TO C(117) 
VIBR .0, 0.00200 = N(116) TO C(120) 
VIBR .0, 0.00500 = C(117) TO ZN(100) 
VIBR .0, 0.00500 = C(120) TO ZN(100) 
VIBR .0, 0.00500 = C(120) TO C(117) 
VIBR .0, 0.00200 = C(117) TO C(118) 
VIBR .0, 0.00200 = C(117) TO C(128) 
VIBR .0, 0.00500 = C(118) TO N(116) 
VIBR .0, 0.00500 = C(128) TO N(116) 
VIBR .0, 0.00500 = C(128) TO C(118) 
VIBR .0, 0.00200 = C(118) TO C(119) 
VIBR .0, 0.00500 = C(119) TO C(117) 
VIBR .0, 0.00200 = C(119) TO C(120) 
VIBR .0, 0.00500 = C(120) TO C(118) 
VIBR .0, 0.00200 = C(120) TO C(121) 
VIBR .0, 0.00500 = C(119) TO N(116) 
VIBR .0, 0.00500 = C(121) TO N(116) 
VIBR .0, 0.00500 = C(121) TO C(119) 
VIBR .0, 0.00200 = C(121) TO C(122) 
VIBR .0, 0.00500 = C(102) TO C(120) 
VIBR .0, 0.00500 = C(122) TO C(120) 
VIBR .0, 0.00500 = C(122) TO C(102) 
VIBR .0, 0.00200 = C(122) TO C(123) 
VIBR .0, 0.00500 = C(123) TO C(121) 
VIBR .0, 0.00200 = C(123) TO C(326,-1,1,1,0,1) 
VIBR .0, 0.00500 = C(122) TO C(326,-1,1,1,0,1) 
VIBR .0, 0.00200 = C(125) TO C(126) 
VIBR .0, 0.00200 = C(125) TO C(259) 
VIBR .0, 0.00500 = C(259) TO C(126) 
VIBR .0, 0.00200 = C(126) TO C(223) 
VIBR .0, 0.00500 = C(223) TO C(125) 
VIBR .0, 0.00200 = C(127) TO C(129) 
VIBR .0, 0.00500 = C(107) TO C(105) 
VIBR .0, 0.00500 = C(129) TO C(105) 
VIBR .0, 0.00500 = C(129) TO C(107) 
VIBR .0, 0.00200 = C(128) TO C(143) 
VIBR .0, 0.00500 = C(117) TO C(115) 
VIBR .0, 0.00500 = C(143) TO C(115) 
VIBR .0, 0.00500 = C(143) TO C(117) 
VIBR .0, 0.00200 = C(129) TO C(130) 
VIBR .0, 0.00200 = C(129) TO C(134) 
VIBR .0, 0.00500 = C(130) TO C(127) 
VIBR .0, 0.00500 = C(134) TO C(127) 
VIBR .0, 0.00500 = C(134) TO C(130) 
VIBR .0, 0.00200 = C(130) TO C(131) 
VIBR .0, 0.00500 = C(131) TO C(129) 
VIBR .0, 0.00200 = C(131) TO C(132) 
VIBR .0, 0.00200 = C(131) TO C(135) 
VIBR .0, 0.00500 = C(132) TO C(130) 
VIBR .0, 0.00500 = C(135) TO C(130) 
VIBR .0, 0.00500 = C(135) TO C(132) 
VIBR .0, 0.00200 = C(132) TO C(133) 
VIBR .0, 0.00500 = C(133) TO C(131) 
VIBR .0, 0.00200 = C(133) TO C(134) 
VIBR .0, 0.00200 = C(133) TO C(139) 
VIBR .0, 0.00500 = C(134) TO C(132) 
VIBR .0, 0.00500 = C(139) TO C(132) 
VIBR .0, 0.00500 = C(139) TO C(134) 
VIBR .0, 0.00500 = C(129) TO C(133) 
VIBR .0, 0.00200 = C(135) TO C(136) 
VIBR .0, 0.00200 = C(135) TO C(137) 
VIBR .0, 0.00200 = C(135) TO C(138) 
VIBR .0, 0.00500 = C(136) TO C(131) 
VIBR .0, 0.00500 = C(137) TO C(131) 
VIBR .0, 0.00500 = C(137) TO C(136) 
VIBR .0, 0.00500 = C(138) TO C(131) 
VIBR .0, 0.00500 = C(138) TO C(136) 
VIBR .0, 0.00500 = C(138) TO C(137) 
VIBR .0, 0.00200 = C(135) TO C(166) 
VIBR .0, 0.00200 = C(135) TO C(167) 
VIBR .0, 0.00200 = C(135) TO C(168) 
VIBR .0, 0.00500 = C(166) TO C(131) 
VIBR .0, 0.00500 = C(167) TO C(131) 
VIBR .0, 0.00500 = C(167) TO C(166) 
VIBR .0, 0.00500 = C(168) TO C(131) 
VIBR .0, 0.00500 = C(168) TO C(166) 
VIBR .0, 0.00500 = C(168) TO C(167) 
VIBR .0, 0.00200 = C(139) TO C(140) 
VIBR .0, 0.00200 = C(139) TO C(141) 
VIBR .0, 0.00200 = C(139) TO C(142) 
VIBR .0, 0.00500 = C(140) TO C(133) 
VIBR .0, 0.00500 = C(141) TO C(133) 
VIBR .0, 0.00500 = C(141) TO C(140) 
VIBR .0, 0.00500 = C(142) TO C(133) 
VIBR .0, 0.00500 = C(142) TO C(140) 
VIBR .0, 0.00500 = C(142) TO C(141) 
VIBR .0, 0.00200 = C(139) TO C(170) 
VIBR .0, 0.00200 = C(139) TO C(171) 
VIBR .0, 0.00200 = C(139) TO C(172) 
VIBR .0, 0.00500 = C(170) TO C(133) 
VIBR .0, 0.00500 = C(171) TO C(133) 
VIBR .0, 0.00500 = C(171) TO C(170) 
VIBR .0, 0.00500 = C(172) TO C(133) 
VIBR .0, 0.00500 = C(172) TO C(170) 
VIBR .0, 0.00500 = C(172) TO C(171) 
VIBR .0, 0.00200 = C(143) TO C(144) 
VIBR .0, 0.00200 = C(143) TO C(148) 
VIBR .0, 0.00500 = C(144) TO C(128) 
VIBR .0, 0.00500 = C(148) TO C(128) 
VIBR .0, 0.00500 = C(148) TO C(144) 
VIBR .0, 0.00200 = C(144) TO C(145) 
VIBR .0, 0.00500 = C(145) TO C(143) 
VIBR .0, 0.00200 = C(145) TO C(146) 
VIBR .0, 0.00200 = C(145) TO C(149) 
VIBR .0, 0.00500 = C(146) TO C(144) 
VIBR .0, 0.00500 = C(149) TO C(144) 
VIBR .0, 0.00500 = C(149) TO C(146) 
VIBR .0, 0.00200 = C(146) TO C(147) 
VIBR .0, 0.00500 = C(147) TO C(145) 
VIBR .0, 0.00200 = C(147) TO C(148) 
VIBR .0, 0.00200 = C(147) TO C(153) 
VIBR .0, 0.00500 = C(148) TO C(146) 
VIBR .0, 0.00500 = C(153) TO C(146) 
VIBR .0, 0.00500 = C(153) TO C(148) 
VIBR .0, 0.00500 = C(143) TO C(147) 
VIBR .0, 0.00200 = C(149) TO C(150) 
VIBR .0, 0.00200 = C(149) TO C(151) 
VIBR .0, 0.00200 = C(149) TO C(152) 
VIBR .0, 0.00500 = C(150) TO C(145) 
VIBR .0, 0.00500 = C(151) TO C(145) 
VIBR .0, 0.00500 = C(151) TO C(150) 
VIBR .0, 0.00500 = C(152) TO C(145) 
VIBR .0, 0.00500 = C(152) TO C(150) 
VIBR .0, 0.00500 = C(152) TO C(151) 
VIBR .0, 0.00200 = C(153) TO C(154) 
VIBR .0, 0.00200 = C(153) TO C(155) 
VIBR .0, 0.00200 = C(153) TO C(156) 
VIBR .0, 0.00500 = C(154) TO C(147) 
VIBR .0, 0.00500 = C(155) TO C(147) 
VIBR .0, 0.00500 = C(155) TO C(154) 
VIBR .0, 0.00500 = C(156) TO C(147) 
VIBR .0, 0.00500 = C(156) TO C(154) 
VIBR .0, 0.00500 = C(156) TO C(155) 
VIBR .0, 0.00200 = ZN(200) TO N(201) 
VIBR .0, 0.00200 = ZN(200) TO N(206) 
VIBR .0, 0.00200 = ZN(200) TO N(211) 
VIBR .0, 0.00200 = ZN(200) TO N(216) 
VIBR .0, 0.00200 = ZN(200) TO N(501) 
VIBR .0, 0.00500 = N(206) TO N(201) 
VIBR .0, 0.00500 = N(211) TO N(201) 
VIBR .0, 0.00500 = N(211) TO N(206) 
VIBR .0, 0.00500 = N(216) TO N(201) 
VIBR .0, 0.00500 = N(216) TO N(206) 
VIBR .0, 0.00500 = N(216) TO N(211) 
VIBR .0, 0.00500 = N(501) TO N(201) 
VIBR .0, 0.00500 = N(501) TO N(206) 
VIBR .0, 0.00500 = N(501) TO N(211) 
VIBR .0, 0.00500 = N(501) TO N(216) 
VIBR .0, 0.00200 = N(201) TO C(202) 
VIBR .0, 0.00200 = N(201) TO C(205) 
VIBR .0, 0.00500 = C(202) TO ZN(200) 
VIBR .0, 0.00500 = C(205) TO ZN(200) 
VIBR .0, 0.00500 = C(205) TO C(202) 
VIBR .0, 0.00200 = C(202) TO C(203) 
VIBR .0, 0.00200 = C(202) TO C(221) 
VIBR .0, 0.00500 = C(203) TO N(201) 
VIBR .0, 0.00500 = C(221) TO N(201) 
VIBR .0, 0.00500 = C(221) TO C(203) 
VIBR .0, 0.00200 = C(203) TO C(204) 
VIBR .0, 0.00500 = C(204) TO C(202) 
VIBR .0, 0.00200 = C(204) TO C(205) 
VIBR .0, 0.00500 = C(205) TO C(203) 
VIBR .0, 0.00200 = C(205) TO C(227) 
VIBR .0, 0.00500 = N(201) TO C(204) 
VIBR .0, 0.00500 = C(227) TO C(204) 
VIBR .0, 0.00500 = C(227) TO N(201) 
VIBR .0, 0.00200 = N(206) TO C(207) 
VIBR .0, 0.00200 = N(206) TO C(257) 
VIBR .0, 0.00500 = C(207) TO ZN(200) 
VIBR .0, 0.00500 = C(257) TO ZN(200) 
VIBR .0, 0.00500 = C(257) TO C(207) 
VIBR .0, 0.00200 = C(207) TO C(208) 
VIBR .0, 0.00200 = C(207) TO C(227) 
VIBR .0, 0.00500 = C(208) TO N(206) 
VIBR .0, 0.00500 = C(227) TO N(206) 
VIBR .0, 0.00500 = C(227) TO C(208) 
VIBR .0, 0.00200 = C(208) TO C(209) 
VIBR .0, 0.00500 = C(209) TO C(207) 
VIBR .0, 0.00200 = C(209) TO C(257) 
VIBR .0, 0.00500 = C(257) TO C(208) 
VIBR .0, 0.00200 = N(211) TO C(212) 
VIBR .0, 0.00200 = N(211) TO C(215) 
VIBR .0, 0.00500 = C(212) TO ZN(200) 
VIBR .0, 0.00500 = C(215) TO ZN(200) 
VIBR .0, 0.00500 = C(215) TO C(212) 
VIBR .0, 0.00200 = C(212) TO C(213) 
VIBR .0, 0.00200 = C(212) TO C(224) 
VIBR .0, 0.00500 = C(213) TO N(211) 
VIBR .0, 0.00500 = C(224) TO N(211) 
VIBR .0, 0.00500 = C(224) TO C(213) 
VIBR .0, 0.00200 = C(213) TO C(214) 
VIBR .0, 0.00500 = C(214) TO C(212) 
VIBR .0, 0.00200 = C(214) TO C(215) 
VIBR .0, 0.00500 = C(215) TO C(213) 
VIBR .0, 0.00200 = C(215) TO C(228) 
VIBR .0, 0.00500 = N(211) TO C(214) 
VIBR .0, 0.00500 = C(228) TO C(214) 
VIBR .0, 0.00500 = C(228) TO N(211) 
VIBR .0, 0.00200 = N(216) TO C(217) 
VIBR .0, 0.00200 = N(216) TO C(220) 
VIBR .0, 0.00500 = C(217) TO ZN(200) 
VIBR .0, 0.00500 = C(220) TO ZN(200) 
VIBR .0, 0.00500 = C(220) TO C(217) 
VIBR .0, 0.00200 = C(217) TO C(218) 
VIBR .0, 0.00200 = C(217) TO C(228) 
VIBR .0, 0.00500 = C(218) TO N(216) 
VIBR .0, 0.00500 = C(228) TO N(216) 
VIBR .0, 0.00500 = C(228) TO C(218) 
VIBR .0, 0.00200 = C(218) TO C(219) 
VIBR .0, 0.00500 = C(219) TO C(217) 
VIBR .0, 0.00200 = C(219) TO C(220) 
VIBR .0, 0.00500 = C(220) TO C(218) 
VIBR .0, 0.00200 = C(220) TO C(221) 
VIBR .0, 0.00500 = N(216) TO C(219) 
VIBR .0, 0.00500 = C(221) TO C(219) 
VIBR .0, 0.00500 = C(221) TO N(216) 
VIBR .0, 0.00200 = C(221) TO C(222) 
VIBR .0, 0.00500 = C(220) TO C(202) 
VIBR .0, 0.00500 = C(222) TO C(202) 
VIBR .0, 0.00500 = C(222) TO C(220) 
VIBR .0, 0.00200 = C(222) TO C(223) 
VIBR .0, 0.00500 = C(223) TO C(221) 
VIBR .0, 0.00500 = C(222) TO C(126) 
VIBR .0, 0.00200 = C(224) TO C(225) 
VIBR .0, 0.00200 = C(224) TO C(257) 
VIBR .0, 0.00500 = C(225) TO C(212) 
VIBR .0, 0.00500 = C(257) TO C(212) 
VIBR .0, 0.00500 = C(257) TO C(225) 
VIBR .0, 0.00200 = C(225) TO C(226) 
VIBR .0, 0.00500 = C(226) TO C(224) 
VIBR .0, 0.00200 = C(226) TO C(323) 
VIBR .0, 0.00500 = C(323) TO C(225) 
VIBR .0, 0.00200 = C(227) TO C(229) 
VIBR .0, 0.00500 = C(207) TO C(205) 
VIBR .0, 0.00500 = C(229) TO C(205) 
VIBR .0, 0.00500 = C(229) TO C(207) 
VIBR .0, 0.00200 = C(228) TO C(243) 
VIBR .0, 0.00500 = C(215) TO C(217) 
VIBR .0, 0.00500 = C(243) TO C(217) 
VIBR .0, 0.00500 = C(243) TO C(215) 
VIBR .0, 0.00200 = C(229) TO C(230) 
VIBR .0, 0.00200 = C(229) TO C(234) 
VIBR .0, 0.00500 = C(230) TO C(227) 
VIBR .0, 0.00500 = C(234) TO C(227) 
VIBR .0, 0.00500 = C(234) TO C(230) 
VIBR .0, 0.00200 = C(230) TO C(231) 
VIBR .0, 0.00500 = C(231) TO C(229) 
VIBR .0, 0.00200 = C(231) TO C(232) 
VIBR .0, 0.00200 = C(231) TO C(235) 
VIBR .0, 0.00500 = C(232) TO C(230) 
VIBR .0, 0.00500 = C(235) TO C(230) 
VIBR .0, 0.00500 = C(235) TO C(232) 
VIBR .0, 0.00200 = C(232) TO C(233) 
VIBR .0, 0.00500 = C(233) TO C(231) 
VIBR .0, 0.00200 = C(233) TO C(234) 
VIBR .0, 0.00200 = C(233) TO C(239) 
VIBR .0, 0.00500 = C(234) TO C(232) 
VIBR .0, 0.00500 = C(239) TO C(232) 
VIBR .0, 0.00500 = C(239) TO C(234) 
VIBR .0, 0.00500 = C(229) TO C(233) 
VIBR .0, 0.00200 = C(235) TO C(236) 
VIBR .0, 0.00200 = C(235) TO C(237) 
VIBR .0, 0.00200 = C(235) TO C(238) 
VIBR .0, 0.00500 = C(236) TO C(231) 
VIBR .0, 0.00500 = C(237) TO C(231) 
VIBR .0, 0.00500 = C(237) TO C(236) 
VIBR .0, 0.00500 = C(238) TO C(231) 
VIBR .0, 0.00500 = C(238) TO C(236) 
VIBR .0, 0.00500 = C(238) TO C(237) 
VIBR .0, 0.00200 = C(235) TO C(266) 
VIBR .0, 0.00200 = C(235) TO C(267) 
VIBR .0, 0.00200 = C(235) TO C(268) 
VIBR .0, 0.00500 = C(266) TO C(231) 
VIBR .0, 0.00500 = C(267) TO C(231) 
VIBR .0, 0.00500 = C(267) TO C(266) 
VIBR .0, 0.00500 = C(268) TO C(231) 
VIBR .0, 0.00500 = C(268) TO C(266) 
VIBR .0, 0.00500 = C(268) TO C(267) 
VIBR .0, 0.00200 = C(239) TO C(240) 
VIBR .0, 0.00200 = C(239) TO C(241) 
VIBR .0, 0.00200 = C(239) TO C(242) 
VIBR .0, 0.00500 = C(240) TO C(233) 
VIBR .0, 0.00500 = C(241) TO C(233) 
VIBR .0, 0.00500 = C(241) TO C(240) 
VIBR .0, 0.00500 = C(242) TO C(233) 
VIBR .0, 0.00500 = C(242) TO C(240) 
VIBR .0, 0.00500 = C(242) TO C(241) 
VIBR .0, 0.00200 = C(239) TO C(270) 
VIBR .0, 0.00200 = C(239) TO C(271) 
VIBR .0, 0.00200 = C(239) TO C(272) 
VIBR .0, 0.00500 = C(270) TO C(233) 
VIBR .0, 0.00500 = C(271) TO C(233) 
VIBR .0, 0.00500 = C(271) TO C(270) 
VIBR .0, 0.00500 = C(272) TO C(233) 
VIBR .0, 0.00500 = C(272) TO C(270) 
VIBR .0, 0.00500 = C(272) TO C(271) 
VIBR .0, 0.00200 = C(243) TO C(244) 
VIBR .0, 0.00200 = C(243) TO C(248) 
VIBR .0, 0.00500 = C(244) TO C(228) 
VIBR .0, 0.00500 = C(248) TO C(228) 
VIBR .0, 0.00500 = C(248) TO C(244) 
VIBR .0, 0.00200 = C(244) TO C(245) 
VIBR .0, 0.00500 = C(245) TO C(243) 
VIBR .0, 0.00200 = C(245) TO C(246) 
VIBR .0, 0.00200 = C(245) TO C(249) 
VIBR .0, 0.00500 = C(246) TO C(244) 
VIBR .0, 0.00500 = C(249) TO C(244) 
VIBR .0, 0.00500 = C(249) TO C(246) 
VIBR .0, 0.00200 = C(246) TO C(247) 
VIBR .0, 0.00500 = C(247) TO C(245) 
VIBR .0, 0.00200 = C(247) TO C(248) 
VIBR .0, 0.00200 = C(247) TO C(253) 
VIBR .0, 0.00500 = C(248) TO C(246) 
VIBR .0, 0.00500 = C(253) TO C(246) 
VIBR .0, 0.00500 = C(253) TO C(248) 
VIBR .0, 0.00500 = C(247) TO C(243) 
VIBR .0, 0.00200 = C(249) TO C(250) 
VIBR .0, 0.00200 = C(249) TO C(251) 
VIBR .0, 0.00200 = C(249) TO C(252) 
VIBR .0, 0.00500 = C(250) TO C(245) 
VIBR .0, 0.00500 = C(251) TO C(245) 
VIBR .0, 0.00500 = C(251) TO C(250) 
VIBR .0, 0.00500 = C(252) TO C(245) 
VIBR .0, 0.00500 = C(252) TO C(250) 
VIBR .0, 0.00500 = C(252) TO C(251) 
VIBR .0, 0.00200 = C(249) TO C(280) 
VIBR .0, 0.00200 = C(249) TO C(281) 
VIBR .0, 0.00200 = C(249) TO C(282) 
VIBR .0, 0.00500 = C(280) TO C(245) 
VIBR .0, 0.00500 = C(281) TO C(245) 
VIBR .0, 0.00500 = C(281) TO C(280) 
VIBR .0, 0.00500 = C(282) TO C(245) 
VIBR .0, 0.00500 = C(282) TO C(280) 
VIBR .0, 0.00500 = C(282) TO C(281) 
VIBR .0, 0.00200 = C(253) TO C(254) 
VIBR .0, 0.00200 = C(253) TO C(255) 
VIBR .0, 0.00200 = C(253) TO C(256) 
VIBR .0, 0.00500 = C(254) TO C(247) 
VIBR .0, 0.00500 = C(255) TO C(247) 
VIBR .0, 0.00500 = C(255) TO C(254) 
VIBR .0, 0.00500 = C(256) TO C(247) 
VIBR .0, 0.00500 = C(256) TO C(254) 
VIBR .0, 0.00500 = C(256) TO C(255) 
VIBR .0, 0.00200 = C(253) TO C(284) 
VIBR .0, 0.00200 = C(253) TO C(285) 
VIBR .0, 0.00200 = C(253) TO C(286) 
VIBR .0, 0.00500 = C(284) TO C(247) 
VIBR .0, 0.00500 = C(285) TO C(247) 
VIBR .0, 0.00500 = C(285) TO C(284) 
VIBR .0, 0.00500 = C(286) TO C(247) 
VIBR .0, 0.00500 = C(286) TO C(284) 
VIBR .0, 0.00500 = C(286) TO C(285) 
VIBR .0, 0.00500 = C(224) TO C(209) 
VIBR .0, 0.00500 = N(206) TO C(209) 
VIBR .0, 0.00500 = N(206) TO C(224) 
VIBR .0, 0.00200 = C(258) TO C(259) 
VIBR .0, 0.00500 = N(106) TO C(109) 
VIBR .0, 0.00500 = C(259) TO C(109) 
VIBR .0, 0.00500 = C(259) TO N(106) 
VIBR .0, 0.00500 = C(112) TO C(125) 
VIBR .0, 0.00500 = C(258) TO C(125) 
VIBR .0, 0.00500 = C(258) TO C(112) 
VIBR .0, 0.00200 = ZN(300) TO N(301) 
VIBR .0, 0.00200 = ZN(300) TO N(306) 
VIBR .0, 0.00200 = ZN(300) TO N(311) 
VIBR .0, 0.00200 = ZN(300) TO N(316) 
VIBR .0, 0.00200 = ZN(300) TO N(601) 
VIBR .0, 0.00500 = N(306) TO N(301) 
VIBR .0, 0.00500 = N(311) TO N(301) 
VIBR .0, 0.00500 = N(311) TO N(306) 
VIBR .0, 0.00500 = N(316) TO N(301) 
VIBR .0, 0.00500 = N(316) TO N(306) 
VIBR .0, 0.00500 = N(316) TO N(311) 
VIBR .0, 0.00500 = N(601) TO N(301) 
VIBR .0, 0.00500 = N(601) TO N(306) 
VIBR .0, 0.00500 = N(601) TO N(311) 
VIBR .0, 0.00500 = N(601) TO N(316) 
VIBR .0, 0.00200 = N(301) TO C(302) 
VIBR .0, 0.00200 = N(301) TO C(305) 
VIBR .0, 0.00500 = C(302) TO ZN(300) 
VIBR .0, 0.00500 = C(305) TO ZN(300) 
VIBR .0, 0.00500 = C(305) TO C(302) 
VIBR .0, 0.00200 = C(302) TO C(303) 
VIBR .0, 0.00200 = C(302) TO C(321) 
VIBR .0, 0.00500 = C(303) TO N(301) 
VIBR .0, 0.00500 = C(321) TO N(301) 
VIBR .0, 0.00500 = C(321) TO C(303) 
VIBR .0, 0.00200 = C(303) TO C(304) 
VIBR .0, 0.00500 = C(304) TO C(302) 
VIBR .0, 0.00200 = C(304) TO C(305) 
VIBR .0, 0.00500 = C(305) TO C(303) 
VIBR .0, 0.00200 = C(305) TO C(327) 
VIBR .0, 0.00500 = N(301) TO C(304) 
VIBR .0, 0.00500 = C(327) TO C(304) 
VIBR .0, 0.00500 = C(327) TO N(301) 
VIBR .0, 0.00200 = N(306) TO C(307) 
VIBR .0, 0.00200 = N(306) TO C(310) 
VIBR .0, 0.00500 = C(307) TO ZN(300) 
VIBR .0, 0.00500 = C(310) TO ZN(300) 
VIBR .0, 0.00500 = C(310) TO C(307) 
VIBR .0, 0.00200 = C(307) TO C(308) 
VIBR .0, 0.00200 = C(307) TO C(327) 
VIBR .0, 0.00500 = C(308) TO N(306) 
VIBR .0, 0.00500 = C(327) TO N(306) 
VIBR .0, 0.00500 = C(327) TO C(308) 
VIBR .0, 0.00200 = C(308) TO C(309) 
VIBR .0, 0.00500 = C(309) TO C(307) 
VIBR .0, 0.00200 = C(309) TO C(310) 
VIBR .0, 0.00500 = C(310) TO C(308) 
VIBR .0, 0.00200 = C(310) TO C(324) 
VIBR .0, 0.00500 = N(306) TO C(309) 
VIBR .0, 0.00500 = C(324) TO C(309) 
VIBR .0, 0.00500 = C(324) TO N(306) 
VIBR .0, 0.00200 = N(311) TO C(312) 
VIBR .0, 0.00200 = N(311) TO C(315) 
VIBR .0, 0.00500 = C(312) TO ZN(300) 
VIBR .0, 0.00500 = C(315) TO ZN(300) 
VIBR .0, 0.00500 = C(315) TO C(312) 
VIBR .0, 0.00200 = C(312) TO C(313) 
VIBR .0, 0.00200 = C(312) TO C(324) 
VIBR .0, 0.00500 = C(313) TO N(311) 
VIBR .0, 0.00500 = C(324) TO N(311) 
VIBR .0, 0.00500 = C(324) TO C(313) 
VIBR .0, 0.00200 = C(313) TO C(314) 
VIBR .0, 0.00500 = C(314) TO C(312) 
VIBR .0, 0.00200 = C(314) TO C(315) 
VIBR .0, 0.00500 = C(315) TO C(313) 
VIBR .0, 0.00200 = C(315) TO C(328) 
VIBR .0, 0.00500 = N(311) TO C(314) 
VIBR .0, 0.00500 = C(328) TO C(314) 
VIBR .0, 0.00500 = C(328) TO N(311) 
VIBR .0, 0.00200 = N(316) TO C(317) 
VIBR .0, 0.00200 = N(316) TO C(320) 
VIBR .0, 0.00500 = C(317) TO ZN(300) 
VIBR .0, 0.00500 = C(320) TO ZN(300) 
VIBR .0, 0.00500 = C(320) TO C(317) 
VIBR .0, 0.00200 = C(317) TO C(318) 
VIBR .0, 0.00200 = C(317) TO C(328) 
VIBR .0, 0.00500 = C(318) TO N(316) 
VIBR .0, 0.00500 = C(328) TO N(316) 
VIBR .0, 0.00500 = C(328) TO C(318) 
VIBR .0, 0.00200 = C(318) TO C(319) 
VIBR .0, 0.00500 = C(319) TO C(317) 
VIBR .0, 0.00200 = C(319) TO C(320) 
VIBR .0, 0.00500 = C(320) TO C(318) 
VIBR .0, 0.00200 = C(320) TO C(321) 
VIBR .0, 0.00500 = N(316) TO C(319) 
VIBR .0, 0.00500 = C(321) TO C(319) 
VIBR .0, 0.00500 = C(321) TO N(316) 
VIBR .0, 0.00200 = C(321) TO C(322) 
VIBR .0, 0.00500 = C(320) TO C(302) 
VIBR .0, 0.00500 = C(322) TO C(302) 
VIBR .0, 0.00500 = C(322) TO C(320) 
VIBR .0, 0.00200 = C(322) TO C(323) 
VIBR .0, 0.00500 = C(323) TO C(321) 
VIBR .0, 0.00500 = C(322) TO C(226) 
VIBR .0, 0.00200 = C(324) TO C(325) 
VIBR .0, 0.00500 = C(310) TO C(312) 
VIBR .0, 0.00500 = C(325) TO C(312) 
VIBR .0, 0.00500 = C(325) TO C(310) 
VIBR .0, 0.00200 = C(325) TO C(326) 
VIBR .0, 0.00500 = C(326) TO C(324) 
VIBR .0, 0.00500 = C(325) TO C(123,-1,1,1,0,1) 
VIBR .0, 0.00200 = C(327) TO C(329) 
VIBR .0, 0.00500 = C(307) TO C(305) 
VIBR .0, 0.00500 = C(329) TO C(305) 
VIBR .0, 0.00500 = C(329) TO C(307) 
VIBR .0, 0.00200 = C(328) TO C(343) 
VIBR .0, 0.00500 = C(315) TO C(317) 
VIBR .0, 0.00500 = C(343) TO C(317) 
VIBR .0, 0.00500 = C(343) TO C(315) 
VIBR .0, 0.00200 = C(329) TO C(330) 
VIBR .0, 0.00200 = C(329) TO C(334) 
VIBR .0, 0.00500 = C(330) TO C(327) 
VIBR .0, 0.00500 = C(334) TO C(327) 
VIBR .0, 0.00500 = C(334) TO C(330) 
VIBR .0, 0.00200 = C(330) TO C(331) 
VIBR .0, 0.00500 = C(331) TO C(329) 
VIBR .0, 0.00200 = C(331) TO C(332) 
VIBR .0, 0.00200 = C(331) TO C(335) 
VIBR .0, 0.00500 = C(332) TO C(330) 
VIBR .0, 0.00500 = C(335) TO C(330) 
VIBR .0, 0.00500 = C(335) TO C(332) 
VIBR .0, 0.00200 = C(332) TO C(333) 
VIBR .0, 0.00500 = C(333) TO C(331) 
VIBR .0, 0.00200 = C(333) TO C(334) 
VIBR .0, 0.00200 = C(333) TO C(339) 
VIBR .0, 0.00500 = C(334) TO C(332) 
VIBR .0, 0.00500 = C(339) TO C(332) 
VIBR .0, 0.00500 = C(339) TO C(334) 
VIBR .0, 0.00500 = C(333) TO C(329) 
VIBR .0, 0.00200 = C(335) TO C(336) 
VIBR .0, 0.00200 = C(335) TO C(337) 
VIBR .0, 0.00200 = C(335) TO C(338) 
VIBR .0, 0.00500 = C(336) TO C(331) 
VIBR .0, 0.00500 = C(337) TO C(331) 
VIBR .0, 0.00500 = C(337) TO C(336) 
VIBR .0, 0.00500 = C(338) TO C(331) 
VIBR .0, 0.00500 = C(338) TO C(336) 
VIBR .0, 0.00500 = C(338) TO C(337) 
VIBR .0, 0.00200 = C(339) TO C(340) 
VIBR .0, 0.00200 = C(339) TO C(341) 
VIBR .0, 0.00200 = C(339) TO C(342) 
VIBR .0, 0.00500 = C(340) TO C(333) 
VIBR .0, 0.00500 = C(341) TO C(333) 
VIBR .0, 0.00500 = C(341) TO C(340) 
VIBR .0, 0.00500 = C(342) TO C(333) 
VIBR .0, 0.00500 = C(342) TO C(340) 
VIBR .0, 0.00500 = C(342) TO C(341) 
VIBR .0, 0.00200 = C(343) TO C(344) 
VIBR .0, 0.00200 = C(343) TO C(348) 
VIBR .0, 0.00500 = C(344) TO C(328) 
VIBR .0, 0.00500 = C(348) TO C(328) 
VIBR .0, 0.00500 = C(348) TO C(344) 
VIBR .0, 0.00200 = C(344) TO C(345) 
VIBR .0, 0.00500 = C(345) TO C(343) 
VIBR .0, 0.00200 = C(345) TO C(346) 
VIBR .0, 0.00200 = C(345) TO C(349) 
VIBR .0, 0.00500 = C(346) TO C(344) 
VIBR .0, 0.00500 = C(349) TO C(344) 
VIBR .0, 0.00500 = C(349) TO C(346) 
VIBR .0, 0.00200 = C(346) TO C(347) 
VIBR .0, 0.00500 = C(347) TO C(345) 
VIBR .0, 0.00200 = C(347) TO C(348) 
VIBR .0, 0.00200 = C(347) TO C(353) 
VIBR .0, 0.00500 = C(348) TO C(346) 
VIBR .0, 0.00500 = C(353) TO C(346) 
VIBR .0, 0.00500 = C(353) TO C(348) 
VIBR .0, 0.00500 = C(347) TO C(343) 
VIBR .0, 0.00200 = C(349) TO C(350) 
VIBR .0, 0.00200 = C(349) TO C(351) 
VIBR .0, 0.00200 = C(349) TO C(352) 
VIBR .0, 0.00500 = C(350) TO C(345) 
VIBR .0, 0.00500 = C(351) TO C(345) 
VIBR .0, 0.00500 = C(351) TO C(350) 
VIBR .0, 0.00500 = C(352) TO C(345) 
VIBR .0, 0.00500 = C(352) TO C(350) 
VIBR .0, 0.00500 = C(352) TO C(351) 
VIBR .0, 0.00200 = C(349) TO C(380) 
VIBR .0, 0.00200 = C(349) TO C(381) 
VIBR .0, 0.00200 = C(349) TO C(382) 
VIBR .0, 0.00500 = C(380) TO C(345) 
VIBR .0, 0.00500 = C(381) TO C(345) 
VIBR .0, 0.00500 = C(381) TO C(380) 
VIBR .0, 0.00500 = C(382) TO C(345) 
VIBR .0, 0.00500 = C(382) TO C(380) 
VIBR .0, 0.00500 = C(382) TO C(381) 
VIBR .0, 0.00200 = C(353) TO C(354) 
VIBR .0, 0.00200 = C(353) TO C(355) 
VIBR .0, 0.00200 = C(353) TO C(356) 
VIBR .0, 0.00500 = C(354) TO C(347) 
VIBR .0, 0.00500 = C(355) TO C(347) 
VIBR .0, 0.00500 = C(355) TO C(354) 
VIBR .0, 0.00500 = C(356) TO C(347) 
VIBR .0, 0.00500 = C(356) TO C(354) 
VIBR .0, 0.00500 = C(356) TO C(355) 
VIBR .0, 0.00200 = C(353) TO C(384) 
VIBR .0, 0.00200 = C(353) TO C(385) 
VIBR .0, 0.00200 = C(353) TO C(386) 
VIBR .0, 0.00500 = C(384) TO C(347) 
VIBR .0, 0.00500 = C(385) TO C(347) 
VIBR .0, 0.00500 = C(385) TO C(384) 
VIBR .0, 0.00500 = C(386) TO C(347) 
VIBR .0, 0.00500 = C(386) TO C(384) 
VIBR .0, 0.00500 = C(386) TO C(385) 
VIBR .0, 0.00200 = N(401) TO C(402) 
VIBR .0, 0.00200 = N(401) TO C(406) 
VIBR .0, 0.00500 = C(402) TO ZN(100) 
VIBR .0, 0.00500 = C(406) TO ZN(100) 
VIBR .0, 0.00500 = C(406) TO C(402) 
VIBR .0, 0.00200 = C(402) TO C(403) 
VIBR .0, 0.00500 = C(403) TO N(401) 
VIBR .0, 0.00200 = C(403) TO C(404) 
VIBR .0, 0.00500 = C(404) TO C(402) 
VIBR .0, 0.00200 = C(404) TO C(405) 
VIBR .0, 0.00200 = C(404) TO C(407) 
VIBR .0, 0.00500 = C(405) TO C(403) 
VIBR .0, 0.00500 = C(407) TO C(403) 
VIBR .0, 0.00500 = C(407) TO C(405) 
VIBR .0, 0.00200 = C(405) TO C(406) 
VIBR .0, 0.00500 = C(406) TO C(404) 
VIBR .0, 0.00500 = N(401) TO C(405) 
VIBR .0, 0.00200 = C(407) TO C(408) 
VIBR .0, 0.00200 = C(407) TO C(412) 
VIBR .0, 0.00500 = C(408) TO C(404) 
VIBR .0, 0.00500 = C(412) TO C(404) 
VIBR .0, 0.00500 = C(412) TO C(408) 
VIBR .0, 0.00200 = C(407) TO C(414) 
VIBR .0, 0.00200 = C(407) TO C(417) 
VIBR .0, 0.00500 = C(414) TO C(404) 
VIBR .0, 0.00500 = C(417) TO C(404) 
VIBR .0, 0.00500 = C(417) TO C(414) 
VIBR .0, 0.00200 = C(408) TO C(409) 
VIBR .0, 0.00500 = C(409) TO C(407) 
VIBR .0, 0.00200 = C(409) TO C(410) 
VIBR .0, 0.00500 = C(410) TO C(408) 
VIBR .0, 0.00200 = C(410) TO C(411) 
VIBR .0, 0.00200 = C(410) TO C(413) 
VIBR .0, 0.00500 = C(411) TO C(409) 
VIBR .0, 0.00500 = C(413) TO C(409) 
VIBR .0, 0.00500 = C(413) TO C(411) 
VIBR .0, 0.00200 = C(410) TO C(413) 
VIBR .0, 0.00200 = C(410) TO C(415) 
VIBR .0, 0.00200 = C(410) TO C(416) 
VIBR .0, 0.00500 = C(415) TO C(413) 
VIBR .0, 0.00500 = C(416) TO C(413) 
VIBR .0, 0.00500 = C(416) TO C(415) 
VIBR .0, 0.00200 = C(411) TO C(412) 
VIBR .0, 0.00500 = C(412) TO C(410) 
VIBR .0, 0.00500 = C(407) TO C(411) 
VIBR .0, 0.00200 = C(413) TO C(613,-1,1,1,0,1) 
VIBR .0, 0.00200 = C(413) TO C(513) 
VIBR .0, 0.00500 = C(613,-1,1,1,0,1) TO C(410) 
VIBR .0, 0.00500 = C(513) TO C(410) 
VIBR .0, 0.00500 = C(513) TO C(613,-1,1,1,0,1) 
VIBR .0, 0.00200 = C(414) TO C(415) 
VIBR .0, 0.00500 = C(415) TO C(407) 
VIBR .0, 0.00500 = C(414) TO C(410) 
VIBR .0, 0.00200 = C(416) TO C(417) 
VIBR .0, 0.00500 = C(417) TO C(410) 
VIBR .0, 0.00500 = C(407) TO C(416) 
VIBR .0, 0.00200 = N(501) TO C(502) 
VIBR .0, 0.00200 = N(501) TO C(506) 
VIBR .0, 0.00500 = C(502) TO ZN(200) 
VIBR .0, 0.00500 = C(506) TO ZN(200) 
VIBR .0, 0.00500 = C(506) TO C(502) 
VIBR .0, 0.00200 = C(502) TO C(503) 
VIBR .0, 0.00500 = C(503) TO N(501) 
VIBR .0, 0.00200 = C(503) TO C(504) 
VIBR .0, 0.00500 = C(504) TO C(502) 
VIBR .0, 0.00200 = C(504) TO C(505) 
VIBR .0, 0.00200 = C(504) TO C(507) 
VIBR .0, 0.00500 = C(505) TO C(503) 
VIBR .0, 0.00500 = C(507) TO C(503) 
VIBR .0, 0.00500 = C(507) TO C(505) 
VIBR .0, 0.00200 = C(505) TO C(506) 
VIBR .0, 0.00500 = C(506) TO C(504) 
VIBR .0, 0.00500 = N(501) TO C(505) 
VIBR .0, 0.00200 = C(507) TO C(508) 
VIBR .0, 0.00200 = C(507) TO C(512) 
VIBR .0, 0.00500 = C(508) TO C(504) 
VIBR .0, 0.00500 = C(512) TO C(504) 
VIBR .0, 0.00500 = C(512) TO C(508) 
VIBR .0, 0.00200 = C(507) TO C(514) 
VIBR .0, 0.00200 = C(507) TO C(517) 
VIBR .0, 0.00500 = C(514) TO C(504) 
VIBR .0, 0.00500 = C(517) TO C(504) 
VIBR .0, 0.00500 = C(517) TO C(514) 
VIBR .0, 0.00200 = C(508) TO C(509) 
VIBR .0, 0.00500 = C(509) TO C(507) 
VIBR .0, 0.00200 = C(509) TO C(510) 
VIBR .0, 0.00500 = C(510) TO C(508) 
VIBR .0, 0.00200 = C(510) TO C(511) 
VIBR .0, 0.00200 = C(510) TO C(513) 
VIBR .0, 0.00500 = C(511) TO C(509) 
VIBR .0, 0.00500 = C(513) TO C(509) 
VIBR .0, 0.00500 = C(513) TO C(511) 
VIBR .0, 0.00200 = C(510) TO C(513) 
VIBR .0, 0.00200 = C(510) TO C(515) 
VIBR .0, 0.00200 = C(510) TO C(516) 
VIBR .0, 0.00500 = C(515) TO C(513) 
VIBR .0, 0.00500 = C(516) TO C(513) 
VIBR .0, 0.00500 = C(516) TO C(515) 
VIBR .0, 0.00200 = C(511) TO C(512) 
VIBR .0, 0.00500 = C(512) TO C(510) 
VIBR .0, 0.00500 = C(511) TO C(507) 
VIBR .0, 0.00200 = C(513) TO C(613) 
VIBR .0, 0.00500 = C(413) TO C(510) 
VIBR .0, 0.00500 = C(613) TO C(510) 
VIBR .0, 0.00500 = C(613) TO C(413) 
VIBR .0, 0.00200 = C(514) TO C(515) 
VIBR .0, 0.00500 = C(515) TO C(507) 
VIBR .0, 0.00500 = C(510) TO C(514) 
VIBR .0, 0.00200 = C(516) TO C(517) 
VIBR .0, 0.00500 = C(517) TO C(510) 
VIBR .0, 0.00500 = C(507) TO C(516) 
VIBR .0, 0.00200 = N(601) TO C(602) 
VIBR .0, 0.00200 = N(601) TO C(606) 
VIBR .0, 0.00500 = C(602) TO ZN(300) 
VIBR .0, 0.00500 = C(606) TO ZN(300) 
VIBR .0, 0.00500 = C(606) TO C(602) 
VIBR .0, 0.00200 = C(602) TO C(603) 
VIBR .0, 0.00500 = C(603) TO N(601) 
VIBR .0, 0.00200 = C(603) TO C(604) 
VIBR .0, 0.00500 = C(604) TO C(602) 
VIBR .0, 0.00200 = C(604) TO C(605) 
VIBR .0, 0.00200 = C(604) TO C(607) 
VIBR .0, 0.00500 = C(605) TO C(603) 
VIBR .0, 0.00500 = C(607) TO C(603) 
VIBR .0, 0.00500 = C(607) TO C(605) 
VIBR .0, 0.00200 = C(605) TO C(606) 
VIBR .0, 0.00500 = C(606) TO C(604) 
VIBR .0, 0.00500 = N(601) TO C(605) 
VIBR .0, 0.00200 = C(607) TO C(608) 
VIBR .0, 0.00200 = C(607) TO C(612) 
VIBR .0, 0.00500 = C(608) TO C(604) 
VIBR .0, 0.00500 = C(612) TO C(604) 
VIBR .0, 0.00500 = C(612) TO C(608) 
VIBR .0, 0.00200 = C(607) TO C(614) 
VIBR .0, 0.00200 = C(607) TO C(617) 
VIBR .0, 0.00500 = C(614) TO C(604) 
VIBR .0, 0.00500 = C(617) TO C(604) 
VIBR .0, 0.00500 = C(617) TO C(614) 
VIBR .0, 0.00200 = C(608) TO C(609) 
VIBR .0, 0.00500 = C(609) TO C(607) 
VIBR .0, 0.00200 = C(609) TO C(610) 
VIBR .0, 0.00500 = C(610) TO C(608) 
VIBR .0, 0.00200 = C(610) TO C(611) 
VIBR .0, 0.00200 = C(610) TO C(613) 
VIBR .0, 0.00500 = C(611) TO C(609) 
VIBR .0, 0.00500 = C(613) TO C(609) 
VIBR .0, 0.00500 = C(613) TO C(611) 
VIBR .0, 0.00200 = C(610) TO C(613) 
VIBR .0, 0.00200 = C(610) TO C(615) 
VIBR .0, 0.00200 = C(610) TO C(616) 
VIBR .0, 0.00500 = C(615) TO C(613) 
VIBR .0, 0.00500 = C(616) TO C(613) 
VIBR .0, 0.00500 = C(616) TO C(615) 
VIBR .0, 0.00200 = C(611) TO C(612) 
VIBR .0, 0.00500 = C(612) TO C(610) 
VIBR .0, 0.00500 = C(611) TO C(607) 
VIBR .0, 0.00500 = C(513) TO C(610) 
VIBR .0, 0.00500 = C(413,-1,1,1,0,1) TO C(610) 
VIBR .0, 0.00500 = C(413,-1,1,1,0,1) TO C(513) 
VIBR .0, 0.00200 = C(614) TO C(615) 
VIBR .0, 0.00500 = C(615) TO C(607) 
VIBR .0, 0.00500 = C(610) TO C(614) 
VIBR .0, 0.00200 = C(616) TO C(617) 
VIBR .0, 0.00500 = C(617) TO C(610) 
VIBR .0, 0.00500 = C(607) TO C(616) 
VIBR .0, 0.00200 = C(701) TO CL(702) 
VIBR .0, 0.00200 = C(701) TO CL(703) 
VIBR .0, 0.00200 = C(701) TO CL(704) 
VIBR .0, 0.00500 = CL(703) TO CL(702) 
VIBR .0, 0.00500 = CL(704) TO CL(702) 
VIBR .0, 0.00500 = CL(704) TO CL(703) 
VIBR .0, 0.00200 = C(705) TO CL(706) 
VIBR .0, 0.00200 = C(705) TO CL(707) 
VIBR .0, 0.00200 = C(705) TO CL(708) 
VIBR .0, 0.00500 = CL(707) TO CL(706) 
VIBR .0, 0.00500 = CL(708) TO CL(706) 
VIBR .0, 0.00500 = CL(708) TO CL(707) 
REM   DELU   END (DO NOT REMOVE THIS LINE) 
REM   THERMSIM   START (DO NOT REMOVE THIS LINE) 
U(IJ) .0, 0.04000 = ZN(100) TO N(101) 
U(IJ) .0, 0.04000 = ZN(100) TO N(106) 
U(IJ) .0, 0.04000 = ZN(100) TO N(111) 
U(IJ) .0, 0.04000 = ZN(100) TO N(116) 
U(IJ) .0, 0.04000 = ZN(100) TO N(401) 
U(IJ) .0, 0.04000 = N(101) TO C(102) 
U(IJ) .0, 0.04000 = N(101) TO C(105) 
U(IJ) .0, 0.04000 = C(102) TO C(103) 
U(IJ) .0, 0.04000 = C(102) TO C(121) 
U(IJ) .0, 0.04000 = C(103) TO C(104) 
U(IJ) .0, 0.04000 = C(104) TO C(105) 
U(IJ) .0, 0.04000 = C(105) TO C(127) 
U(IJ) .0, 0.04000 = N(106) TO C(107) 
U(IJ) .0, 0.04000 = N(106) TO C(258) 
U(IJ) .0, 0.04000 = C(107) TO C(108) 
U(IJ) .0, 0.04000 = C(107) TO C(127) 
U(IJ) .0, 0.04000 = C(108) TO C(109) 
U(IJ) .0, 0.04000 = C(109) TO C(258) 
U(IJ) .0, 0.04000 = N(111) TO C(112) 
U(IJ) .0, 0.04000 = N(111) TO C(115) 
U(IJ) .0, 0.04000 = C(112) TO C(113) 
U(IJ) .0, 0.04000 = C(112) TO C(259) 
U(IJ) .0, 0.04000 = C(113) TO C(114) 
U(IJ) .0, 0.04000 = C(114) TO C(115) 
U(IJ) .0, 0.04000 = C(115) TO C(128) 
U(IJ) .0, 0.04000 = N(116) TO C(117) 
U(IJ) .0, 0.04000 = N(116) TO C(120) 
U(IJ) .0, 0.04000 = C(117) TO C(118) 
U(IJ) .0, 0.04000 = C(117) TO C(128) 
U(IJ) .0, 0.04000 = C(118) TO C(119) 
U(IJ) .0, 0.04000 = C(119) TO C(120) 
U(IJ) .0, 0.04000 = C(120) TO C(121) 
U(IJ) .0, 0.04000 = C(121) TO C(122) 
U(IJ) .0, 0.04000 = C(122) TO C(123) 
U(IJ) .0, 0.04000 = C(123) TO C(326,-1,1,1,0,1) 
U(IJ) .0, 0.04000 = C(125) TO C(126) 
U(IJ) .0, 0.04000 = C(125) TO C(259) 
U(IJ) .0, 0.04000 = C(126) TO C(223) 
U(IJ) .0, 0.04000 = C(127) TO C(129) 
U(IJ) .0, 0.04000 = C(128) TO C(143) 
U(IJ) .0, 0.04000 = C(129) TO C(130) 
U(IJ) .0, 0.04000 = C(129) TO C(134) 
U(IJ) .0, 0.04000 = C(130) TO C(131) 
U(IJ) .0, 0.04000 = C(131) TO C(132) 
U(IJ) .0, 0.04000 = C(131) TO C(135) 
U(IJ) .0, 0.04000 = C(132) TO C(133) 
U(IJ) .0, 0.04000 = C(133) TO C(134) 
U(IJ) .0, 0.04000 = C(133) TO C(139) 
U(IJ) .0, 0.08000 = C(135) TO C(136) 
U(IJ) .0, 0.08000 = C(135) TO C(137) 
U(IJ) .0, 0.08000 = C(135) TO C(138) 
U(IJ) .0, 0.08000 = C(135) TO C(166) 
U(IJ) .0, 0.08000 = C(135) TO C(167) 
U(IJ) .0, 0.08000 = C(135) TO C(168) 
U(IJ) .0, 0.08000 = C(139) TO C(140) 
U(IJ) .0, 0.08000 = C(139) TO C(141) 
U(IJ) .0, 0.08000 = C(139) TO C(142) 
U(IJ) .0, 0.08000 = C(139) TO C(170) 
U(IJ) .0, 0.08000 = C(139) TO C(171) 
U(IJ) .0, 0.08000 = C(139) TO C(172) 
U(IJ) .0, 0.04000 = C(143) TO C(144) 
U(IJ) .0, 0.04000 = C(143) TO C(148) 
U(IJ) .0, 0.04000 = C(144) TO C(145) 
U(IJ) .0, 0.04000 = C(145) TO C(146) 
U(IJ) .0, 0.04000 = C(145) TO C(149) 
U(IJ) .0, 0.04000 = C(146) TO C(147) 
U(IJ) .0, 0.04000 = C(147) TO C(148) 
U(IJ) .0, 0.04000 = C(147) TO C(153) 
U(IJ) .0, 0.08000 = C(149) TO C(150) 
U(IJ) .0, 0.08000 = C(149) TO C(151) 
U(IJ) .0, 0.08000 = C(149) TO C(152) 
U(IJ) .0, 0.08000 = C(153) TO C(154) 
U(IJ) .0, 0.08000 = C(153) TO C(155) 
U(IJ) .0, 0.08000 = C(153) TO C(156) 
U(IJ) .0, 0.04000 = ZN(200) TO N(201) 
U(IJ) .0, 0.04000 = ZN(200) TO N(206) 
U(IJ) .0, 0.04000 = ZN(200) TO N(211) 
U(IJ) .0, 0.04000 = ZN(200) TO N(216) 
U(IJ) .0, 0.04000 = ZN(200) TO N(501) 
U(IJ) .0, 0.04000 = N(201) TO C(202) 
U(IJ) .0, 0.04000 = N(201) TO C(205) 
U(IJ) .0, 0.04000 = C(202) TO C(203) 
U(IJ) .0, 0.04000 = C(202) TO C(221) 
U(IJ) .0, 0.04000 = C(203) TO C(204) 
U(IJ) .0, 0.04000 = C(204) TO C(205) 
U(IJ) .0, 0.04000 = C(205) TO C(227) 
U(IJ) .0, 0.04000 = N(206) TO C(207) 
U(IJ) .0, 0.04000 = N(206) TO C(257) 
U(IJ) .0, 0.04000 = C(207) TO C(208) 
U(IJ) .0, 0.04000 = C(207) TO C(227) 
U(IJ) .0, 0.04000 = C(208) TO C(209) 
U(IJ) .0, 0.04000 = C(209) TO C(257) 
U(IJ) .0, 0.04000 = N(211) TO C(212) 
U(IJ) .0, 0.04000 = N(211) TO C(215) 
U(IJ) .0, 0.04000 = C(212) TO C(213) 
U(IJ) .0, 0.04000 = C(212) TO C(224) 
U(IJ) .0, 0.04000 = C(213) TO C(214) 
U(IJ) .0, 0.04000 = C(214) TO C(215) 
U(IJ) .0, 0.04000 = C(215) TO C(228) 
U(IJ) .0, 0.04000 = N(216) TO C(217) 
U(IJ) .0, 0.04000 = N(216) TO C(220) 
U(IJ) .0, 0.04000 = C(217) TO C(218) 
U(IJ) .0, 0.04000 = C(217) TO C(228) 
U(IJ) .0, 0.04000 = C(218) TO C(219) 
U(IJ) .0, 0.04000 = C(219) TO C(220) 
U(IJ) .0, 0.04000 = C(220) TO C(221) 
U(IJ) .0, 0.04000 = C(221) TO C(222) 
U(IJ) .0, 0.04000 = C(222) TO C(223) 
U(IJ) .0, 0.04000 = C(224) TO C(225) 
U(IJ) .0, 0.04000 = C(224) TO C(257) 
U(IJ) .0, 0.04000 = C(225) TO C(226) 
U(IJ) .0, 0.04000 = C(226) TO C(323) 
U(IJ) .0, 0.04000 = C(227) TO C(229) 
U(IJ) .0, 0.04000 = C(228) TO C(243) 
U(IJ) .0, 0.04000 = C(229) TO C(230) 
U(IJ) .0, 0.04000 = C(229) TO C(234) 
U(IJ) .0, 0.04000 = C(230) TO C(231) 
U(IJ) .0, 0.04000 = C(231) TO C(232) 
U(IJ) .0, 0.04000 = C(231) TO C(235) 
U(IJ) .0, 0.04000 = C(232) TO C(233) 
U(IJ) .0, 0.04000 = C(233) TO C(234) 
U(IJ) .0, 0.04000 = C(233) TO C(239) 
U(IJ) .0, 0.08000 = C(235) TO C(236) 
U(IJ) .0, 0.08000 = C(235) TO C(237) 
U(IJ) .0, 0.08000 = C(235) TO C(238) 
U(IJ) .0, 0.08000 = C(235) TO C(266) 
U(IJ) .0, 0.08000 = C(235) TO C(267) 
U(IJ) .0, 0.08000 = C(235) TO C(268) 
U(IJ) .0, 0.08000 = C(239) TO C(240) 
U(IJ) .0, 0.08000 = C(239) TO C(241) 
U(IJ) .0, 0.08000 = C(239) TO C(242) 
U(IJ) .0, 0.08000 = C(239) TO C(270) 
U(IJ) .0, 0.08000 = C(239) TO C(271) 
U(IJ) .0, 0.08000 = C(239) TO C(272) 
U(IJ) .0, 0.04000 = C(243) TO C(244) 
U(IJ) .0, 0.04000 = C(243) TO C(248) 
U(IJ) .0, 0.04000 = C(244) TO C(245) 
U(IJ) .0, 0.04000 = C(245) TO C(246) 
U(IJ) .0, 0.04000 = C(245) TO C(249) 
U(IJ) .0, 0.04000 = C(246) TO C(247) 
U(IJ) .0, 0.04000 = C(247) TO C(248) 
U(IJ) .0, 0.04000 = C(247) TO C(253) 
U(IJ) .0, 0.08000 = C(249) TO C(250) 
U(IJ) .0, 0.08000 = C(249) TO C(251) 
U(IJ) .0, 0.08000 = C(249) TO C(252) 
U(IJ) .0, 0.08000 = C(249) TO C(280) 
U(IJ) .0, 0.08000 = C(249) TO C(281) 
U(IJ) .0, 0.08000 = C(249) TO C(282) 
U(IJ) .0, 0.08000 = C(253) TO C(254) 
U(IJ) .0, 0.08000 = C(253) TO C(255) 
U(IJ) .0, 0.08000 = C(253) TO C(256) 
U(IJ) .0, 0.08000 = C(253) TO C(284) 
U(IJ) .0, 0.08000 = C(253) TO C(285) 
U(IJ) .0, 0.08000 = C(253) TO C(286) 
U(IJ) .0, 0.04000 = C(258) TO C(259) 
U(IJ) .0, 0.04000 = ZN(300) TO N(301) 
U(IJ) .0, 0.04000 = ZN(300) TO N(306) 
U(IJ) .0, 0.04000 = ZN(300) TO N(311) 
U(IJ) .0, 0.04000 = ZN(300) TO N(316) 
U(IJ) .0, 0.04000 = ZN(300) TO N(601) 
U(IJ) .0, 0.04000 = N(301) TO C(302) 
U(IJ) .0, 0.04000 = N(301) TO C(305) 
U(IJ) .0, 0.04000 = C(302) TO C(303) 
U(IJ) .0, 0.04000 = C(302) TO C(321) 
U(IJ) .0, 0.04000 = C(303) TO C(304) 
U(IJ) .0, 0.04000 = C(304) TO C(305) 
U(IJ) .0, 0.04000 = C(305) TO C(327) 
U(IJ) .0, 0.04000 = N(306) TO C(307) 
U(IJ) .0, 0.04000 = N(306) TO C(310) 
U(IJ) .0, 0.04000 = C(307) TO C(308) 
U(IJ) .0, 0.04000 = C(307) TO C(327) 
U(IJ) .0, 0.04000 = C(308) TO C(309) 
U(IJ) .0, 0.04000 = C(309) TO C(310) 
U(IJ) .0, 0.04000 = C(310) TO C(324) 
U(IJ) .0, 0.04000 = N(311) TO C(312) 
U(IJ) .0, 0.04000 = N(311) TO C(315) 
U(IJ) .0, 0.04000 = C(312) TO C(313) 
U(IJ) .0, 0.04000 = C(312) TO C(324) 
U(IJ) .0, 0.04000 = C(313) TO C(314) 
U(IJ) .0, 0.04000 = C(314) TO C(315) 
U(IJ) .0, 0.04000 = C(315) TO C(328) 
U(IJ) .0, 0.04000 = N(316) TO C(317) 
U(IJ) .0, 0.04000 = N(316) TO C(320) 
U(IJ) .0, 0.04000 = C(317) TO C(318) 
U(IJ) .0, 0.04000 = C(317) TO C(328) 
U(IJ) .0, 0.04000 = C(318) TO C(319) 
U(IJ) .0, 0.04000 = C(319) TO C(320) 
U(IJ) .0, 0.04000 = C(320) TO C(321) 
U(IJ) .0, 0.04000 = C(321) TO C(322) 
U(IJ) .0, 0.04000 = C(322) TO C(323) 
U(IJ) .0, 0.04000 = C(324) TO C(325) 
U(IJ) .0, 0.04000 = C(325) TO C(326) 
U(IJ) .0, 0.04000 = C(327) TO C(329) 
U(IJ) .0, 0.04000 = C(328) TO C(343) 
U(IJ) .0, 0.04000 = C(329) TO C(330) 
U(IJ) .0, 0.04000 = C(329) TO C(334) 
U(IJ) .0, 0.04000 = C(330) TO C(331) 
U(IJ) .0, 0.04000 = C(331) TO C(332) 
U(IJ) .0, 0.04000 = C(331) TO C(335) 
U(IJ) .0, 0.04000 = C(332) TO C(333) 
U(IJ) .0, 0.04000 = C(333) TO C(334) 
U(IJ) .0, 0.04000 = C(333) TO C(339) 
U(IJ) .0, 0.08000 = C(335) TO C(336) 
U(IJ) .0, 0.08000 = C(335) TO C(337) 
U(IJ) .0, 0.08000 = C(335) TO C(338) 
U(IJ) .0, 0.08000 = C(339) TO C(340) 
U(IJ) .0, 0.08000 = C(339) TO C(341) 
U(IJ) .0, 0.08000 = C(339) TO C(342) 
U(IJ) .0, 0.04000 = C(343) TO C(344) 
U(IJ) .0, 0.04000 = C(343) TO C(348) 
U(IJ) .0, 0.04000 = C(344) TO C(345) 
U(IJ) .0, 0.04000 = C(345) TO C(346) 
U(IJ) .0, 0.04000 = C(345) TO C(349) 
U(IJ) .0, 0.04000 = C(346) TO C(347) 
U(IJ) .0, 0.04000 = C(347) TO C(348) 
U(IJ) .0, 0.04000 = C(347) TO C(353) 
U(IJ) .0, 0.08000 = C(349) TO C(350) 
U(IJ) .0, 0.08000 = C(349) TO C(351) 
U(IJ) .0, 0.08000 = C(349) TO C(352) 
U(IJ) .0, 0.08000 = C(349) TO C(380) 
U(IJ) .0, 0.08000 = C(349) TO C(381) 
U(IJ) .0, 0.08000 = C(349) TO C(382) 
U(IJ) .0, 0.08000 = C(353) TO C(354) 
U(IJ) .0, 0.08000 = C(353) TO C(355) 
U(IJ) .0, 0.08000 = C(353) TO C(356) 
U(IJ) .0, 0.08000 = C(353) TO C(384) 
U(IJ) .0, 0.08000 = C(353) TO C(385) 
U(IJ) .0, 0.08000 = C(353) TO C(386) 
U(IJ) .0, 0.04000 = N(401) TO C(402) 
U(IJ) .0, 0.04000 = N(401) TO C(406) 
U(IJ) .0, 0.04000 = C(402) TO C(403) 
U(IJ) .0, 0.04000 = C(403) TO C(404) 
U(IJ) .0, 0.04000 = C(404) TO C(405) 
U(IJ) .0, 0.04000 = C(404) TO C(407) 
U(IJ) .0, 0.04000 = C(405) TO C(406) 
U(IJ) .0, 0.04000 = C(407) TO C(408) 
U(IJ) .0, 0.04000 = C(407) TO C(412) 
U(IJ) .0, 0.04000 = C(407) TO C(414) 
U(IJ) .0, 0.04000 = C(407) TO C(417) 
U(IJ) .0, 0.04000 = C(408) TO C(409) 
U(IJ) .0, 0.04000 = C(409) TO C(410) 
U(IJ) .0, 0.04000 = C(410) TO C(411) 
U(IJ) .0, 0.04000 = C(410) TO C(413) 
U(IJ) .0, 0.04000 = C(410) TO C(413) 
U(IJ) .0, 0.04000 = C(410) TO C(415) 
U(IJ) .0, 0.04000 = C(410) TO C(416) 
U(IJ) .0, 0.04000 = C(411) TO C(412) 
U(IJ) .0, 0.04000 = C(413) TO C(613,-1,1,1,0,1) 
U(IJ) .0, 0.04000 = C(413) TO C(513) 
U(IJ) .0, 0.04000 = C(414) TO C(415) 
U(IJ) .0, 0.04000 = C(416) TO C(417) 
U(IJ) .0, 0.04000 = N(501) TO C(502) 
U(IJ) .0, 0.04000 = N(501) TO C(506) 
U(IJ) .0, 0.04000 = C(502) TO C(503) 
U(IJ) .0, 0.04000 = C(503) TO C(504) 
U(IJ) .0, 0.04000 = C(504) TO C(505) 
U(IJ) .0, 0.04000 = C(504) TO C(507) 
U(IJ) .0, 0.04000 = C(505) TO C(506) 
U(IJ) .0, 0.04000 = C(507) TO C(508) 
U(IJ) .0, 0.04000 = C(507) TO C(512) 
U(IJ) .0, 0.04000 = C(507) TO C(514) 
U(IJ) .0, 0.04000 = C(507) TO C(517) 
U(IJ) .0, 0.04000 = C(508) TO C(509) 
U(IJ) .0, 0.04000 = C(509) TO C(510) 
U(IJ) .0, 0.04000 = C(510) TO C(511) 
U(IJ) .0, 0.04000 = C(510) TO C(513) 
U(IJ) .0, 0.04000 = C(510) TO C(513) 
U(IJ) .0, 0.04000 = C(510) TO C(515) 
U(IJ) .0, 0.04000 = C(510) TO C(516) 
U(IJ) .0, 0.04000 = C(511) TO C(512) 
U(IJ) .0, 0.04000 = C(513) TO C(613) 
U(IJ) .0, 0.04000 = C(514) TO C(515) 
U(IJ) .0, 0.04000 = C(516) TO C(517) 
U(IJ) .0, 0.04000 = N(601) TO C(602) 
U(IJ) .0, 0.04000 = N(601) TO C(606) 
U(IJ) .0, 0.04000 = C(602) TO C(603) 
U(IJ) .0, 0.04000 = C(603) TO C(604) 
U(IJ) .0, 0.04000 = C(604) TO C(605) 
U(IJ) .0, 0.04000 = C(604) TO C(607) 
U(IJ) .0, 0.04000 = C(605) TO C(606) 
U(IJ) .0, 0.04000 = C(607) TO C(608) 
U(IJ) .0, 0.04000 = C(607) TO C(612) 
U(IJ) .0, 0.04000 = C(607) TO C(614) 
U(IJ) .0, 0.04000 = C(607) TO C(617) 
U(IJ) .0, 0.04000 = C(608) TO C(609) 
U(IJ) .0, 0.04000 = C(609) TO C(610) 
U(IJ) .0, 0.04000 = C(610) TO C(611) 
U(IJ) .0, 0.04000 = C(610) TO C(613) 
U(IJ) .0, 0.04000 = C(610) TO C(613) 
U(IJ) .0, 0.04000 = C(610) TO C(615) 
U(IJ) .0, 0.04000 = C(610) TO C(616) 
U(IJ) .0, 0.04000 = C(611) TO C(612) 
U(IJ) .0, 0.04000 = C(614) TO C(615) 
U(IJ) .0, 0.04000 = C(616) TO C(617) 
U(IJ) .0, 0.08000 = C(701) TO CL(702) 
U(IJ) .0, 0.08000 = C(701) TO CL(703) 
U(IJ) .0, 0.08000 = C(701) TO CL(704) 
U(IJ) .0, 0.08000 = C(705) TO CL(706) 
U(IJ) .0, 0.08000 = C(705) TO CL(707) 
U(IJ) .0, 0.08000 = C(705) TO CL(708) 
REM   THERMSIM   END (DO NOT REMOVE THIS LINE) 
RESTRAIN 0,0.01 = C(170,U[12]) - C(170,U[13]) 
RESTRAIN 0,0.01 = C(170,U[12]) - C(170,U[23]) 
RESTRAIN 0,0.01 = C(170,U[23]) - C(170,U[13]) 
RESTRAIN 0,0.01 = C(170,U[11]) - C(170,U[22]) 
RESTRAIN 0,0.01 = C(170,U[11]) - C(170,U[22]) 
RESTRAIN 0,0.01 = C(170,U[22]) - C(170,U[33]) 
RESTRAIN 0,0.01 = C(171,U[12]) - C(171,U[13]) 
RESTRAIN 0,0.01 = C(171,U[12]) - C(171,U[23]) 
RESTRAIN 0,0.01 = C(171,U[23]) - C(171,U[13]) 
RESTRAIN 0,0.01 = C(171,U[11]) - C(171,U[22]) 
RESTRAIN 0,0.01 = C(171,U[11]) - C(171,U[22]) 
RESTRAIN 0,0.01 = C(171,U[22]) - C(171,U[33]) 
RESTRAIN 0,0.01 = C(172,U[12]) - C(171,U[13]) 
RESTRAIN 0,0.01 = C(172,U[12]) - C(172,U[23]) 
RESTRAIN 0,0.01 = C(172,U[23]) - C(172,U[13]) 
RESTRAIN 0,0.01 = C(172,U[11]) - C(172,U[22]) 
RESTRAIN 0,0.01 = C(172,U[11]) - C(172,U[22]) 
RESTRAIN 0,0.01 = C(172,U[22]) - C(172,U[33]) 
RESTRAIN 0,0.01 = C(511,U[12]) - C(511,U[13]) 
RESTRAIN 0,0.01 = C(511,U[12]) - C(511,U[23]) 
RESTRAIN 0,0.01 = C(511,U[23]) - C(511,U[13]) 
RESTRAIN 0,0.01 = C(511,U[11]) - C(511,U[22]) 
RESTRAIN 0,0.01 = C(511,U[11]) - C(511,U[22]) 
RESTRAIN 0,0.01 = C(511,U[22]) - C(511,U[33]) 
RESTRAIN 0,0.01 = C(512,U[12]) - C(512,U[13]) 
RESTRAIN 0,0.01 = C(512,U[12]) - C(512,U[23]) 
RESTRAIN 0,0.01 = C(512,U[23]) - C(512,U[13]) 
RESTRAIN 0,0.01 = C(512,U[11]) - C(512,U[22]) 
RESTRAIN 0,0.01 = C(512,U[11]) - C(512,U[22]) 
RESTRAIN 0,0.01 = C(512,U[22]) - C(512,U[33]) 
RESTRAIN 0,0.01 = C(701,U[12]) - C(701,U[13]) 
RESTRAIN 0,0.01 = C(701,U[12]) - C(701,U[23]) 
RESTRAIN 0,0.01 = C(701,U[23]) - C(701,U[13]) 
RESTRAIN 0,0.01 = C(701,U[11]) - C(701,U[22]) 
RESTRAIN 0,0.01 = C(701,U[11]) - C(701,U[22]) 
RESTRAIN 0,0.01 = C(701,U[22]) - C(701,U[33]) 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,-z
-x+1/2,-y+1/2,z
x,-y+1/2,z+1/2
-x,y+1/2,-z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn100 Zn 0.546598(15) -0.37984(4) 0.27588(3) 0.0676 1.0000 Uani . U . . .
N101 N 0.57441(10) -0.3454(3) 0.2486(2) 0.0680 1.0000 Uani . U . . .
C102 C 0.59588(12) -0.3448(3) 0.2669(2) 0.0605 1.0000 Uani . U . . .
C103 C 0.61003(14) -0.3073(3) 0.2427(3) 0.0706 1.0000 Uani . U . . .
C104 C 0.59748(13) -0.2848(3) 0.2108(3) 0.0671 1.0000 Uani . U . . .
C105 C 0.57456(13) -0.3094(4) 0.2154(3) 0.0681 1.0000 Uani . U . . .
N106 N 0.52812(10) -0.3534(3) 0.2239(2) 0.0706 1.0000 Uani . U . . .
C107 C 0.53475(13) -0.3148(3) 0.1949(3) 0.0709 1.0000 Uani . U . . .
C108 C 0.51482(13) -0.2957(4) 0.1716(3) 0.0807 1.0000 Uani . U . . .
C109 C 0.49655(14) -0.3224(3) 0.1876(3) 0.0725 1.0000 Uani . U . . .
N111 N 0.52057(10) -0.4308(3) 0.2928(2) 0.0722 1.0000 Uani . U . . .
C112 C 0.49843(12) -0.4252(3) 0.2799(3) 0.0599 1.0000 Uani . U . . .
C113 C 0.48419(14) -0.4582(4) 0.3043(3) 0.0790 1.0000 Uani . U . . .
C114 C 0.49718(14) -0.4838(4) 0.3348(3) 0.0864 1.0000 Uani . U . . .
C115 C 0.52017(13) -0.4641(3) 0.3266(3) 0.0706 1.0000 Uani . U . . .
N116 N 0.56713(10) -0.4212(3) 0.3168(2) 0.0749 1.0000 Uani . U . . .
C117 C 0.56074(14) -0.4576(4) 0.3471(3) 0.0814 1.0000 Uani . U . . .
C118 C 0.58003(14) -0.4722(4) 0.3750(3) 0.0930 1.0000 Uani . U . . .
C119 C 0.59738(15) -0.4413(4) 0.3600(3) 0.0954 1.0000 Uani . U . . .
C120 C 0.58985(13) -0.4110(4) 0.3256(3) 0.0731 1.0000 Uani . U . . .
C121 C 0.60290(13) -0.3738(3) 0.3021(3) 0.0585 1.0000 Uani . U . . .
C122 C 0.62433(13) -0.3623(3) 0.3185(3) 0.0650 1.0000 Uani . U . . .
C123 C 0.64144(13) -0.3449(3) 0.3356(3) 0.0674 1.0000 Uani . U . . .
C125 C 0.46747(14) -0.3856(3) 0.2419(3) 0.0661 1.0000 Uani . U . . .
C126 C 0.44738(14) -0.3785(3) 0.2439(3) 0.0739 1.0000 Uani . U . . .
C127 C 0.55626(13) -0.2936(3) 0.1904(3) 0.0662 1.0000 Uani . U . . .
C128 C 0.53882(13) -0.4792(3) 0.3532(3) 0.0722 1.0000 Uani . U . . .
C129 C 0.56013(13) -0.2499(3) 0.1566(3) 0.0690 1.0000 Uani . U . . .
C130 C 0.56074(13) -0.2599(4) 0.1142(3) 0.0727 1.0000 Uani . U . . .
C131 C 0.56578(13) -0.2196(3) 0.0834(2) 0.0778 1.0000 Uani D U . . .
C132 C 0.57029(15) -0.1685(4) 0.1002(3) 0.0860 1.0000 Uani . U . . .
C133 C 0.56987(13) -0.1572(3) 0.1438(3) 0.0799 1.0000 Uani D U . . .
C134 C 0.56447(14) -0.1990(3) 0.1734(3) 0.0774 1.0000 Uani . U . . .
C135 C 0.56708(15) -0.2313(3) 0.03463(19) 0.1049 1.0000 Uani D U . . .
C136 C 0.5611(4) -0.1807(5) 0.0096(3) 0.1327 0.557(19) Uani D U P 4 1
C137 C 0.5505(4) -0.2741(7) 0.0224(4) 0.2157 0.557(19) Uani D U P 4 1
C138 C 0.5911(3) -0.2481(10) 0.0225(4) 0.2155 0.557(19) Uani D U P 4 1
C139 C 0.57582(11) -0.1004(2) 0.1589(2) 0.0924 1.0000 Uani D U . . .
C140 C 0.5895(3) -0.0725(4) 0.1236(4) 0.1740 0.813(12) Uani D U P 4 3
C141 C 0.55496(18) -0.0691(4) 0.1668(6) 0.2036 0.813(12) Uani D U P 4 3
C142 C 0.5902(2) -0.1031(4) 0.2000(4) 0.1362 0.813(12) Uani D U P 4 3
C143 C 0.53521(13) -0.5163(3) 0.3912(3) 0.0692 1.0000 Uani . U . . .
C144 C 0.52764(13) -0.5681(3) 0.3829(3) 0.0726 1.0000 Uani . U . . .
C145 C 0.52534(11) -0.6039(3) 0.4171(3) 0.0737 1.0000 Uani D U . . .
C146 C 0.52995(13) -0.5848(4) 0.4581(3) 0.0780 1.0000 Uani . U . . .
C147 C 0.53712(11) -0.5325(3) 0.4673(2) 0.0733 1.0000 Uani D U . . .
C148 C 0.53951(13) -0.4997(3) 0.4320(3) 0.0666 1.0000 Uani . U . . .
C149 C 0.51531(8) -0.65966(19) 0.40809(19) 0.0949 1.0000 Uani D U . . .
C150 C 0.52885(13) -0.6864(3) 0.3717(3) 0.1171 1.0000 Uani D U . . .
C151 C 0.51683(16) -0.6939(3) 0.4475(3) 0.1369 1.0000 Uani D U . . .
C152 C 0.49057(11) -0.6543(3) 0.3935(3) 0.1084 1.0000 Uani D U . . .
C153 C 0.54293(8) -0.5168(2) 0.51374(16) 0.0819 1.0000 Uani D U . . .
C154 C 0.56420(12) -0.5466(3) 0.5278(2) 0.1061 1.0000 Uani D U . . .
C155 C 0.52402(13) -0.5318(4) 0.5437(2) 0.1242 1.0000 Uani D U . . .
C156 C 0.54754(16) -0.4565(3) 0.5162(3) 0.1398 1.0000 Uani D U . . .
C166 C 0.5448(3) -0.2152(8) 0.0134(4) 0.1565 0.443(19) Uani D U P 4 2
C167 C 0.5708(3) -0.2897(4) 0.0269(3) 0.0727 0.443(19) Uani D U P 4 2
C168 C 0.5863(4) -0.1985(7) 0.0142(4) 0.1964 0.443(19) Uani D U P 4 2
C170 C 0.6012(2) -0.0913(7) 0.1533(12) 0.1000 0.187(12) Uani D U P 4 4
C171 C 0.5635(5) -0.0599(4) 0.1324(9) 0.0978 0.187(12) Uani D U P 4 4
C172 C 0.5699(7) -0.0940(7) 0.2068(5) 0.1015 0.187(12) Uani D U P 4 4
Zn200 Zn 0.348769(15) -0.26705(4) 0.34592(4) 0.0735 1.0000 Uani . U . . .
N201 N 0.35644(11) -0.2675(3) 0.2816(2) 0.0758 1.0000 Uani . U . . .
C202 C 0.37368(14) -0.2944(3) 0.2622(3) 0.0729 1.0000 Uani . U . . .
C203 C 0.37718(16) -0.2783(4) 0.2180(3) 0.0913 1.0000 Uani . U . . .
C204 C 0.36110(14) -0.2396(4) 0.2093(3) 0.0890 1.0000 Uani . U . . .
C205 C 0.34905(14) -0.2334(3) 0.2502(3) 0.0755 1.0000 Uani . U . . .
N206 N 0.32388(10) -0.2118(3) 0.3324(3) 0.0736 1.0000 Uani . U . . .
C207 C 0.32021(14) -0.1849(3) 0.2947(3) 0.0756 1.0000 Uani . U . . .
C208 C 0.30212(14) -0.1465(4) 0.2995(4) 0.0884 1.0000 Uani . U . . .
C209 C 0.29657(17) -0.1486(4) 0.3427(4) 0.1000 1.0000 Uani . U . . .
N211 N 0.33384(10) -0.2811(3) 0.4049(2) 0.0688 1.0000 Uani . U . . .
C212 C 0.31902(14) -0.2483(4) 0.4269(3) 0.0773 1.0000 Uani . U . . .
C213 C 0.31600(14) -0.2646(3) 0.4691(3) 0.0730 1.0000 Uani . U . . .
C214 C 0.32858(14) -0.3095(4) 0.4753(3) 0.0820 1.0000 Uani . U . . .
C215 C 0.34034(14) -0.3178(3) 0.4340(3) 0.0740 1.0000 Uani . U . . .
N216 N 0.36681(10) -0.3371(3) 0.3534(2) 0.0717 1.0000 Uani . U . . .
C217 C 0.36937(13) -0.3659(4) 0.3913(3) 0.0758 1.0000 Uani . U . . .
C218 C 0.38791(14) -0.4041(4) 0.3854(3) 0.0765 1.0000 Uani . U . . .
C219 C 0.39618(15) -0.3966(4) 0.3462(3) 0.0831 1.0000 Uani . U . . .
C220 C 0.38343(13) -0.3553(3) 0.3243(3) 0.0743 1.0000 Uani . U . . .
C221 C 0.38628(14) -0.3341(4) 0.2841(3) 0.0754 1.0000 Uani . U . . .
C222 C 0.40660(14) -0.3534(4) 0.2620(3) 0.0799 1.0000 Uani . U . . .
C223 C 0.42501(14) -0.3660(4) 0.2507(3) 0.0737 1.0000 Uani . U . . .
C224 C 0.30830(13) -0.2036(3) 0.4063(3) 0.0736 1.0000 Uani . U . . .
C225 C 0.29724(14) -0.1667(3) 0.4347(3) 0.0804 1.0000 Uani . U . . .
C226 C 0.28949(14) -0.1314(4) 0.4561(3) 0.0777 1.0000 Uani . U . . .
C227 C 0.33134(14) -0.1947(3) 0.2566(3) 0.0771 1.0000 Uani . U . . .
C228 C 0.35683(14) -0.3576(4) 0.4297(3) 0.0773 1.0000 Uani . U . . .
C229 C 0.32531(15) -0.1599(4) 0.2200(3) 0.0857 1.0000 Uani . U . . .
C230 C 0.31152(17) -0.1780(4) 0.1862(3) 0.0988 1.0000 Uani . U . . .
C231 C 0.30424(15) -0.1461(4) 0.1531(3) 0.1125 1.0000 Uani D U . . .
C232 C 0.31132(18) -0.0926(5) 0.1543(5) 0.1243 1.0000 Uani . U . . .
C233 C 0.32534(15) -0.0720(3) 0.1850(4) 0.1078 1.0000 Uani D U . . .
C234 C 0.33228(17) -0.1064(4) 0.2194(4) 0.0991 1.0000 Uani . U . . .
C235 C 0.28839(16) -0.1653(4) 0.1172(3) 0.1492 1.0000 Uani D U . . .
C236 C 0.2701(4) -0.1232(9) 0.1095(9) 0.1556 0.50(3) Uani D U P 5 1
C237 C 0.2771(5) -0.2165(9) 0.1299(7) 0.1997 0.50(3) Uani D U P 5 1
C238 C 0.3017(3) -0.1728(15) 0.0754(5) 0.1612 0.50(3) Uani D U P 5 1
C239 C 0.33272(16) -0.0130(3) 0.1842(3) 0.1424 1.0000 Uani D U . . .
C240 C 0.3491(4) -0.0042(6) 0.1463(7) 0.3241 0.48(2) Uani D U P 5 3
C241 C 0.3128(3) 0.0224(4) 0.1781(9) 0.1633 0.48(2) Uani D U P 5 3
C242 C 0.3450(5) 0.0010(5) 0.2265(6) 0.1653 0.48(2) Uani D U P 5 3
C243 C 0.36322(13) -0.3905(4) 0.4682(3) 0.0728 1.0000 Uani . U . . .
C244 C 0.36049(14) -0.4447(4) 0.4684(3) 0.0760 1.0000 Uani . U . . .
C245 C 0.36642(13) -0.4745(3) 0.5048(3) 0.0797 1.0000 Uani D U . . .
C246 C 0.37655(14) -0.4495(3) 0.5402(3) 0.0770 1.0000 Uani . U . . .
C247 C 0.37977(13) -0.3945(3) 0.5399(3) 0.0833 1.0000 Uani D U . . .
C248 C 0.37334(13) -0.3648(3) 0.5043(3) 0.0764 1.0000 Uani . U . . .
C249 C 0.36385(13) -0.5357(2) 0.5027(3) 0.1074 1.0000 Uani D U . . .
C250 C 0.3406(3) -0.5512(5) 0.5202(10) 0.1931 0.348(18) Uani D U P 5 5
C251 C 0.3814(4) -0.5620(4) 0.5295(9) 0.0989 0.348(18) Uani D U P 5 5
C252 C 0.3656(6) -0.5545(5) 0.4557(4) 0.2301 0.348(18) Uani D U P 5 5
C253 C 0.39027(11) -0.3647(2) 0.5786(2) 0.0885 1.0000 Uani D U . . .
C254 C 0.3815(2) -0.3897(6) 0.6209(3) 0.1039 0.455(17) Uani D U P 5 7
C255 C 0.41505(16) -0.3695(5) 0.5779(4) 0.0729 0.455(17) Uani D U P 5 7
C256 C 0.3833(3) -0.3059(4) 0.5775(5) 0.1076 0.455(17) Uani D U P 5 7
C257 C 0.31008(13) -0.1903(4) 0.3626(3) 0.0790 1.0000 Uani . U . . .
C258 C 0.50497(13) -0.3578(3) 0.2200(3) 0.0723 1.0000 Uani . U . . .
C259 C 0.49152(13) -0.3904(3) 0.2465(3) 0.0688 1.0000 Uani . U . . .
C266 C 0.26389(19) -0.1596(16) 0.1322(7) 0.1976 0.50(3) Uani D U P 5 2
C267 C 0.2927(5) -0.2229(7) 0.1071(10) 0.2252 0.50(3) Uani D U P 5 2
C268 C 0.2917(6) -0.1311(13) 0.0767(6) 0.2391 0.50(3) Uani D U P 5 2
C270 C 0.3340(4) 0.0062(5) 0.1371(4) 0.1187 0.52(2) Uani D U P 5 4
C271 C 0.3160(3) 0.0208(4) 0.2076(8) 0.1949 0.52(2) Uani D U P 5 4
C272 C 0.3561(3) -0.0073(5) 0.2046(8) 0.1633 0.52(2) Uani D U P 5 4
C280 C 0.3414(2) -0.5494(4) 0.4808(6) 0.1221 0.652(18) Uani D U P 5 6
C281 C 0.3637(4) -0.5588(4) 0.5469(4) 0.2614 0.652(18) Uani D U P 5 6
C282 C 0.3831(2) -0.5596(5) 0.4760(7) 0.2039 0.652(18) Uani D U P 5 6
C284 C 0.4031(3) -0.4050(5) 0.6073(4) 0.1356 0.545(17) Uani D U P 5 8
C285 C 0.4069(3) -0.3230(6) 0.5631(4) 0.1616 0.545(17) Uani D U P 5 8
C286 C 0.3717(2) -0.3387(7) 0.6055(4) 0.1431 0.545(17) Uani D U P 5 8
Zn300 Zn 0.303354(14) 0.12059(4) 0.56320(3) 0.0656 1.0000 Uani . U . . .
N301 N 0.29168(10) 0.0979(3) 0.5032(2) 0.0685 1.0000 Uani . U . . .
C302 C 0.28456(12) 0.0475(3) 0.4907(3) 0.0650 1.0000 Uani . U . . .
C303 C 0.27868(14) 0.0474(4) 0.4481(3) 0.0739 1.0000 Uani . U . . .
C304 C 0.28233(13) 0.0967(4) 0.4309(3) 0.0759 1.0000 Uani . U . . .
C305 C 0.29113(12) 0.1290(3) 0.4662(3) 0.0650 1.0000 Uani . U . . .
N306 N 0.30619(9) 0.1991(3) 0.5399(2) 0.0605 1.0000 Uani . U . . .
C307 C 0.30611(11) 0.2140(3) 0.4973(3) 0.0612 1.0000 Uani . U . . .
C308 C 0.31688(12) 0.2672(3) 0.4934(3) 0.0659 1.0000 Uani . U . . .
C309 C 0.32158(12) 0.2810(3) 0.5344(3) 0.0650 1.0000 Uani . U . . .
C310 C 0.31546(12) 0.2403(3) 0.5643(3) 0.0625 1.0000 Uani . U . . .
N311 N 0.30505(9) 0.1494(3) 0.6240(2) 0.0660 1.0000 Uani . U . . .
C312 C 0.31194(12) 0.1992(3) 0.6381(3) 0.0657 1.0000 Uani . U . . .
C313 C 0.31301(13) 0.2019(4) 0.6829(3) 0.0731 1.0000 Uani . U . . .
C314 C 0.30714(13) 0.1548(3) 0.6997(3) 0.0736 1.0000 Uani . U . . .
C315 C 0.30230(13) 0.1205(4) 0.6617(3) 0.0723 1.0000 Uani . U . . .
N316 N 0.29141(10) 0.0493(3) 0.5878(2) 0.0661 1.0000 Uani . U . . .
C317 C 0.29165(13) 0.0339(3) 0.6302(3) 0.0691 1.0000 Uani . U . . .
C318 C 0.28625(14) -0.0233(4) 0.6341(3) 0.0767 1.0000 Uani . U . . .
C319 C 0.28305(13) -0.0389(4) 0.5929(3) 0.0706 1.0000 Uani . U . . .
C320 C 0.28607(12) 0.0046(3) 0.5636(3) 0.0635 1.0000 Uani . U . . .
C321 C 0.28383(12) 0.0041(3) 0.5201(3) 0.0633 1.0000 Uani . U . . .
C322 C 0.28209(14) -0.0460(4) 0.4981(3) 0.0729 1.0000 Uani . U . . .
C323 C 0.28434(14) -0.0878(4) 0.4805(3) 0.0792 1.0000 Uani . U . . .
C324 C 0.31772(12) 0.2397(3) 0.6091(3) 0.0643 1.0000 Uani . U . . .
C325 C 0.32933(14) 0.2845(3) 0.6267(3) 0.0671 1.0000 Uani . U . . .
C326 C 0.34143(14) 0.3146(4) 0.6446(3) 0.0741 1.0000 Uani . U . . .
C327 C 0.29907(12) 0.1833(3) 0.4618(3) 0.0636 1.0000 Uani . U . . .
C328 C 0.29633(12) 0.0666(3) 0.6660(3) 0.0648 1.0000 Uani . U . . .
C329 C 0.29956(13) 0.2062(3) 0.4182(3) 0.0670 1.0000 Uani . U . . .
C330 C 0.28985(13) 0.2559(3) 0.4083(3) 0.0707 1.0000 Uani . U . . .
C331 C 0.29046(12) 0.2762(3) 0.3664(3) 0.0820 1.0000 Uani D U . . .
C332 C 0.30048(15) 0.2441(4) 0.3336(3) 0.0860 1.0000 Uani . U . . .
C333 C 0.31037(13) 0.1954(3) 0.3426(2) 0.0874 1.0000 Uani D U . . .
C334 C 0.31016(13) 0.1777(3) 0.3848(3) 0.0692 1.0000 Uani . U . . .
C335 C 0.27957(10) 0.3311(2) 0.3571(2) 0.1042 1.0000 Uani D U . . .
C336 C 0.25439(13) 0.3235(4) 0.3479(4) 0.1598 1.0000 Uani D U . . .
C337 C 0.2820(2) 0.3674(4) 0.3955(4) 0.2054 1.0000 Uani D U . . .
C338 C 0.29059(18) 0.3561(4) 0.3175(4) 0.1844 1.0000 Uani D U . . .
C339 C 0.31984(9) 0.1585(2) 0.30651(17) 0.0999 1.0000 Uani D U . . .
C340 C 0.30409(15) 0.1104(3) 0.3011(3) 0.1256 1.0000 Uani D U . . .
C341 C 0.32092(16) 0.1876(4) 0.2646(2) 0.1267 1.0000 Uani D U . . .
C342 C 0.34318(13) 0.1384(3) 0.3192(3) 0.1063 1.0000 Uani D U . . .
C343 C 0.29543(14) 0.0420(4) 0.7101(3) 0.0790 1.0000 Uani . U . . .
C344 C 0.27528(15) 0.0241(4) 0.7262(3) 0.0860 1.0000 Uani . U . . .
C345 C 0.27409(12) -0.0007(4) 0.7669(3) 0.0911 1.0000 Uani D U . . .
C346 C 0.29435(15) -0.0069(3) 0.7899(3) 0.0854 1.0000 Uani . U . . .
C347 C 0.31483(12) 0.0084(3) 0.7734(3) 0.0806 1.0000 Uani D U . . .
C348 C 0.31520(15) 0.0345(3) 0.7340(3) 0.0809 1.0000 Uani . U . . .
C349 C 0.25176(11) -0.0215(4) 0.7865(2) 0.1092 1.0000 Uani D U . . .
C350 C 0.2430(3) 0.0191(8) 0.8195(8) 0.2243 0.52(2) Uani D U P 6 5
C351 C 0.2555(2) -0.0735(8) 0.8091(8) 0.1459 0.52(2) Uani D U P 6 5
C352 C 0.2341(2) -0.0279(12) 0.7510(5) 0.1487 0.52(2) Uani D U P 6 5
C353 C 0.33722(10) 0.0020(3) 0.7983(2) 0.1008 1.0000 Uani D U . . .
C354 C 0.3368(3) -0.0506(8) 0.8232(9) 0.1836 0.54(3) Uani D U P 6 7
C355 C 0.35671(16) 0.0009(14) 0.7678(4) 0.1606 0.54(3) Uani D U P 6 7
C356 C 0.3399(3) 0.0478(9) 0.8306(9) 0.2614 0.54(3) Uani D U P 6 7
C380 C 0.2522(3) -0.0130(15) 0.8355(4) 0.1496 0.48(2) Uani D U P 6 6
C381 C 0.2491(4) -0.0797(6) 0.7778(11) 0.2485 0.48(2) Uani D U P 6 6
C382 C 0.23189(17) 0.0095(12) 0.7677(10) 0.2116 0.48(2) Uani D U P 6 6
C384 C 0.3323(2) -0.0217(12) 0.8427(5) 0.1337 0.46(3) Uani D U P 6 8
C385 C 0.3528(3) -0.0350(10) 0.7747(6) 0.1286 0.46(3) Uani D U P 6 8
C386 C 0.3484(3) 0.0568(5) 0.8044(10) 0.1202 0.46(3) Uani D U P 6 8
N401 N 0.53734(9) -0.3158(2) 0.3169(2) 0.0778 1.0000 Uani D U . . .
C402 C 0.53429(13) -0.2677(3) 0.30005(17) 0.1299 1.0000 Uani D U . . .
C403 C 0.52867(13) -0.2238(2) 0.3264(2) 0.1279 1.0000 Uani D U . . .
C404 C 0.52589(10) -0.2289(3) 0.3689(2) 0.0784 1.0000 Uani D U . . .
C405 C 0.52863(13) -0.2791(3) 0.38648(18) 0.1322 1.0000 Uani D U . . .
C406 C 0.53434(13) -0.3215(2) 0.3580(2) 0.1279 1.0000 Uani D U . . .
C407 C 0.52018(8) -0.1825(2) 0.39661(19) 0.0734 1.0000 Uani D U . . .
C408 C 0.50859(13) -0.1393(3) 0.37861(15) 0.0687 0.497(9) Uani D U P 1 1
C409 C 0.50357(12) -0.0948(2) 0.4039(2) 0.0712 0.497(9) Uani D U P 1 1
C410 C 0.51038(8) -0.0932(2) 0.44700(18) 0.0657 1.0000 Uani D U . . .
C411 C 0.52126(13) -0.1371(3) 0.46537(16) 0.0669 0.497(9) Uani D U P 1 1
C412 C 0.52605(12) -0.1818(2) 0.4402(2) 0.0642 0.497(9) Uani D U P 1 1
C413 C 0.50501(9) -0.0441(3) 0.4747(2) 0.0625 1.0000 Uani . U . . .
C414 C 0.52837(12) -0.1325(3) 0.38456(19) 0.0845 0.503(9) Uani D U P 1 2
C415 C 0.52349(12) -0.0878(2) 0.4098(2) 0.0716 0.503(9) Uani D U P 1 2
C416 C 0.50270(12) -0.1433(3) 0.45963(18) 0.0714 0.503(9) Uani D U P 1 2
C417 C 0.50760(13) -0.1880(2) 0.4344(2) 0.0753 0.503(9) Uani D U P 1 2
N501 N 0.37460(8) -0.2151(2) 0.3703(2) 0.0731 1.0000 Uani D U . . .
C502 C 0.38556(11) -0.1801(3) 0.34608(17) 0.1114 1.0000 Uani D U . . .
C503 C 0.40312(11) -0.1487(3) 0.3633(2) 0.1114 1.0000 Uani D U . . .
C504 C 0.40956(9) -0.1531(3) 0.4047(2) 0.0822 1.0000 Uani D U . . .
C505 C 0.39836(12) -0.1896(3) 0.42989(19) 0.1304 1.0000 Uani D U . . .
C506 C 0.38050(11) -0.2194(3) 0.4104(2) 0.1378 1.0000 Uani D U . . .
C507 C 0.42846(7) -0.1207(2) 0.4245(2) 0.0736 1.0000 Uani D U . . .
C508 C 0.43192(11) -0.0680(3) 0.4120(2) 0.0798 0.504(8) Uani D U P 2 1
C509 C 0.44935(12) -0.0383(2) 0.4304(2) 0.0739 0.504(8) Uani D U P 2 1
C510 C 0.46342(8) -0.0615(2) 0.46126(19) 0.0666 1.0000 Uani D U . . .
C511 C 0.45991(11) -0.1143(3) 0.4740(2) 0.0741 0.504(8) Uani D U P 2 1
C512 C 0.44254(12) -0.1440(2) 0.4554(2) 0.0720 0.504(8) Uani D U P 2 1
C513 C 0.48226(11) -0.0290(3) 0.4816(2) 0.0658 1.0000 Uani . U . . .
C514 C 0.44422(12) -0.0954(3) 0.39811(15) 0.0681 0.496(8) Uani D U P 2 2
C515 C 0.46172(10) -0.0658(3) 0.4165(2) 0.0598 0.496(8) Uani D U P 2 2
C516 C 0.44734(12) -0.0858(3) 0.48762(15) 0.0781 0.496(8) Uani D U P 2 2
C517 C 0.42988(10) -0.1155(3) 0.4693(2) 0.0652 0.496(8) Uani D U P 2 2
N601 N 0.33841(7) 0.0990(2) 0.55289(18) 0.0677 1.0000 Uani D U . . .
C602 C 0.35059(10) 0.1246(2) 0.5231(2) 0.0942 1.0000 Uani D U . . .
C603 C 0.37319(9) 0.1115(2) 0.5157(2) 0.0879 1.0000 Uani D U . . .
C604 C 0.38355(8) 0.0727(3) 0.5379(2) 0.0713 1.0000 Uani D U . . .
C605 C 0.37101(10) 0.0460(2) 0.5688(2) 0.0921 1.0000 Uani D U . . .
C606 C 0.34820(9) 0.0616(2) 0.5746(2) 0.0929 1.0000 Uani D U . . .
C607 C 0.40805(7) 0.0575(2) 0.53021(18) 0.0683 1.0000 Uani D U . . .
C608 C 0.42252(10) 0.0935(2) 0.5100(2) 0.0687 0.481(9) Uani D U P 3 1
C609 C 0.44506(9) 0.0796(2) 0.5024(2) 0.0761 0.481(9) Uani D U P 3 1
C610 C 0.45310(7) 0.0300(2) 0.51551(19) 0.0704 1.0000 Uani D U . . .
C611 C 0.43839(10) -0.00690(19) 0.5343(2) 0.0570 0.481(9) Uani D U P 3 1
C612 C 0.41590(10) 0.0070(2) 0.5419(2) 0.0665 0.481(9) Uani D U P 3 1
C613 C 0.47750(12) 0.0150(3) 0.5071(2) 0.0679 1.0000 Uani . U . . .
C614 C 0.41716(9) 0.0619(3) 0.48881(18) 0.0635 0.519(9) Uani D U P 3 2
C615 C 0.43969(10) 0.0480(3) 0.48142(16) 0.0695 0.519(9) Uani D U P 3 2
C616 C 0.44432(10) 0.0283(3) 0.55731(18) 0.0748 0.519(9) Uani D U P 3 2
C617 C 0.42178(10) 0.0421(3) 0.56467(15) 0.0756 0.519(9) Uani D U P 3 2
C701 C 0.50103(12) 0.0787(3) 0.4125(2) 0.1399 0.357(7) Uani D U P . .
Cl702 Cl 0.50384(15) 0.1476(3) 0.4275(2) 0.1365 0.357(7) Uani D U P . .
Cl703 Cl 0.52377(13) 0.0684(3) 0.3751(3) 0.1566 0.357(7) Uani D U P . .
Cl704 Cl 0.47642(12) 0.0779(3) 0.3791(3) 0.1336 0.357(7) Uani D U P . .
C705 C 0.34799(3) 0.28037(9) 0.37835(7) 0.1040 0.737(6) Uani D U P . .
Cl706 Cl 0.35200(3) 0.34007(9) 0.41012(7) 0.1211 0.737(6) Uani D U P . .
Cl707 Cl 0.35617(3) 0.30061(9) 0.32432(7) 0.0925 0.737(6) Uani D U P . .
Cl708 Cl 0.37106(3) 0.23716(9) 0.39551(7) 0.1224 0.737(6) Uani D U P . .
H1031 H 0.6255 -0.3000 0.2484 0.0848 1.0000 Uiso R . . . .
H1041 H 0.6022 -0.2591 0.1901 0.0807 1.0000 Uiso R . . . .
H1081 H 0.5146 -0.2696 0.1496 0.0970 1.0000 Uiso R . . . .
H1091 H 0.4813 -0.3183 0.1789 0.0870 1.0000 Uiso R . . . .
H1131 H 0.4684 -0.4622 0.3005 0.0946 1.0000 Uiso R . . . .
H1141 H 0.4924 -0.5084 0.3561 0.1038 1.0000 Uiso R . . . .
H1181 H 0.5803 -0.4971 0.3979 0.1121 1.0000 Uiso R . . . .
H1191 H 0.6122 -0.4407 0.3714 0.1145 1.0000 Uiso R . . . .
H1301 H 0.5577 -0.2950 0.1043 0.0874 1.0000 Uiso R . . . .
H1321 H 0.5738 -0.1405 0.0807 0.1032 1.0000 Uiso R . . . .
H1341 H 0.5638 -0.1924 0.2035 0.0929 1.0000 Uiso R . . . .
H1361 H 0.5619 -0.1874 -0.0204 0.1592 0.557(19) Uiso R . P 4 1
H1362 H 0.5715 -0.1533 0.0170 0.1592 0.557(19) Uiso R . P 4 1
H1363 H 0.5463 -0.1699 0.0171 0.1592 0.557(19) Uiso R . P 4 1
H1371 H 0.5514 -0.2810 -0.0076 0.2541 0.557(19) Uiso R . P 4 1
H1372 H 0.5538 -0.3058 0.0380 0.2541 0.557(19) Uiso R . P 4 1
H1373 H 0.5357 -0.2624 0.0294 0.2541 0.557(19) Uiso R . P 4 1
H1381 H 0.5919 -0.2553 -0.0075 0.2565 0.557(19) Uiso R . P 4 1
H1382 H 0.6015 -0.2207 0.0297 0.2565 0.557(19) Uiso R . P 4 1
H1383 H 0.5948 -0.2794 0.0382 0.2565 0.557(19) Uiso R . P 4 1
H1401 H 0.5933 -0.0374 0.1325 0.2123 0.813(12) Uiso R . P 4 3
H1402 H 0.6029 -0.0920 0.1181 0.2123 0.813(12) Uiso R . P 4 3
H1403 H 0.5806 -0.0709 0.0982 0.2123 0.813(12) Uiso R . P 4 3
H1411 H 0.5588 -0.0343 0.1761 0.2455 0.813(12) Uiso R . P 4 3
H1412 H 0.5462 -0.0862 0.1884 0.2455 0.813(12) Uiso R . P 4 3
H1413 H 0.5465 -0.0671 0.1409 0.2455 0.813(12) Uiso R . P 4 3
H1421 H 0.5939 -0.0681 0.2093 0.1662 0.813(12) Uiso R . P 4 3
H1422 H 0.6037 -0.1223 0.1944 0.1662 0.813(12) Uiso R . P 4 3
H1423 H 0.5818 -0.1206 0.2218 0.1662 0.813(12) Uiso R . P 4 3
H1441 H 0.5241 -0.5787 0.3543 0.0872 1.0000 Uiso R . . . .
H1461 H 0.5281 -0.6086 0.4817 0.0934 1.0000 Uiso R . . . .
H1481 H 0.5443 -0.4640 0.4364 0.0800 1.0000 Uiso R . . . .
H1501 H 0.5228 -0.7207 0.3659 0.1407 1.0000 Uiso R . . . .
H1502 H 0.5441 -0.6897 0.3806 0.1407 1.0000 Uiso R . . . .
H1503 H 0.5281 -0.6653 0.3465 0.1407 1.0000 Uiso R . . . .
H1511 H 0.5106 -0.7279 0.4416 0.1640 1.0000 Uiso R . . . .
H1512 H 0.5322 -0.6976 0.4555 0.1640 1.0000 Uiso R . . . .
H1513 H 0.5087 -0.6776 0.4703 0.1640 1.0000 Uiso R . . . .
H1521 H 0.4844 -0.6884 0.3880 0.1298 1.0000 Uiso R . . . .
H1522 H 0.4822 -0.6374 0.4158 0.1298 1.0000 Uiso R . . . .
H1523 H 0.4898 -0.6333 0.3681 0.1298 1.0000 Uiso R . . . .
H1541 H 0.5680 -0.5372 0.5565 0.1276 1.0000 Uiso R . . . .
H1542 H 0.5763 -0.5377 0.5091 0.1276 1.0000 Uiso R . . . .
H1543 H 0.5614 -0.5837 0.5262 0.1276 1.0000 Uiso R . . . .
H1551 H 0.5278 -0.5219 0.5724 0.1485 1.0000 Uiso R . . . .
H1552 H 0.5217 -0.5692 0.5425 0.1485 1.0000 Uiso R . . . .
H1553 H 0.5106 -0.5140 0.5352 0.1485 1.0000 Uiso R . . . .
H1561 H 0.5511 -0.4467 0.5449 0.1680 1.0000 Uiso R . . . .
H1562 H 0.5598 -0.4476 0.4978 0.1680 1.0000 Uiso R . . . .
H1563 H 0.5344 -0.4379 0.5072 0.1680 1.0000 Uiso R . . . .
H1661 H 0.5454 -0.2222 -0.0166 0.1929 0.443(19) Uiso R . P 4 2
H1662 H 0.5421 -0.1784 0.0180 0.1929 0.443(19) Uiso R . P 4 2
H1663 H 0.5329 -0.2353 0.0261 0.1929 0.443(19) Uiso R . P 4 2
H1671 H 0.5716 -0.2964 -0.0032 0.0873 0.443(19) Uiso R . P 4 2
H1672 H 0.5846 -0.3003 0.0401 0.0873 0.443(19) Uiso R . P 4 2
H1673 H 0.5587 -0.3092 0.0390 0.0873 0.443(19) Uiso R . P 4 2
H1681 H 0.5871 -0.2056 -0.0158 0.2401 0.443(19) Uiso R . P 4 2
H1682 H 0.6001 -0.2081 0.0275 0.2401 0.443(19) Uiso R . P 4 2
H1683 H 0.5835 -0.1616 0.0186 0.2401 0.443(19) Uiso R . P 4 2
H1701 H 0.6051 -0.0565 0.1625 0.1198 0.187(12) Uiso R . P 4 4
H1702 H 0.6093 -0.1167 0.1698 0.1198 0.187(12) Uiso R . P 4 4
H1703 H 0.6048 -0.0954 0.1237 0.1198 0.187(12) Uiso R . P 4 4
H1711 H 0.5673 -0.0251 0.1419 0.1182 0.187(12) Uiso R . P 4 4
H1712 H 0.5676 -0.0638 0.1029 0.1182 0.187(12) Uiso R . P 4 4
H1713 H 0.5477 -0.0653 0.1354 0.1182 0.187(12) Uiso R . P 4 4
H1721 H 0.5735 -0.0591 0.2161 0.1221 0.187(12) Uiso R . P 4 4
H1722 H 0.5781 -0.1192 0.2233 0.1221 0.187(12) Uiso R . P 4 4
H1723 H 0.5542 -0.0999 0.2105 0.1221 0.187(12) Uiso R . P 4 4
H2031 H 0.3883 -0.2917 0.1987 0.1094 1.0000 Uiso R . . . .
H2041 H 0.3585 -0.2212 0.1830 0.1068 1.0000 Uiso R . . . .
H2081 H 0.2956 -0.1248 0.2778 0.1062 1.0000 Uiso R . . . .
H2091 H 0.2858 -0.1267 0.3569 0.1200 1.0000 Uiso R . . . .
H2131 H 0.3068 -0.2476 0.4901 0.0876 1.0000 Uiso R . . . .
H2141 H 0.3295 -0.3307 0.5006 0.0984 1.0000 Uiso R . . . .
H2181 H 0.3930 -0.4294 0.4059 0.0917 1.0000 Uiso R . . . .
H2191 H 0.4086 -0.4155 0.3342 0.0997 1.0000 Uiso R . . . .
H2301 H 0.3070 -0.2142 0.1863 0.1184 1.0000 Uiso R . . . .
H2321 H 0.3060 -0.0694 0.1324 0.1493 1.0000 Uiso R . . . .
H2341 H 0.3416 -0.0931 0.2418 0.1187 1.0000 Uiso R . . . .
H2361 H 0.2602 -0.1347 0.0873 0.1860 0.50(3) Uiso R . P 5 1
H2362 H 0.2769 -0.0905 0.1015 0.1860 0.50(3) Uiso R . P 5 1
H2363 H 0.2618 -0.1184 0.1354 0.1860 0.50(3) Uiso R . P 5 1
H2371 H 0.2674 -0.2280 0.1074 0.2368 0.50(3) Uiso R . P 5 1
H2372 H 0.2883 -0.2428 0.1351 0.2368 0.50(3) Uiso R . P 5 1
H2373 H 0.2686 -0.2108 0.1554 0.2368 0.50(3) Uiso R . P 5 1
H2381 H 0.2920 -0.1847 0.0531 0.1947 0.50(3) Uiso R . P 5 1
H2382 H 0.3131 -0.1986 0.0801 0.1947 0.50(3) Uiso R . P 5 1
H2383 H 0.3084 -0.1401 0.0671 0.1947 0.50(3) Uiso R . P 5 1
H2401 H 0.3537 0.0320 0.1455 0.3816 0.48(2) Uiso R . P 5 3
H2402 H 0.3619 -0.0264 0.1495 0.3816 0.48(2) Uiso R . P 5 3
H2403 H 0.3415 -0.0128 0.1203 0.3816 0.48(2) Uiso R . P 5 3
H2411 H 0.3175 0.0585 0.1776 0.1906 0.48(2) Uiso R . P 5 3
H2412 H 0.3025 0.0171 0.2011 0.1906 0.48(2) Uiso R . P 5 3
H2413 H 0.3056 0.0139 0.1516 0.1906 0.48(2) Uiso R . P 5 3
H2421 H 0.3495 0.0373 0.2260 0.1971 0.48(2) Uiso R . P 5 3
H2422 H 0.3579 -0.0210 0.2296 0.1971 0.48(2) Uiso R . P 5 3
H2423 H 0.3350 -0.0047 0.2500 0.1971 0.48(2) Uiso R . P 5 3
H2441 H 0.3545 -0.4620 0.4437 0.0913 1.0000 Uiso R . . . .
H2461 H 0.3812 -0.4700 0.5643 0.0925 1.0000 Uiso R . . . .
H2481 H 0.3757 -0.3274 0.5040 0.0918 1.0000 Uiso R . . . .
H2501 H 0.3389 -0.5888 0.5192 0.2309 0.348(18) Uiso R . P 5 5
H2502 H 0.3395 -0.5395 0.5492 0.2309 0.348(18) Uiso R . P 5 5
H2503 H 0.3292 -0.5348 0.5035 0.2309 0.348(18) Uiso R . P 5 5
H2511 H 0.3797 -0.5995 0.5281 0.1176 0.348(18) Uiso R . P 5 5
H2512 H 0.3959 -0.5524 0.5193 0.1176 0.348(18) Uiso R . P 5 5
H2513 H 0.3798 -0.5507 0.5586 0.1176 0.348(18) Uiso R . P 5 5
H2521 H 0.3640 -0.5921 0.4544 0.2727 0.348(18) Uiso R . P 5 5
H2522 H 0.3799 -0.5445 0.4447 0.2727 0.348(18) Uiso R . P 5 5
H2523 H 0.3541 -0.5383 0.4389 0.2727 0.348(18) Uiso R . P 5 5
H2541 H 0.3878 -0.3717 0.6450 0.1255 0.455(17) Uiso R . P 5 7
H2542 H 0.3857 -0.4261 0.6217 0.1255 0.455(17) Uiso R . P 5 7
H2543 H 0.3655 -0.3870 0.6219 0.1255 0.455(17) Uiso R . P 5 7
H2551 H 0.4213 -0.3510 0.6018 0.0893 0.455(17) Uiso R . P 5 7
H2552 H 0.4191 -0.4060 0.5795 0.0893 0.455(17) Uiso R . P 5 7
H2553 H 0.4207 -0.3547 0.5519 0.0893 0.455(17) Uiso R . P 5 7
H2561 H 0.3897 -0.2876 0.6012 0.1315 0.455(17) Uiso R . P 5 7
H2562 H 0.3885 -0.2906 0.5514 0.1315 0.455(17) Uiso R . P 5 7
H2563 H 0.3673 -0.3032 0.5787 0.1315 0.455(17) Uiso R . P 5 7
H2661 H 0.2539 -0.1714 0.1103 0.2390 0.50(3) Uiso R . P 5 2
H2662 H 0.2617 -0.1805 0.1574 0.2390 0.50(3) Uiso R . P 5 2
H2663 H 0.2609 -0.1233 0.1387 0.2390 0.50(3) Uiso R . P 5 2
H2671 H 0.2829 -0.2344 0.0848 0.2698 0.50(3) Uiso R . P 5 2
H2672 H 0.3079 -0.2273 0.0981 0.2698 0.50(3) Uiso R . P 5 2
H2673 H 0.2901 -0.2434 0.1323 0.2698 0.50(3) Uiso R . P 5 2
H2681 H 0.2820 -0.1430 0.0544 0.2880 0.50(3) Uiso R . P 5 2
H2682 H 0.3070 -0.1345 0.0675 0.2880 0.50(3) Uiso R . P 5 2
H2683 H 0.2886 -0.0949 0.0830 0.2880 0.50(3) Uiso R . P 5 2
H2701 H 0.3385 0.0424 0.1361 0.1468 0.52(2) Uiso R . P 5 4
H2702 H 0.3445 -0.0149 0.1216 0.1468 0.52(2) Uiso R . P 5 4
H2703 H 0.3195 0.0026 0.1244 0.1468 0.52(2) Uiso R . P 5 4
H2711 H 0.3207 0.0569 0.2069 0.2357 0.52(2) Uiso R . P 5 4
H2712 H 0.3150 0.0092 0.2367 0.2357 0.52(2) Uiso R . P 5 4
H2713 H 0.3017 0.0176 0.1941 0.2357 0.52(2) Uiso R . P 5 4
H2721 H 0.3606 0.0290 0.2041 0.1992 0.52(2) Uiso R . P 5 4
H2722 H 0.3667 -0.0281 0.1890 0.1992 0.52(2) Uiso R . P 5 4
H2723 H 0.3554 -0.0194 0.2335 0.1992 0.52(2) Uiso R . P 5 4
H2801 H 0.3397 -0.5869 0.4794 0.1486 0.652(18) Uiso R . P 5 6
H2802 H 0.3294 -0.5345 0.4971 0.1486 0.652(18) Uiso R . P 5 6
H2803 H 0.3412 -0.5350 0.4526 0.1486 0.652(18) Uiso R . P 5 6
H2811 H 0.3622 -0.5964 0.5453 0.3184 0.652(18) Uiso R . P 5 6
H2812 H 0.3774 -0.5502 0.5612 0.3184 0.652(18) Uiso R . P 5 6
H2813 H 0.3514 -0.5443 0.5625 0.3184 0.652(18) Uiso R . P 5 6
H2821 H 0.3816 -0.5972 0.4747 0.2517 0.652(18) Uiso R . P 5 6
H2822 H 0.3970 -0.5508 0.4895 0.2517 0.652(18) Uiso R . P 5 6
H2823 H 0.3829 -0.5454 0.4477 0.2517 0.652(18) Uiso R . P 5 6
H2841 H 0.4096 -0.3871 0.6313 0.1611 0.545(17) Uiso R . P 5 8
H2842 H 0.4146 -0.4212 0.5907 0.1611 0.545(17) Uiso R . P 5 8
H2843 H 0.3929 -0.4315 0.6174 0.1611 0.545(17) Uiso R . P 5 8
H2851 H 0.4133 -0.3049 0.5871 0.1949 0.545(17) Uiso R . P 5 8
H2852 H 0.4186 -0.3400 0.5472 0.1949 0.545(17) Uiso R . P 5 8
H2853 H 0.3993 -0.2982 0.5451 0.1949 0.545(17) Uiso R . P 5 8
H2861 H 0.3781 -0.3204 0.6292 0.1720 0.545(17) Uiso R . P 5 8
H2862 H 0.3615 -0.3651 0.6157 0.1720 0.545(17) Uiso R . P 5 8
H2863 H 0.3637 -0.3142 0.5878 0.1720 0.545(17) Uiso R . P 5 8
H3031 H 0.2729 0.0176 0.4328 0.0887 1.0000 Uiso R . . . .
H3041 H 0.2797 0.1077 0.4021 0.0912 1.0000 Uiso R . . . .
H3081 H 0.3198 0.2869 0.4679 0.0791 1.0000 Uiso R . . . .
H3091 H 0.3282 0.3139 0.5424 0.0782 1.0000 Uiso R . . . .
H3131 H 0.3172 0.2324 0.6990 0.0877 1.0000 Uiso R . . . .
H3141 H 0.3063 0.1454 0.7292 0.0882 1.0000 Uiso R . . . .
H3181 H 0.2853 -0.0441 0.6595 0.0920 1.0000 Uiso R . . . .
H3191 H 0.2793 -0.0741 0.5845 0.0847 1.0000 Uiso R . . . .
H3301 H 0.2828 0.2760 0.4304 0.0849 1.0000 Uiso R . . . .
H3321 H 0.3004 0.2566 0.3048 0.1032 1.0000 Uiso R . . . .
H3341 H 0.3174 0.1451 0.3916 0.0828 1.0000 Uiso R . . . .
H3361 H 0.2475 0.3568 0.3421 0.1926 1.0000 Uiso R . . . .
H3362 H 0.2475 0.3079 0.3725 0.1926 1.0000 Uiso R . . . .
H3363 H 0.2525 0.3006 0.3238 0.1926 1.0000 Uiso R . . . .
H3371 H 0.2753 0.4008 0.3894 0.2459 1.0000 Uiso R . . . .
H3372 H 0.2975 0.3722 0.4018 0.2459 1.0000 Uiso R . . . .
H3373 H 0.2747 0.3517 0.4196 0.2459 1.0000 Uiso R . . . .
H3381 H 0.2839 0.3898 0.3117 0.2230 1.0000 Uiso R . . . .
H3382 H 0.3062 0.3606 0.3230 0.2230 1.0000 Uiso R . . . .
H3383 H 0.2886 0.3335 0.2933 0.2230 1.0000 Uiso R . . . .
H3401 H 0.3097 0.0876 0.2791 0.1507 1.0000 Uiso R . . . .
H3402 H 0.3031 0.0914 0.3274 0.1507 1.0000 Uiso R . . . .
H3403 H 0.2895 0.1229 0.2932 0.1507 1.0000 Uiso R . . . .
H3411 H 0.3267 0.1648 0.2428 0.1515 1.0000 Uiso R . . . .
H3412 H 0.3305 0.2177 0.2676 0.1515 1.0000 Uiso R . . . .
H3413 H 0.3062 0.1990 0.2568 0.1515 1.0000 Uiso R . . . .
H3421 H 0.3490 0.1159 0.2972 0.1281 1.0000 Uiso R . . . .
H3422 H 0.3529 0.1681 0.3228 0.1281 1.0000 Uiso R . . . .
H3423 H 0.3422 0.1191 0.3454 0.1281 1.0000 Uiso R . . . .
H3441 H 0.2619 0.0283 0.7096 0.1042 1.0000 Uiso R . . . .
H3461 H 0.2939 -0.0225 0.8178 0.1024 1.0000 Uiso R . . . .
H3481 H 0.3291 0.0476 0.7231 0.0972 1.0000 Uiso R . . . .
H3501 H 0.2293 0.0067 0.8318 0.2501 0.52(2) Uiso R . P 6 5
H3502 H 0.2540 0.0229 0.8416 0.2501 0.52(2) Uiso R . P 6 5
H3503 H 0.2405 0.0525 0.8061 0.2501 0.52(2) Uiso R . P 6 5
H3511 H 0.2417 -0.0860 0.8210 0.1624 0.52(2) Uiso R . P 6 5
H3512 H 0.2663 -0.0689 0.8315 0.1624 0.52(2) Uiso R . P 6 5
H3513 H 0.2611 -0.0988 0.7889 0.1624 0.52(2) Uiso R . P 6 5
H3521 H 0.2204 -0.0407 0.7630 0.1780 0.52(2) Uiso R . P 6 5
H3522 H 0.2395 -0.0525 0.7302 0.1780 0.52(2) Uiso R . P 6 5
H3523 H 0.2315 0.0056 0.7376 0.1780 0.52(2) Uiso R . P 6 5
H3541 H 0.3505 -0.0550 0.8386 0.2221 0.54(3) Uiso R . P 6 7
H3542 H 0.3245 -0.0507 0.8428 0.2221 0.54(3) Uiso R . P 6 7
H3543 H 0.3351 -0.0790 0.8033 0.2221 0.54(3) Uiso R . P 6 7
H3551 H 0.3704 -0.0030 0.7834 0.1915 0.54(3) Uiso R . P 6 7
H3552 H 0.3571 0.0331 0.7518 0.1915 0.54(3) Uiso R . P 6 7
H3553 H 0.3550 -0.0283 0.7486 0.1915 0.54(3) Uiso R . P 6 7
H3561 H 0.3537 0.0439 0.8459 0.3150 0.54(3) Uiso R . P 6 7
H3562 H 0.3277 0.0476 0.8504 0.3150 0.54(3) Uiso R . P 6 7
H3563 H 0.3400 0.0804 0.8153 0.3150 0.54(3) Uiso R . P 6 7
H3801 H 0.2386 -0.0257 0.8479 0.1734 0.48(2) Uiso R . P 6 6
H3802 H 0.2646 -0.0322 0.8471 0.1734 0.48(2) Uiso R . P 6 6
H3803 H 0.2539 0.0238 0.8418 0.1734 0.48(2) Uiso R . P 6 6
H3811 H 0.2354 -0.0921 0.7899 0.2965 0.48(2) Uiso R . P 6 6
H3812 H 0.2614 -0.0985 0.7902 0.2965 0.48(2) Uiso R . P 6 6
H3813 H 0.2489 -0.0854 0.7476 0.2965 0.48(2) Uiso R . P 6 6
H3821 H 0.2182 -0.0033 0.7797 0.2695 0.48(2) Uiso R . P 6 6
H3822 H 0.2335 0.0462 0.7742 0.2695 0.48(2) Uiso R . P 6 6
H3823 H 0.2317 0.0047 0.7374 0.2695 0.48(2) Uiso R . P 6 6
H3841 H 0.3460 -0.0258 0.8584 0.1632 0.46(3) Uiso R . P 6 8
H3842 H 0.3224 0.0010 0.8582 0.1632 0.46(3) Uiso R . P 6 8
H3843 H 0.3254 -0.0554 0.8390 0.1632 0.46(3) Uiso R . P 6 8
H3851 H 0.3665 -0.0386 0.7902 0.1541 0.46(3) Uiso R . P 6 8
H3852 H 0.3459 -0.0688 0.7718 0.1541 0.46(3) Uiso R . P 6 8
H3853 H 0.3559 -0.0208 0.7469 0.1541 0.46(3) Uiso R . P 6 8
H3861 H 0.3622 0.0529 0.8197 0.1477 0.46(3) Uiso R . P 6 8
H3862 H 0.3386 0.0794 0.8201 0.1477 0.46(3) Uiso R . P 6 8
H3863 H 0.3513 0.0718 0.7769 0.1477 0.46(3) Uiso R . P 6 8
H4021 H 0.5359 -0.2629 0.2699 0.1555 1.0000 Uiso R . . . .
H4031 H 0.5268 -0.1898 0.3136 0.1537 1.0000 Uiso R . . . .
H4051 H 0.5267 -0.2850 0.4165 0.1582 1.0000 Uiso R . . . .
H4061 H 0.5361 -0.3561 0.3698 0.1535 1.0000 Uiso R . . . .
H4081 H 0.5041 -0.1403 0.3492 0.0824 0.497(9) Uiso R . P 1 1
H4091 H 0.4955 -0.0658 0.3918 0.0857 0.497(9) Uiso R . P 1 1
H4111 H 0.5254 -0.1365 0.4949 0.0806 0.497(9) Uiso R . P 1 1
H4121 H 0.5333 -0.2118 0.4527 0.0771 0.497(9) Uiso R . P 1 1
H4141 H 0.5372 -0.1288 0.3592 0.1015 0.503(9) Uiso R . P 1 2
H4151 H 0.5291 -0.0539 0.4017 0.0860 0.503(9) Uiso R . P 1 2
H4161 H 0.4942 -0.1471 0.4853 0.0857 0.503(9) Uiso R . P 1 2
H4171 H 0.5024 -0.2222 0.4430 0.0900 0.503(9) Uiso R . P 1 2
H5021 H 0.3815 -0.1762 0.3167 0.1340 1.0000 Uiso R . . . .
H5031 H 0.4106 -0.1238 0.3454 0.1334 1.0000 Uiso R . . . .
H5051 H 0.4024 -0.1947 0.4592 0.1562 1.0000 Uiso R . . . .
H5061 H 0.3724 -0.2440 0.4278 0.1654 1.0000 Uiso R . . . .
H5081 H 0.4224 -0.0523 0.3908 0.0957 0.504(8) Uiso R . P 2 1
H5091 H 0.4516 -0.0024 0.4220 0.0893 0.504(8) Uiso R . P 2 1
H5111 H 0.4693 -0.1299 0.4952 0.0889 0.504(8) Uiso R . P 2 1
H5121 H 0.4403 -0.1799 0.4638 0.0862 0.504(8) Uiso R . P 2 1
H5141 H 0.4431 -0.0982 0.3677 0.0817 0.496(8) Uiso R . P 2 2
H5151 H 0.4724 -0.0486 0.3985 0.0719 0.496(8) Uiso R . P 2 2
H5161 H 0.4482 -0.0820 0.5180 0.0939 0.496(8) Uiso R . P 2 2
H5171 H 0.4190 -0.1322 0.4872 0.0780 0.496(8) Uiso R . P 2 2
H6021 H 0.3437 0.1521 0.5067 0.1128 1.0000 Uiso R . . . .
H6031 H 0.3815 0.1305 0.4945 0.1051 1.0000 Uiso R . . . .
H6051 H 0.3775 0.0183 0.5854 0.1102 1.0000 Uiso R . . . .
H6061 H 0.3395 0.0435 0.5957 0.1115 1.0000 Uiso R . . . .
H6081 H 0.4171 0.1274 0.5013 0.0824 0.481(9) Uiso R . P 3 1
H6091 H 0.4549 0.1040 0.4885 0.0913 0.481(9) Uiso R . P 3 1
H6111 H 0.4437 -0.0413 0.5419 0.0680 0.481(9) Uiso R . P 3 1
H6121 H 0.4060 -0.0179 0.5549 0.0794 0.481(9) Uiso R . P 3 1
H6141 H 0.4081 0.0743 0.4657 0.0766 0.519(9) Uiso R . P 3 2
H6151 H 0.4459 0.0507 0.4533 0.0837 0.519(9) Uiso R . P 3 2
H6161 H 0.4536 0.0178 0.5807 0.0904 0.519(9) Uiso R . P 3 2
H6171 H 0.4158 0.0410 0.5930 0.0913 0.519(9) Uiso R . P 3 2
H7011 H 0.5007 0.0545 0.4360 0.1682 0.357(7) Uiso R . P . .
H7051 H 0.3334 0.2650 0.3804 0.1252 0.737(6) Uiso R . P . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0020 0.0020 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156
;
 International Tables Vol C 4.2.6.8 and 6.1.1.4 and 
 D. T. Cromer, J. Appl. Cryst. (1983), 16, 433.
;
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0040 0.0030 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290
;
 International Tables Vol C 4.2.6.8 and 6.1.1.4 and 
 D. T. Cromer, J. Appl. Cryst. (1983), 16, 433.
;
Zn 0.2340 1.3590 14.0743 3.2655 7.0318 0.2333 5.1652 10.3163 2.4100 58.7097
1.3041
;
 International Tables Vol C 4.2.6.8 and 6.1.1.4 and 
 D. T. Cromer, J. Appl. Cryst. (1983), 16, 433.
;
Cl 0.1250 0.1500 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574
;
 International Tables Vol C 4.2.6.8 and 6.1.1.4 and 
 D. T. Cromer, J. Appl. Cryst. (1983), 16, 433.
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N101 . Zn100 N106 . 88.2(3) yes
N101 . Zn100 N111 . 165.1(3) yes
N106 . Zn100 N111 . 90.1(3) yes
N101 . Zn100 N116 . 89.5(3) yes
N106 . Zn100 N116 . 165.4(3) yes
N111 . Zn100 N116 . 88.4(3) yes
N101 . Zn100 N401 . 97.8(2) yes
N106 . Zn100 N401 . 95.0(3) yes
N111 . Zn100 N401 . 97.1(3) yes
N116 . Zn100 N401 . 99.6(3) yes
Zn100 . N101 C102 . 125.0(5) yes
Zn100 . N101 C105 . 126.5(5) yes
C102 . N101 C105 . 107.0(6) yes
N101 . C102 C103 . 108.7(7) yes
N101 . C102 C121 . 126.3(7) yes
C103 . C102 C121 . 124.9(7) yes
C102 . C103 C104 . 109.1(7) yes
C102 . C103 H1031 . 125.5 no
C104 . C103 H1031 . 125.5 no
C103 . C104 C105 . 104.6(7) yes
C103 . C104 H1041 . 127.7 no
C105 . C104 H1041 . 127.7 no
C104 . C105 N101 . 110.5(7) yes
C104 . C105 C127 . 122.3(8) yes
N101 . C105 C127 . 127.0(7) yes
Zn100 . N106 C107 . 125.9(5) yes
Zn100 . N106 C258 . 124.9(6) yes
C107 . N106 C258 . 106.3(7) yes
N106 . C107 C108 . 108.8(7) yes
N106 . C107 C127 . 126.5(8) yes
C108 . C107 C127 . 124.5(8) yes
C107 . C108 C109 . 107.5(8) yes
C107 . C108 H1081 . 126.3 no
C109 . C108 H1081 . 126.2 no
C108 . C109 C258 . 106.4(7) yes
C108 . C109 H1091 . 126.8 no
C258 . C109 H1091 . 126.8 no
Zn100 . N111 C112 . 124.8(6) yes
Zn100 . N111 C115 . 126.6(5) yes
C112 . N111 C115 . 105.9(7) yes
N111 . C112 C113 . 110.8(7) yes
N111 . C112 C259 . 123.4(7) yes
C113 . C112 C259 . 125.8(7) yes
C112 . C113 C114 . 108.0(8) yes
C112 . C113 H1131 . 126.0 no
C114 . C113 H1131 . 126.0 no
C113 . C114 C115 . 104.0(8) yes
C113 . C114 H1141 . 128.0 no
C115 . C114 H1141 . 128.0 no
C114 . C115 N111 . 111.1(7) yes
C114 . C115 C128 . 121.8(8) yes
N111 . C115 C128 . 127.1(7) yes
Zn100 . N116 C117 . 127.1(5) yes
Zn100 . N116 C120 . 127.1(6) yes
C117 . N116 C120 . 104.8(7) yes
N116 . C117 C118 . 110.7(7) yes
N116 . C117 C128 . 127.0(8) yes
C118 . C117 C128 . 122.3(8) yes
C117 . C118 C119 . 104.0(8) yes
C117 . C118 H1181 . 128.0 no
C119 . C118 H1181 . 128.0 no
C118 . C119 C120 . 109.3(8) yes
C118 . C119 H1191 . 125.3 no
C120 . C119 H1191 . 125.4 no
N116 . C120 C119 . 111.2(7) yes
N116 . C120 C121 . 123.2(8) yes
C119 . C120 C121 . 125.6(8) yes
C120 . C121 C102 . 126.3(7) yes
C120 . C121 C122 . 116.6(7) yes
C102 . C121 C122 . 116.9(7) yes
C121 . C122 C123 . 169.5(9) yes
C326 2_656 C123 C122 . 167.9(9) yes
C126 . C125 C259 . 170.7(9) yes
C125 . C126 C223 . 172.3(10) yes
C105 . C127 C107 . 123.4(8) yes
C105 . C127 C129 . 117.9(7) yes
C107 . C127 C129 . 118.6(7) yes
C115 . C128 C117 . 121.9(8) yes
C115 . C128 C143 . 120.1(7) yes
C117 . C128 C143 . 117.8(7) yes
C127 . C129 C130 . 122.7(8) yes
C127 . C129 C134 . 115.2(8) yes
C130 . C129 C134 . 122.0(9) yes
C129 . C130 C131 . 122.1(8) yes
C129 . C130 H1301 . 119.0 no
C131 . C130 H1301 . 118.9 no
C130 . C131 C132 . 116.0(7) yes
C130 . C131 C135 . 122.2(6) yes
C132 . C131 C135 . 121.7(7) yes
C131 . C132 C133 . 123.0(8) yes
C131 . C132 H1321 . 118.5 no
C133 . C132 H1321 . 118.5 no
C132 . C133 C134 . 118.9(7) yes
C132 . C133 C139 . 118.8(7) yes
C134 . C133 C139 . 122.2(6) yes
C133 . C134 C129 . 118.0(8) yes
C133 . C134 H1341 . 121.0 no
C129 . C134 H1341 . 121.0 no
C131 . C135 C136 . 109.15(8) yes
C131 . C135 C137 . 110.44(8) yes
C136 . C135 C137 . 108.38(9) yes
C131 . C135 C138 . 109.83(8) yes
C136 . C135 C138 . 108.65(9) yes
C137 . C135 C138 . 110.34(9) yes
C131 . C135 C166 . 109.14(9) yes
C131 . C135 C167 . 110.45(8) yes
C166 . C135 C167 . 108.43(9) yes
C131 . C135 C168 . 109.80(8) yes
C166 . C135 C168 . 108.63(9) yes
C167 . C135 C168 . 110.34(8) yes
C135 . C136 H1361 . 110.0 no
C135 . C136 H1362 . 109.3 no
H1361 . C136 H1362 . 109.5 no
C135 . C136 H1363 . 109.1 no
H1361 . C136 H1363 . 109.5 no
H1362 . C136 H1363 . 109.5 no
C135 . C137 H1371 . 109.8 no
C135 . C137 H1372 . 109.7 no
H1371 . C137 H1372 . 109.5 no
C135 . C137 H1373 . 108.9 no
H1371 . C137 H1373 . 109.5 no
H1372 . C137 H1373 . 109.5 no
C135 . C138 H1381 . 109.9 no
C135 . C138 H1382 . 110.1 no
H1381 . C138 H1382 . 109.5 no
C135 . C138 H1383 . 108.4 no
H1381 . C138 H1383 . 109.5 no
H1382 . C138 H1383 . 109.5 no
C133 . C139 C140 . 109.13(8) yes
C133 . C139 C141 . 110.44(8) yes
C140 . C139 C141 . 108.41(9) yes
C133 . C139 C142 . 109.83(8) yes
C140 . C139 C142 . 108.61(9) yes
C141 . C139 C142 . 110.38(8) yes
C133 . C139 C170 . 109.15(9) yes
C133 . C139 C171 . 110.45(8) yes
C170 . C139 C171 . 108.40(9) yes
C133 . C139 C172 . 109.82(8) yes
C170 . C139 C172 . 108.65(9) yes
C171 . C139 C172 . 110.34(9) yes
C139 . C140 H1401 . 110.1 no
C139 . C140 H1402 . 109.6 no
H1401 . C140 H1402 . 109.5 no
C139 . C140 H1403 . 108.7 no
H1401 . C140 H1403 . 109.5 no
H1402 . C140 H1403 . 109.5 no
C139 . C141 H1411 . 109.7 no
C139 . C141 H1412 . 109.4 no
H1411 . C141 H1412 . 109.5 no
C139 . C141 H1413 . 109.3 no
H1411 . C141 H1413 . 109.5 no
H1412 . C141 H1413 . 109.5 no
C139 . C142 H1421 . 109.9 no
C139 . C142 H1422 . 109.7 no
H1421 . C142 H1422 . 109.5 no
C139 . C142 H1423 . 108.8 no
H1421 . C142 H1423 . 109.5 no
H1422 . C142 H1423 . 109.5 no
C128 . C143 C144 . 118.1(8) yes
C128 . C143 C148 . 120.7(8) yes
C144 . C143 C148 . 121.3(9) yes
C143 . C144 C145 . 119.3(8) yes
C143 . C144 H1441 . 120.3 no
C145 . C144 H1441 . 120.5 no
C144 . C145 C146 . 117.0(7) yes
C144 . C145 C149 . 118.9(6) yes
C146 . C145 C149 . 123.7(6) yes
C145 . C146 C147 . 124.5(8) yes
C145 . C146 H1461 . 117.7 no
C147 . C146 H1461 . 117.7 no
C146 . C147 C148 . 115.4(7) yes
C146 . C147 C153 . 119.8(6) yes
C148 . C147 C153 . 124.7(6) yes
C147 . C148 C143 . 122.5(8) yes
C147 . C148 H1481 . 118.8 no
C143 . C148 H1481 . 118.7 no
C145 . C149 C150 . 109.14(8) yes
C145 . C149 C151 . 110.46(8) yes
C150 . C149 C151 . 108.40(9) yes
C145 . C149 C152 . 109.81(8) yes
C150 . C149 C152 . 108.65(9) yes
C151 . C149 C152 . 110.34(8) yes
C149 . C150 H1501 . 110.0 no
C149 . C150 H1502 . 108.8 no
H1501 . C150 H1502 . 109.5 no
C149 . C150 H1503 . 109.7 no
H1501 . C150 H1503 . 109.5 no
H1502 . C150 H1503 . 109.5 no
C149 . C151 H1511 . 109.8 no
C149 . C151 H1512 . 109.2 no
H1511 . C151 H1512 . 109.5 no
C149 . C151 H1513 . 109.4 no
H1511 . C151 H1513 . 109.5 no
H1512 . C151 H1513 . 109.5 no
C149 . C152 H1521 . 109.9 no
C149 . C152 H1522 . 108.8 no
H1521 . C152 H1522 . 109.5 no
C149 . C152 H1523 . 109.7 no
H1521 . C152 H1523 . 109.5 no
H1522 . C152 H1523 . 109.5 no
C147 . C153 C154 . 109.10(8) yes
C147 . C153 C155 . 110.48(8) yes
C154 . C153 C155 . 108.40(8) yes
C147 . C153 C156 . 109.82(8) yes
C154 . C153 C156 . 108.65(9) yes
C155 . C153 C156 . 110.34(8) yes
C153 . C154 H1541 . 110.0 no
C153 . C154 H1542 . 109.7 no
H1541 . C154 H1542 . 109.5 no
C153 . C154 H1543 . 108.8 no
H1541 . C154 H1543 . 109.5 no
H1542 . C154 H1543 . 109.5 no
C153 . C155 H1551 . 109.7 no
C153 . C155 H1552 . 109.3 no
H1551 . C155 H1552 . 109.5 no
C153 . C155 H1553 . 109.4 no
H1551 . C155 H1553 . 109.5 no
H1552 . C155 H1553 . 109.5 no
C153 . C156 H1561 . 110.0 no
C153 . C156 H1562 . 109.7 no
H1561 . C156 H1562 . 109.5 no
C153 . C156 H1563 . 108.8 no
H1561 . C156 H1563 . 109.5 no
H1562 . C156 H1563 . 109.5 no
C135 . C166 H1661 . 110.0 no
C135 . C166 H1662 . 109.6 no
H1661 . C166 H1662 . 109.5 no
C135 . C166 H1663 . 108.7 no
H1661 . C166 H1663 . 109.5 no
H1662 . C166 H1663 . 109.5 no
C135 . C167 H1671 . 109.8 no
C135 . C167 H1672 . 109.4 no
H1671 . C167 H1672 . 109.5 no
C135 . C167 H1673 . 109.2 no
H1671 . C167 H1673 . 109.5 no
H1672 . C167 H1673 . 109.5 no
C135 . C168 H1681 . 109.9 no
C135 . C168 H1682 . 108.8 no
H1681 . C168 H1682 . 109.5 no
C135 . C168 H1683 . 109.8 no
H1681 . C168 H1683 . 109.5 no
H1682 . C168 H1683 . 109.5 no
C139 . C170 H1701 . 110.1 no
C139 . C170 H1702 . 109.8 no
H1701 . C170 H1702 . 109.5 no
C139 . C170 H1703 . 108.5 no
H1701 . C170 H1703 . 109.5 no
H1702 . C170 H1703 . 109.5 no
C139 . C171 H1711 . 109.8 no
C139 . C171 H1712 . 109.4 no
H1711 . C171 H1712 . 109.5 no
C139 . C171 H1713 . 109.2 no
H1711 . C171 H1713 . 109.5 no
H1712 . C171 H1713 . 109.5 no
C139 . C172 H1721 . 109.8 no
C139 . C172 H1722 . 109.6 no
H1721 . C172 H1722 . 109.5 no
C139 . C172 H1723 . 109.0 no
H1721 . C172 H1723 . 109.5 no
H1722 . C172 H1723 . 109.5 no
N201 . Zn200 N206 . 87.9(3) yes
N201 . Zn200 N211 . 163.6(3) yes
N206 . Zn200 N211 . 89.4(3) yes
N201 . Zn200 N216 . 89.4(3) yes
N206 . Zn200 N216 . 163.8(3) yes
N211 . Zn200 N216 . 88.7(3) yes
N201 . Zn200 N501 . 100.9(3) yes
N206 . Zn200 N501 . 99.9(2) yes
N211 . Zn200 N501 . 95.6(2) yes
N216 . Zn200 N501 . 96.2(2) yes
Zn200 . N201 C202 . 126.8(6) yes
Zn200 . N201 C205 . 128.3(6) yes
C202 . N201 C205 . 103.5(7) yes
N201 . C202 C203 . 112.9(8) yes
N201 . C202 C221 . 121.9(9) yes
C203 . C202 C221 . 125.1(8) yes
C202 . C203 C204 . 106.3(9) yes
C202 . C203 H2031 . 126.9 no
C204 . C203 H2031 . 126.8 no
C203 . C204 C205 . 104.0(9) yes
C203 . C204 H2041 . 128.0 no
C205 . C204 H2041 . 128.0 no
C204 . C205 N201 . 113.3(8) yes
C204 . C205 C227 . 123.0(9) yes
N201 . C205 C227 . 123.7(9) yes
Zn200 . N206 C207 . 128.2(6) yes
Zn200 . N206 C257 . 123.8(6) yes
C207 . N206 C257 . 107.4(7) yes
N206 . C207 C208 . 111.0(8) yes
N206 . C207 C227 . 124.6(8) yes
C208 . C207 C227 . 124.3(9) yes
C207 . C208 C209 . 104.6(9) yes
C207 . C208 H2081 . 127.7 no
C209 . C208 H2081 . 127.7 no
C208 . C209 C257 . 107.9(9) yes
C208 . C209 H2091 . 126.1 no
C257 . C209 H2091 . 126.0 no
Zn200 . N211 C212 . 127.5(6) yes
Zn200 . N211 C215 . 126.0(6) yes
C212 . N211 C215 . 104.9(7) yes
N211 . C212 C213 . 111.9(8) yes
N211 . C212 C224 . 121.5(9) yes
C213 . C212 C224 . 126.5(8) yes
C212 . C213 C214 . 107.9(8) yes
C212 . C213 H2131 . 126.0 no
C214 . C213 H2131 . 126.0 no
C213 . C214 C215 . 104.6(9) yes
C213 . C214 H2141 . 127.7 no
C215 . C214 H2141 . 127.6 no
C214 . C215 N211 . 110.5(7) yes
C214 . C215 C228 . 120.8(9) yes
N211 . C215 C228 . 128.6(9) yes
Zn200 . N216 C217 . 126.4(6) yes
Zn200 . N216 C220 . 124.2(6) yes
C217 . N216 C220 . 107.3(7) yes
N216 . C217 C218 . 108.5(8) yes
N216 . C217 C228 . 125.2(8) yes
C218 . C217 C228 . 126.2(9) yes
C217 . C218 C219 . 107.3(9) yes
C217 . C218 H2181 . 126.4 no
C219 . C218 H2181 . 126.3 no
C218 . C219 C220 . 109.8(8) yes
C218 . C219 H2191 . 125.1 no
C220 . C219 H2191 . 125.1 no
C219 . C220 N216 . 107.0(8) yes
C219 . C220 C221 . 130.0(8) yes
N216 . C220 C221 . 122.9(8) yes
C202 . C221 C220 . 130.3(8) yes
C202 . C221 C222 . 116.0(8) yes
C220 . C221 C222 . 113.5(8) yes
C221 . C222 C223 . 168.1(10) yes
C126 . C223 C222 . 171.2(10) yes
C212 . C224 C225 . 115.6(9) yes
C212 . C224 C257 . 125.7(8) yes
C225 . C224 C257 . 118.2(8) yes
C224 . C225 C226 . 172.5(10) yes
C225 . C226 C323 . 170.1(9) yes
C205 . C227 C207 . 126.0(9) yes
C205 . C227 C229 . 117.8(9) yes
C207 . C227 C229 . 116.0(8) yes
C217 . C228 C215 . 123.2(9) yes
C217 . C228 C243 . 117.0(7) yes
C215 . C228 C243 . 119.5(8) yes
C227 . C229 C230 . 121.6(9) yes
C227 . C229 C234 . 120.3(9) yes
C230 . C229 C234 . 118.1(10) yes
C229 . C230 C231 . 123.5(10) yes
C229 . C230 H2301 . 118.2 no
C231 . C230 H2301 . 118.2 no
C230 . C231 C232 . 116.4(10) yes
C230 . C231 C235 . 123.5(8) yes
C232 . C231 C235 . 120.0(9) yes
C231 . C232 C233 . 124.0(10) yes
C231 . C232 H2321 . 118.1 no
C233 . C232 H2321 . 117.9 no
C232 . C233 C234 . 117.7(9) yes
C232 . C233 C239 . 121.6(8) yes
C234 . C233 C239 . 120.7(8) yes
C233 . C234 C229 . 120.2(10) yes
C233 . C234 H2341 . 119.9 no
C229 . C234 H2341 . 119.9 no
C231 . C235 C236 . 109.14(9) yes
C231 . C235 C237 . 110.45(8) yes
C236 . C235 C237 . 108.40(9) yes
C231 . C235 C238 . 109.81(9) yes
C236 . C235 C238 . 108.65(9) yes
C237 . C235 C238 . 110.34(9) yes
C231 . C235 C266 . 109.13(9) yes
C231 . C235 C267 . 110.45(8) yes
C266 . C235 C267 . 108.41(9) yes
C231 . C235 C268 . 109.82(8) yes
C266 . C235 C268 . 108.64(9) yes
C267 . C235 C268 . 110.35(8) yes
C235 . C236 H2361 . 109.9 no
C235 . C236 H2362 . 109.6 no
H2361 . C236 H2362 . 109.5 no
C235 . C236 H2363 . 108.9 no
H2361 . C236 H2363 . 109.5 no
H2362 . C236 H2363 . 109.5 no
C235 . C237 H2371 . 109.8 no
C235 . C237 H2372 . 109.4 no
H2371 . C237 H2372 . 109.5 no
C235 . C237 H2373 . 109.2 no
H2371 . C237 H2373 . 109.5 no
H2372 . C237 H2373 . 109.5 no
C235 . C238 H2381 . 110.0 no
C235 . C238 H2382 . 108.7 no
H2381 . C238 H2382 . 109.5 no
C235 . C238 H2383 . 109.8 no
H2381 . C238 H2383 . 109.5 no
H2382 . C238 H2383 . 109.5 no
C233 . C239 C240 . 109.14(9) yes
C233 . C239 C241 . 110.44(8) yes
C240 . C239 C241 . 108.41(9) yes
C233 . C239 C242 . 109.81(8) yes
C240 . C239 C242 . 108.65(9) yes
C241 . C239 C242 . 110.33(8) yes
C233 . C239 C270 . 109.14(9) yes
C233 . C239 C271 . 110.45(8) yes
C270 . C239 C271 . 108.40(9) yes
C233 . C239 C272 . 109.82(8) yes
C270 . C239 C272 . 108.63(9) yes
C271 . C239 C272 . 110.36(9) yes
C239 . C240 H2401 . 109.9 no
C239 . C240 H2402 . 109.9 no
H2401 . C240 H2402 . 109.5 no
C239 . C240 H2403 . 108.5 no
H2401 . C240 H2403 . 109.5 no
H2402 . C240 H2403 . 109.5 no
C239 . C241 H2411 . 109.8 no
C239 . C241 H2412 . 109.2 no
H2411 . C241 H2412 . 109.5 no
C239 . C241 H2413 . 109.4 no
H2411 . C241 H2413 . 109.5 no
H2412 . C241 H2413 . 109.5 no
C239 . C242 H2421 . 109.9 no
C239 . C242 H2422 . 109.5 no
H2421 . C242 H2422 . 109.5 no
C239 . C242 H2423 . 109.0 no
H2421 . C242 H2423 . 109.5 no
H2422 . C242 H2423 . 109.5 no
C228 . C243 C244 . 121.4(8) yes
C228 . C243 C248 . 118.8(8) yes
C244 . C243 C248 . 119.8(9) yes
C243 . C244 C245 . 120.3(8) yes
C243 . C244 H2441 . 119.8 no
C245 . C244 H2441 . 119.8 no
C244 . C245 C246 . 120.0(7) yes
C244 . C245 C249 . 118.3(6) yes
C246 . C245 C249 . 121.4(6) yes
C245 . C246 C247 . 119.9(8) yes
C245 . C246 H2461 . 120.0 no
C247 . C246 H2461 . 120.1 no
C246 . C247 C248 . 120.0(7) yes
C246 . C247 C253 . 122.1(7) yes
C248 . C247 C253 . 118.0(6) yes
C243 . C248 C247 . 119.9(8) yes
C243 . C248 H2481 . 120.1 no
C247 . C248 H2481 . 120.0 no
C245 . C249 C250 . 109.14(9) yes
C245 . C249 C251 . 110.46(8) yes
C250 . C249 C251 . 108.39(9) yes
C245 . C249 C252 . 109.82(8) yes
C250 . C249 C252 . 108.65(9) yes
C251 . C249 C252 . 110.34(9) yes
C245 . C249 C280 . 109.14(9) yes
C245 . C249 C281 . 110.46(8) yes
C280 . C249 C281 . 108.40(9) yes
C245 . C249 C282 . 109.81(8) yes
C280 . C249 C282 . 108.64(9) yes
C281 . C249 C282 . 110.34(8) yes
C249 . C250 H2501 . 109.9 no
C249 . C250 H2502 . 108.8 no
H2501 . C250 H2502 . 109.5 no
C249 . C250 H2503 . 109.7 no
H2501 . C250 H2503 . 109.5 no
H2502 . C250 H2503 . 109.5 no
C249 . C251 H2511 . 109.9 no
C249 . C251 H2512 . 109.4 no
H2511 . C251 H2512 . 109.5 no
C249 . C251 H2513 . 109.1 no
H2511 . C251 H2513 . 109.5 no
H2512 . C251 H2513 . 109.5 no
C249 . C252 H2521 . 109.8 no
C249 . C252 H2522 . 108.7 no
H2521 . C252 H2522 . 109.5 no
C249 . C252 H2523 . 109.9 no
H2521 . C252 H2523 . 109.5 no
H2522 . C252 H2523 . 109.5 no
C247 . C253 C254 . 109.11(9) yes
C247 . C253 C255 . 110.46(8) yes
C254 . C253 C255 . 108.41(9) yes
C247 . C253 C256 . 109.82(8) yes
C254 . C253 C256 . 108.62(9) yes
C255 . C253 C256 . 110.37(8) yes
C247 . C253 C284 . 109.15(8) yes
C247 . C253 C285 . 110.43(8) yes
C284 . C253 C285 . 108.37(9) yes
C247 . C253 C286 . 109.85(8) yes
C284 . C253 C286 . 108.67(9) yes
C285 . C253 C286 . 110.34(9) yes
C253 . C254 H2541 . 110.0 no
C253 . C254 H2542 . 108.9 no
H2541 . C254 H2542 . 109.5 no
C253 . C254 H2543 . 109.5 no
H2541 . C254 H2543 . 109.5 no
H2542 . C254 H2543 . 109.5 no
C253 . C255 H2551 . 109.7 no
C253 . C255 H2552 . 109.1 no
H2551 . C255 H2552 . 109.5 no
C253 . C255 H2553 . 109.5 no
H2551 . C255 H2553 . 109.5 no
H2552 . C255 H2553 . 109.5 no
C253 . C256 H2561 . 109.9 no
C253 . C256 H2562 . 108.6 no
H2561 . C256 H2562 . 109.5 no
C253 . C256 H2563 . 109.8 no
H2561 . C256 H2563 . 109.5 no
H2562 . C256 H2563 . 109.5 no
C209 . C257 C224 . 122.8(9) yes
C209 . C257 N206 . 108.9(9) yes
C224 . C257 N206 . 128.3(8) yes
C109 . C258 N106 . 111.0(7) yes
C109 . C258 C259 . 125.1(7) yes
N106 . C258 C259 . 123.8(8) yes
C125 . C259 C112 . 114.3(7) yes
C125 . C259 C258 . 117.0(8) yes
C112 . C259 C258 . 128.5(7) yes
C235 . C266 H2661 . 109.9 no
C235 . C266 H2662 . 109.0 no
H2661 . C266 H2662 . 109.5 no
C235 . C266 H2663 . 109.5 no
H2661 . C266 H2663 . 109.5 no
H2662 . C266 H2663 . 109.5 no
C235 . C267 H2671 . 109.9 no
C235 . C267 H2672 . 109.6 no
H2671 . C267 H2672 . 109.5 no
C235 . C267 H2673 . 109.0 no
H2671 . C267 H2673 . 109.5 no
H2672 . C267 H2673 . 109.5 no
C235 . C268 H2681 . 109.9 no
C235 . C268 H2682 . 108.5 no
H2681 . C268 H2682 . 109.5 no
C235 . C268 H2683 . 110.0 no
H2681 . C268 H2683 . 109.5 no
H2682 . C268 H2683 . 109.5 no
C239 . C270 H2701 . 110.0 no
C239 . C270 H2702 . 109.7 no
H2701 . C270 H2702 . 109.5 no
C239 . C270 H2703 . 108.7 no
H2701 . C270 H2703 . 109.5 no
H2702 . C270 H2703 . 109.5 no
C239 . C271 H2711 . 109.8 no
C239 . C271 H2712 . 109.3 no
H2711 . C271 H2712 . 109.5 no
C239 . C271 H2713 . 109.2 no
H2711 . C271 H2713 . 109.5 no
H2712 . C271 H2713 . 109.5 no
C239 . C272 H2721 . 109.9 no
C239 . C272 H2722 . 109.7 no
H2721 . C272 H2722 . 109.5 no
C239 . C272 H2723 . 108.8 no
H2721 . C272 H2723 . 109.5 no
H2722 . C272 H2723 . 109.5 no
C249 . C280 H2801 . 109.9 no
C249 . C280 H2802 . 109.1 no
H2801 . C280 H2802 . 109.5 no
C249 . C280 H2803 . 109.4 no
H2801 . C280 H2803 . 109.5 no
H2802 . C280 H2803 . 109.5 no
C249 . C281 H2811 . 109.8 no
C249 . C281 H2812 . 109.6 no
H2811 . C281 H2812 . 109.5 no
C249 . C281 H2813 . 108.9 no
H2811 . C281 H2813 . 109.5 no
H2812 . C281 H2813 . 109.5 no
C249 . C282 H2821 . 109.9 no
C249 . C282 H2822 . 108.4 no
H2821 . C282 H2822 . 109.5 no
C249 . C282 H2823 . 110.1 no
H2821 . C282 H2823 . 109.5 no
H2822 . C282 H2823 . 109.5 no
C253 . C284 H2841 . 110.0 no
C253 . C284 H2842 . 108.8 no
H2841 . C284 H2842 . 109.5 no
C253 . C284 H2843 . 109.7 no
H2841 . C284 H2843 . 109.5 no
H2842 . C284 H2843 . 109.5 no
C253 . C285 H2851 . 109.8 no
C253 . C285 H2852 . 109.2 no
H2851 . C285 H2852 . 109.5 no
C253 . C285 H2853 . 109.4 no
H2851 . C285 H2853 . 109.5 no
H2852 . C285 H2853 . 109.5 no
C253 . C286 H2861 . 109.9 no
C253 . C286 H2862 . 109.7 no
H2861 . C286 H2862 . 109.5 no
C253 . C286 H2863 . 108.7 no
H2861 . C286 H2863 . 109.5 no
H2862 . C286 H2863 . 109.5 no
N301 . Zn300 N306 . 88.7(3) yes
N301 . Zn300 N311 . 162.9(2) yes
N306 . Zn300 N311 . 88.9(3) yes
N301 . Zn300 N316 . 88.8(3) yes
N306 . Zn300 N316 . 164.3(2) yes
N311 . Zn300 N316 . 89.0(3) yes
N301 . Zn300 N601 . 96.8(2) yes
N306 . Zn300 N601 . 96.2(2) yes
N311 . Zn300 N601 . 100.3(2) yes
N316 . Zn300 N601 . 99.5(2) yes
Zn300 . N301 C302 . 127.2(6) yes
Zn300 . N301 C305 . 126.7(6) yes
C302 . N301 C305 . 105.9(7) yes
N301 . C302 C303 . 110.4(8) yes
N301 . C302 C321 . 122.0(8) yes
C303 . C302 C321 . 127.6(8) yes
C302 . C303 C304 . 109.5(9) yes
C302 . C303 H3031 . 125.2 no
C304 . C303 H3031 . 125.3 no
C303 . C304 C305 . 105.6(8) yes
C303 . C304 H3041 . 127.2 no
C305 . C304 H3041 . 127.2 no
C304 . C305 N301 . 108.4(7) yes
C304 . C305 C327 . 124.8(8) yes
N301 . C305 C327 . 126.7(8) yes
Zn300 . N306 C307 . 125.7(5) yes
Zn300 . N306 C310 . 122.8(5) yes
C307 . N306 C310 . 108.7(7) yes
N306 . C307 C308 . 108.7(7) yes
N306 . C307 C327 . 127.2(8) yes
C308 . C307 C327 . 123.8(8) yes
C307 . C308 C309 . 104.0(8) yes
C307 . C308 H3081 . 128.0 no
C309 . C308 H3081 . 128.0 no
C308 . C309 C310 . 112.1(8) yes
C308 . C309 H3091 . 123.9 no
C310 . C309 H3091 . 124.0 no
C309 . C310 N306 . 106.3(7) yes
C309 . C310 C324 . 129.0(8) yes
N306 . C310 C324 . 124.7(8) yes
Zn300 . N311 C312 . 129.1(6) yes
Zn300 . N311 C315 . 126.5(6) yes
C312 . N311 C315 . 103.9(7) yes
N311 . C312 C313 . 111.8(8) yes
N311 . C312 C324 . 121.6(8) yes
C313 . C312 C324 . 126.5(8) yes
C312 . C313 C314 . 109.5(9) yes
C312 . C313 H3131 . 125.3 no
C314 . C313 H3131 . 125.2 no
C313 . C314 C315 . 104.8(8) yes
C313 . C314 H3141 . 127.6 no
C315 . C314 H3141 . 127.6 no
C314 . C315 N311 . 110.0(7) yes
C314 . C315 C328 . 122.2(8) yes
N311 . C315 C328 . 127.8(8) yes
Zn300 . N316 C317 . 126.4(6) yes
Zn300 . N316 C320 . 125.3(6) yes
C317 . N316 C320 . 107.1(7) yes
N316 . C317 C318 . 110.5(8) yes
N316 . C317 C328 . 126.5(8) yes
C318 . C317 C328 . 123.1(8) yes
C317 . C318 C319 . 103.6(8) yes
C317 . C318 H3181 . 128.2 no
C319 . C318 H3181 . 128.2 no
C318 . C319 C320 . 111.3(8) yes
C318 . C319 H3191 . 124.4 no
C320 . C319 H3191 . 124.3 no
C319 . C320 N316 . 107.5(7) yes
C319 . C320 C321 . 127.9(8) yes
N316 . C320 C321 . 124.7(8) yes
C302 . C321 C320 . 128.8(8) yes
C302 . C321 C322 . 111.8(8) yes
C320 . C321 C322 . 119.1(8) yes
C321 . C322 C323 . 169.4(9) yes
C226 . C323 C322 . 170.4(10) yes
C312 . C324 C310 . 128.6(8) yes
C312 . C324 C325 . 116.4(8) yes
C310 . C324 C325 . 114.7(8) yes
C324 . C325 C326 . 167.8(9) yes
C123 2_656 C326 C325 . 171.0(10) yes
C305 . C327 C307 . 122.7(8) yes
C305 . C327 C329 . 117.3(8) yes
C307 . C327 C329 . 119.9(8) yes
C317 . C328 C315 . 122.5(8) yes
C317 . C328 C343 . 118.1(8) yes
C315 . C328 C343 . 119.4(8) yes
C327 . C329 C330 . 122.6(8) yes
C327 . C329 C334 . 119.1(7) yes
C330 . C329 C334 . 118.2(8) yes
C329 . C330 C331 . 121.1(8) yes
C329 . C330 H3301 . 119.5 no
C331 . C330 H3301 . 119.5 no
C330 . C331 C332 . 117.9(8) yes
C330 . C331 C335 . 119.2(6) yes
C332 . C331 C335 . 122.8(6) yes
C331 . C332 C333 . 122.1(8) yes
C331 . C332 H3321 . 119.0 no
C333 . C332 H3321 . 118.9 no
C332 . C333 C334 . 118.0(8) yes
C332 . C333 C339 . 122.3(6) yes
C334 . C333 C339 . 119.5(6) yes
C329 . C334 C333 . 122.5(8) yes
C329 . C334 H3341 . 118.6 no
C333 . C334 H3341 . 118.8 no
C331 . C335 C336 . 109.15(9) yes
C331 . C335 C337 . 110.45(8) yes
C336 . C335 C337 . 108.39(9) yes
C331 . C335 C338 . 109.82(8) yes
C336 . C335 C338 . 108.64(9) yes
C337 . C335 C338 . 110.35(8) yes
C335 . C336 H3361 . 110.0 no
C335 . C336 H3362 . 108.7 no
H3361 . C336 H3362 . 109.5 no
C335 . C336 H3363 . 109.7 no
H3361 . C336 H3363 . 109.5 no
H3362 . C336 H3363 . 109.5 no
C335 . C337 H3371 . 109.7 no
C335 . C337 H3372 . 109.4 no
H3371 . C337 H3372 . 109.5 no
C335 . C337 H3373 . 109.3 no
H3371 . C337 H3373 . 109.5 no
H3372 . C337 H3373 . 109.5 no
C335 . C338 H3381 . 109.9 no
C335 . C338 H3382 . 108.8 no
H3381 . C338 H3382 . 109.5 no
C335 . C338 H3383 . 109.7 no
H3381 . C338 H3383 . 109.5 no
H3382 . C338 H3383 . 109.5 no
C333 . C339 C340 . 109.14(8) yes
C333 . C339 C341 . 110.46(8) yes
C340 . C339 C341 . 108.39(8) yes
C333 . C339 C342 . 109.82(8) yes
C340 . C339 C342 . 108.64(9) yes
C341 . C339 C342 . 110.35(8) yes
C339 . C340 H3401 . 110.0 no
C339 . C340 H3402 . 109.7 no
H3401 . C340 H3402 . 109.5 no
C339 . C340 H3403 . 108.7 no
H3401 . C340 H3403 . 109.5 no
H3402 . C340 H3403 . 109.5 no
C339 . C341 H3411 . 109.8 no
C339 . C341 H3412 . 109.3 no
H3411 . C341 H3412 . 109.5 no
C339 . C341 H3413 . 109.3 no
H3411 . C341 H3413 . 109.5 no
H3412 . C341 H3413 . 109.5 no
C339 . C342 H3421 . 109.9 no
C339 . C342 H3422 . 108.8 no
H3421 . C342 H3422 . 109.5 no
C339 . C342 H3423 . 109.6 no
H3421 . C342 H3423 . 109.5 no
H3422 . C342 H3423 . 109.5 no
C328 . C343 C344 . 119.9(8) yes
C328 . C343 C348 . 120.6(8) yes
C344 . C343 C348 . 119.4(8) yes
C343 . C344 C345 . 121.0(8) yes
C343 . C344 H3441 . 119.5 no
C345 . C344 H3441 . 119.5 no
C344 . C345 C346 . 117.4(7) yes
C344 . C345 C349 . 122.9(6) yes
C346 . C345 C349 . 119.7(7) yes
C345 . C346 C347 . 122.5(8) yes
C345 . C346 H3461 . 118.8 no
C347 . C346 H3461 . 118.7 no
C346 . C347 C348 . 118.3(7) yes
C346 . C347 C353 . 123.1(7) yes
C348 . C347 C353 . 118.4(6) yes
C343 . C348 C347 . 121.2(8) yes
C343 . C348 H3481 . 119.4 no
C347 . C348 H3481 . 119.4 no
C345 . C349 C350 . 109.14(9) yes
C345 . C349 C351 . 110.45(8) yes
C350 . C349 C351 . 108.39(9) yes
C345 . C349 C352 . 109.83(8) yes
C350 . C349 C352 . 108.64(9) yes
C351 . C349 C352 . 110.33(9) yes
C345 . C349 C380 . 109.15(9) yes
C345 . C349 C381 . 110.45(8) yes
C380 . C349 C381 . 108.40(9) yes
C345 . C349 C382 . 109.82(8) yes
C380 . C349 C382 . 108.63(9) yes
C381 . C349 C382 . 110.35(8) yes
C349 . C350 H3501 . 109.8 no
C349 . C350 H3502 . 108.4 no
H3501 . C350 H3502 . 109.5 no
C349 . C350 H3503 . 110.1 no
H3501 . C350 H3503 . 109.5 no
H3502 . C350 H3503 . 109.5 no
C349 . C351 H3511 . 109.9 no
C349 . C351 H3512 . 109.6 no
H3511 . C351 H3512 . 109.5 no
C349 . C351 H3513 . 108.9 no
H3511 . C351 H3513 . 109.5 no
H3512 . C351 H3513 . 109.5 no
C349 . C352 H3521 . 109.9 no
C349 . C352 H3522 . 109.1 no
H3521 . C352 H3522 . 109.5 no
C349 . C352 H3523 . 109.4 no
H3521 . C352 H3523 . 109.5 no
H3522 . C352 H3523 . 109.5 no
C347 . C353 C354 . 109.12(9) yes
C347 . C353 C355 . 110.46(8) yes
C354 . C353 C355 . 108.39(9) yes
C347 . C353 C356 . 109.82(8) yes
C354 . C353 C356 . 108.65(9) yes
C355 . C353 C356 . 110.36(9) yes
C347 . C353 C384 . 109.15(9) yes
C347 . C353 C385 . 110.44(8) yes
C384 . C353 C385 . 108.42(9) yes
C347 . C353 C386 . 109.80(8) yes
C384 . C353 C386 . 108.64(9) yes
C385 . C353 C386 . 110.34(9) yes
C353 . C354 H3541 . 109.9 no
C353 . C354 H3542 . 109.6 no
H3541 . C354 H3542 . 109.5 no
C353 . C354 H3543 . 108.8 no
H3541 . C354 H3543 . 109.5 no
H3542 . C354 H3543 . 109.5 no
C353 . C355 H3551 . 109.8 no
C353 . C355 H3552 . 109.4 no
H3551 . C355 H3552 . 109.5 no
C353 . C355 H3553 . 109.1 no
H3551 . C355 H3553 . 109.5 no
H3552 . C355 H3553 . 109.5 no
C353 . C356 H3561 . 109.9 no
C353 . C356 H3562 . 109.8 no
H3561 . C356 H3562 . 109.5 no
C353 . C356 H3563 . 108.7 no
H3561 . C356 H3563 . 109.5 no
H3562 . C356 H3563 . 109.5 no
C349 . C380 H3801 . 109.9 no
C349 . C380 H3802 . 108.5 no
H3801 . C380 H3802 . 109.5 no
C349 . C380 H3803 . 109.9 no
H3801 . C380 H3803 . 109.5 no
H3802 . C380 H3803 . 109.5 no
C349 . C381 H3811 . 109.9 no
C349 . C381 H3812 . 109.3 no
H3811 . C381 H3812 . 109.5 no
C349 . C381 H3813 . 109.1 no
H3811 . C381 H3813 . 109.5 no
H3812 . C381 H3813 . 109.5 no
C349 . C382 H3821 . 109.8 no
C349 . C382 H3822 . 109.6 no
H3821 . C382 H3822 . 109.5 no
C349 . C382 H3823 . 109.0 no
H3821 . C382 H3823 . 109.5 no
H3822 . C382 H3823 . 109.5 no
C353 . C384 H3841 . 109.9 no
C353 . C384 H3842 . 109.9 no
H3841 . C384 H3842 . 109.5 no
C353 . C384 H3843 . 108.6 no
H3841 . C384 H3843 . 109.5 no
H3842 . C384 H3843 . 109.5 no
C353 . C385 H3851 . 109.8 no
C353 . C385 H3852 . 109.5 no
H3851 . C385 H3852 . 109.5 no
C353 . C385 H3853 . 109.2 no
H3851 . C385 H3853 . 109.5 no
H3852 . C385 H3853 . 109.5 no
C353 . C386 H3861 . 109.9 no
C353 . C386 H3862 . 109.5 no
H3861 . C386 H3862 . 109.5 no
C353 . C386 H3863 . 108.9 no
H3861 . C386 H3863 . 109.5 no
H3862 . C386 H3863 . 109.5 no
Zn100 . N401 C402 . 119.3(3) yes
Zn100 . N401 C406 . 122.9(3) yes
C402 . N401 C406 . 117.85(8) yes
N401 . C402 C403 . 121.02(8) yes
N401 . C402 H4021 . 119.3 no
C403 . C402 H4021 . 119.7 no
C402 . C403 C404 . 121.76(8) yes
C402 . C403 H4031 . 119.4 no
C404 . C403 H4031 . 118.9 no
C403 . C404 C405 . 117.44(8) yes
C403 . C404 C407 . 121.7(5) yes
C405 . C404 C407 . 120.9(5) yes
C404 . C405 C406 . 117.75(8) yes
C404 . C405 H4051 . 121.0 no
C406 . C405 H4051 . 121.3 no
C405 . C406 N401 . 124.16(8) yes
C405 . C406 H4061 . 118.2 no
N401 . C406 H4061 . 117.6 no
C404 . C407 C408 . 119.2(5) yes
C404 . C407 C412 . 120.8(5) yes
C408 . C407 C412 . 119.99(4) yes
C404 . C407 C414 . 118.1(5) yes
C404 . C407 C417 . 121.9(5) yes
C414 . C407 C417 . 119.99(3) yes
C407 . C408 C409 . 119.98(4) yes
C407 . C408 H4081 . 120.0 no
C409 . C408 H4081 . 120.0 no
C408 . C409 C410 . 119.98(4) yes
C408 . C409 H4091 . 120.0 no
C410 . C409 H4091 . 120.0 no
C409 . C410 C411 . 119.98(3) yes
C409 . C410 C413 . 120.0(4) yes
C411 . C410 C413 . 120.0(4) yes
C413 . C410 C415 . 120.0(4) yes
C413 . C410 C416 . 120.0(5) yes
C415 . C410 C416 . 120.00(3) yes
C410 . C411 C412 . 119.98(4) yes
C410 . C411 H4111 . 120.0 no
C412 . C411 H4111 . 120.0 no
C411 . C412 C407 . 119.98(4) yes
C411 . C412 H4121 . 120.0 no
C407 . C412 H4121 . 120.0 no
C410 . C413 C613 2_656 119.7(5) yes
C410 . C413 C513 . 119.7(5) yes
C613 2_656 C413 C513 . 120.6(7) yes
C407 . C414 C415 . 119.99(3) yes
C407 . C414 H4141 . 120.0 no
C415 . C414 H4141 . 120.0 no
C410 . C415 C414 . 119.99(3) yes
C410 . C415 H4151 . 120.0 no
C414 . C415 H4151 . 120.0 no
C410 . C416 C417 . 120.00(3) yes
C410 . C416 H4161 . 120.0 no
C417 . C416 H4161 . 120.0 no
C416 . C417 C407 . 120.00(4) yes
C416 . C417 H4171 . 120.0 no
C407 . C417 H4171 . 120.0 no
Zn200 . N501 C502 . 123.5(3) yes
Zn200 . N501 C506 . 118.6(3) yes
C502 . N501 C506 . 117.87(8) yes
N501 . C502 C503 . 121.06(8) yes
N501 . C502 H5021 . 119.3 no
C503 . C502 H5021 . 119.7 no
C502 . C503 C504 . 121.75(8) yes
C502 . C503 H5031 . 119.4 no
C504 . C503 H5031 . 118.9 no
C503 . C504 C505 . 117.43(8) yes
C503 . C504 C507 . 123.6(5) yes
C505 . C504 C507 . 119.0(5) yes
C504 . C505 C506 . 117.74(8) yes
C504 . C505 H5051 . 121.0 no
C506 . C505 H5051 . 121.3 no
C505 . C506 N501 . 124.14(8) yes
C505 . C506 H5061 . 118.2 no
N501 . C506 H5061 . 117.7 no
C504 . C507 C508 . 120.3(5) yes
C504 . C507 C512 . 119.7(5) yes
C508 . C507 C512 . 120.00(3) yes
C504 . C507 C514 . 120.1(5) yes
C504 . C507 C517 . 119.9(5) yes
C514 . C507 C517 . 119.99(4) yes
C507 . C508 C509 . 120.00(3) yes
C507 . C508 H5081 . 120.0 no
C509 . C508 H5081 . 120.0 no
C508 . C509 C510 . 120.00(3) yes
C508 . C509 H5091 . 120.0 no
C510 . C509 H5091 . 120.0 no
C509 . C510 C511 . 119.99(3) yes
C509 . C510 C513 . 119.9(5) yes
C511 . C510 C513 . 120.1(5) yes
C513 . C510 C515 . 120.5(5) yes
C513 . C510 C516 . 119.5(5) yes
C515 . C510 C516 . 120.00(3) yes
C510 . C511 C512 . 119.99(3) yes
C510 . C511 H5111 . 120.0 no
C512 . C511 H5111 . 120.0 no
C507 . C512 C511 . 120.00(3) yes
C507 . C512 H5121 . 120.0 no
C511 . C512 H5121 . 120.0 no
C510 . C513 C413 . 119.5(6) yes
C510 . C513 C613 . 121.0(5) yes
C413 . C513 C613 . 119.4(7) yes
C507 . C514 C515 . 119.99(4) yes
C507 . C514 H5141 . 120.0 no
C515 . C514 H5141 . 120.0 no
C514 . C515 C510 . 119.99(4) yes
C514 . C515 H5151 . 120.0 no
C510 . C515 H5151 . 120.0 no
C510 . C516 C517 . 120.00(4) yes
C510 . C516 H5161 . 120.0 no
C517 . C516 H5161 . 120.0 no
C516 . C517 C507 . 119.99(3) yes
C516 . C517 H5171 . 120.0 no
C507 . C517 H5171 . 120.0 no
Zn300 . N601 C602 . 119.8(3) yes
Zn300 . N601 C606 . 122.3(3) yes
C602 . N601 C606 . 117.89(8) yes
N601 . C602 C603 . 121.05(8) yes
N601 . C602 H6021 . 119.3 no
C603 . C602 H6021 . 119.7 no
C602 . C603 C604 . 121.73(8) yes
C602 . C603 H6031 . 119.4 no
C604 . C603 H6031 . 118.9 no
C603 . C604 C605 . 117.44(8) yes
C603 . C604 C607 . 122.7(4) yes
C605 . C604 C607 . 119.9(4) yes
C604 . C605 C606 . 117.75(8) yes
C604 . C605 H6051 . 121.0 no
C606 . C605 H6051 . 121.3 no
C605 . C606 N601 . 124.14(8) yes
C605 . C606 H6061 . 118.2 no
N601 . C606 H6061 . 117.6 no
C604 . C607 C608 . 119.6(4) yes
C604 . C607 C612 . 120.4(4) yes
C608 . C607 C612 . 119.98(4) yes
C604 . C607 C614 . 119.5(4) yes
C604 . C607 C617 . 120.4(4) yes
C614 . C607 C617 . 119.97(4) yes
C607 . C608 C609 . 119.99(4) yes
C607 . C608 H6081 . 120.0 no
C609 . C608 H6081 . 120.0 no
C608 . C609 C610 . 119.99(4) yes
C608 . C609 H6091 . 120.0 no
C610 . C609 H6091 . 120.0 no
C609 . C610 C611 . 119.98(4) yes
C609 . C610 C613 . 119.8(5) yes
C611 . C610 C613 . 120.2(4) yes
C613 . C610 C615 . 119.5(5) yes
C613 . C610 C616 . 120.5(5) yes
C615 . C610 C616 . 119.97(4) yes
C610 . C611 C612 . 119.98(4) yes
C610 . C611 H6111 . 120.0 no
C612 . C611 H6111 . 120.0 no
C607 . C612 C611 . 119.98(4) yes
C607 . C612 H6121 . 120.0 no
C611 . C612 H6121 . 120.0 no
C610 . C613 C513 . 119.2(5) yes
C610 . C613 C413 2_656 120.8(6) yes
C513 . C613 C413 2_656 119.9(7) yes
C607 . C614 C615 . 119.97(4) yes
C607 . C614 H6141 . 120.0 no
C615 . C614 H6141 . 120.0 no
C614 . C615 C610 . 119.97(4) yes
C614 . C615 H6151 . 120.0 no
C610 . C615 H6151 . 120.0 no
C610 . C616 C617 . 119.97(4) yes
C610 . C616 H6161 . 120.0 no
C617 . C616 H6161 . 120.0 no
C616 . C617 C607 . 119.97(4) yes
C616 . C617 H6171 . 120.0 no
C607 . C617 H6171 . 120.0 no
Cl702 . C701 Cl703 . 103.63(5) yes
Cl702 . C701 Cl704 . 103.61(5) yes
Cl703 . C701 Cl704 . 103.60(5) yes
Cl702 . C701 H7011 . 114.9 no
Cl703 . C701 H7011 . 114.8 no
Cl704 . C701 H7011 . 114.8 no
Cl706 . C705 Cl707 . 103.615(11) yes
Cl706 . C705 Cl708 . 103.631(5) yes
Cl707 . C705 Cl708 . 103.640(3) yes
Cl706 . C705 H7051 . 114.8 no
Cl707 . C705 H7051 . 114.8 no
Cl708 . C705 H7051 . 114.8 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn100 N101 . 2.046(6) yes
Zn100 N106 . 2.060(7) yes
Zn100 N111 . 2.074(7) yes
Zn100 N116 . 2.043(7) yes
Zn100 N401 . 2.124(5) yes
N101 C102 . 1.394(9) yes
N101 C105 . 1.372(10) yes
C102 C103 . 1.468(11) yes
C102 C121 . 1.379(10) yes
C103 C104 . 1.364(11) yes
C103 H1031 . 0.950 no
C104 C105 . 1.501(11) yes
C104 H1041 . 0.950 no
C105 C127 . 1.393(11) yes
N106 C107 . 1.383(10) yes
N106 C258 . 1.383(10) yes
C107 C108 . 1.465(11) yes
C107 C127 . 1.389(11) yes
C108 C109 . 1.367(12) yes
C108 H1081 . 0.950 no
C109 C258 . 1.434(11) yes
C109 H1091 . 0.950 no
N111 C112 . 1.379(9) yes
N111 C115 . 1.343(10) yes
C112 C113 . 1.406(11) yes
C112 C259 . 1.416(11) yes
C113 C114 . 1.379(12) yes
C113 H1131 . 0.950 no
C114 C115 . 1.472(12) yes
C114 H1141 . 0.950 no
C115 C128 . 1.431(11) yes
N116 C117 . 1.366(10) yes
N116 C120 . 1.398(10) yes
C117 C118 . 1.481(12) yes
C117 C128 . 1.422(12) yes
C118 C119 . 1.371(12) yes
C118 H1181 . 0.950 no
C119 C120 . 1.385(12) yes
C119 H1191 . 0.950 no
C120 C121 . 1.416(11) yes
C121 C122 . 1.400(11) yes
C122 C123 . 1.227(10) yes
C123 C326 2_656 1.410(12) yes
C125 C126 . 1.206(10) yes
C125 C259 . 1.439(11) yes
C126 C223 . 1.380(12) yes
C127 C129 . 1.537(12) yes
C128 C143 . 1.520(12) yes
C129 C130 . 1.343(11) yes
C129 C134 . 1.405(11) yes
C130 C131 . 1.424(11) yes
C130 H1301 . 0.950 no
C131 C132 . 1.413(11) yes
C131 C135 . 1.543(6) yes
C132 C133 . 1.382(11) yes
C132 H1321 . 0.950 no
C133 C134 . 1.431(11) yes
C133 C139 . 1.545(6) yes
C134 H1341 . 0.950 no
C135 C136 . 1.530(8) yes
C135 C137 . 1.508(9) yes
C135 C138 . 1.535(9) yes
C135 C166 . 1.531(9) yes
C135 C167 . 1.504(8) yes
C135 C168 . 1.541(9) yes
C136 H1361 . 0.950 no
C136 H1362 . 0.950 no
C136 H1363 . 0.950 no
C137 H1371 . 0.950 no
C137 H1372 . 0.950 no
C137 H1373 . 0.950 no
C138 H1381 . 0.950 no
C138 H1382 . 0.950 no
C138 H1383 . 0.950 no
C139 C140 . 1.533(8) yes
C139 C141 . 1.486(8) yes
C139 C142 . 1.536(8) yes
C139 C170 . 1.531(9) yes
C139 C171 . 1.502(9) yes
C139 C172 . 1.537(9) yes
C140 H1401 . 0.950 no
C140 H1402 . 0.950 no
C140 H1403 . 0.950 no
C141 H1411 . 0.950 no
C141 H1412 . 0.950 no
C141 H1413 . 0.950 no
C142 H1421 . 0.950 no
C142 H1422 . 0.950 no
C142 H1423 . 0.950 no
C143 C144 . 1.401(11) yes
C143 C148 . 1.358(11) yes
C144 C145 . 1.400(11) yes
C144 H1441 . 0.950 no
C145 C146 . 1.389(11) yes
C145 C149 . 1.548(7) yes
C146 C147 . 1.409(11) yes
C146 H1461 . 0.950 no
C147 C148 . 1.379(10) yes
C147 C153 . 1.534(7) yes
C148 H1481 . 0.950 no
C149 C150 . 1.540(7) yes
C149 C151 . 1.497(7) yes
C149 C152 . 1.541(7) yes
C150 H1501 . 0.950 no
C150 H1502 . 0.950 no
C150 H1503 . 0.950 no
C151 H1511 . 0.950 no
C151 H1512 . 0.950 no
C151 H1513 . 0.950 no
C152 H1521 . 0.950 no
C152 H1522 . 0.950 no
C152 H1523 . 0.950 no
C153 C154 . 1.530(7) yes
C153 C155 . 1.506(7) yes
C153 C156 . 1.545(7) yes
C154 H1541 . 0.950 no
C154 H1542 . 0.950 no
C154 H1543 . 0.950 no
C155 H1551 . 0.950 no
C155 H1552 . 0.950 no
C155 H1553 . 0.950 no
C156 H1561 . 0.950 no
C156 H1562 . 0.950 no
C156 H1563 . 0.950 no
C166 H1661 . 0.950 no
C166 H1662 . 0.950 no
C166 H1663 . 0.950 no
C167 H1671 . 0.950 no
C167 H1672 . 0.950 no
C167 H1673 . 0.950 no
C168 H1681 . 0.950 no
C168 H1682 . 0.950 no
C168 H1683 . 0.950 no
C170 H1701 . 0.950 no
C170 H1702 . 0.950 no
C170 H1703 . 0.950 no
C171 H1711 . 0.950 no
C171 H1712 . 0.950 no
C171 H1713 . 0.950 no
C172 H1721 . 0.950 no
C172 H1722 . 0.950 no
C172 H1723 . 0.950 no
Zn200 N201 . 2.048(8) yes
Zn200 N206 . 2.070(7) yes
Zn200 N211 . 2.064(7) yes
Zn200 N216 . 2.075(7) yes
Zn200 N501 . 2.151(5) yes
N201 C202 . 1.366(10) yes
N201 C205 . 1.370(10) yes
C202 C203 . 1.445(13) yes
C202 C221 . 1.422(12) yes
C203 C204 . 1.390(12) yes
C203 H2031 . 0.950 no
C204 C205 . 1.464(13) yes
C204 H2041 . 0.950 no
C205 C227 . 1.446(12) yes
N206 C207 . 1.370(11) yes
N206 C257 . 1.359(11) yes
C207 C208 . 1.450(12) yes
C207 C227 . 1.375(12) yes
C208 C209 . 1.381(13) yes
C208 H2081 . 0.950 no
C209 C257 . 1.459(13) yes
C209 H2091 . 0.950 no
N211 C212 . 1.386(10) yes
N211 C215 . 1.348(10) yes
C212 C213 . 1.384(12) yes
C212 C224 . 1.441(12) yes
C213 C214 . 1.366(11) yes
C213 H2131 . 0.950 no
C214 C215 . 1.476(12) yes
C214 H2141 . 0.950 no
C215 C228 . 1.404(12) yes
N216 C217 . 1.387(11) yes
N216 C220 . 1.415(11) yes
C217 C218 . 1.472(12) yes
C217 C228 . 1.422(12) yes
C218 C219 . 1.325(12) yes
C218 H2181 . 0.950 no
C219 C220 . 1.454(12) yes
C219 H2191 . 0.950 no
C220 C221 . 1.366(12) yes
C221 C222 . 1.469(12) yes
C222 C223 . 1.190(10) yes
C224 C225 . 1.439(12) yes
C224 C257 . 1.400(12) yes
C225 C226 . 1.201(11) yes
C226 C323 . 1.368(12) yes
C227 C229 . 1.480(13) yes
C228 C243 . 1.503(12) yes
C229 C230 . 1.405(13) yes
C229 C234 . 1.407(13) yes
C230 C231 . 1.372(13) yes
C230 H2301 . 0.950 no
C231 C232 . 1.410(15) yes
C231 C235 . 1.538(6) yes
C232 C233 . 1.369(15) yes
C232 H2321 . 0.950 no
C233 C234 . 1.434(14) yes
C233 C239 . 1.547(6) yes
C234 H2341 . 0.950 no
C235 C236 . 1.536(9) yes
C235 C237 . 1.501(9) yes
C235 C238 . 1.530(9) yes
C235 C266 . 1.534(9) yes
C235 C267 . 1.502(9) yes
C235 C268 . 1.537(9) yes
C236 H2361 . 0.950 no
C236 H2362 . 0.950 no
C236 H2363 . 0.950 no
C237 H2371 . 0.950 no
C237 H2372 . 0.950 no
C237 H2373 . 0.950 no
C238 H2381 . 0.950 no
C238 H2382 . 0.950 no
C238 H2383 . 0.950 no
C239 C240 . 1.541(9) yes
C239 C241 . 1.492(9) yes
C239 C242 . 1.541(9) yes
C239 C270 . 1.542(9) yes
C239 C271 . 1.493(9) yes
C239 C272 . 1.531(9) yes
C240 H2401 . 0.950 no
C240 H2402 . 0.950 no
C240 H2403 . 0.950 no
C241 H2411 . 0.950 no
C241 H2412 . 0.950 no
C241 H2413 . 0.950 no
C242 H2421 . 0.950 no
C242 H2422 . 0.950 no
C242 H2423 . 0.950 no
C243 C244 . 1.371(12) yes
C243 C248 . 1.426(12) yes
C244 C245 . 1.400(11) yes
C244 H2441 . 0.950 no
C245 C246 . 1.401(11) yes
C245 C249 . 1.547(6) yes
C246 C247 . 1.396(11) yes
C246 H2461 . 0.950 no
C247 C248 . 1.388(11) yes
C247 C253 . 1.547(6) yes
C248 H2481 . 0.950 no
C249 C250 . 1.531(9) yes
C249 C251 . 1.490(9) yes
C249 C252 . 1.537(9) yes
C249 C280 . 1.533(8) yes
C249 C281 . 1.492(9) yes
C249 C282 . 1.533(9) yes
C250 H2501 . 0.950 no
C250 H2502 . 0.950 no
C250 H2503 . 0.950 no
C251 H2511 . 0.950 no
C251 H2512 . 0.950 no
C251 H2513 . 0.950 no
C252 H2521 . 0.950 no
C252 H2522 . 0.950 no
C252 H2523 . 0.950 no
C253 C254 . 1.546(9) yes
C253 C255 . 1.475(8) yes
C253 C256 . 1.536(9) yes
C253 C284 . 1.548(8) yes
C253 C285 . 1.519(9) yes
C253 C286 . 1.530(9) yes
C254 H2541 . 0.950 no
C254 H2542 . 0.950 no
C254 H2543 . 0.950 no
C255 H2551 . 0.950 no
C255 H2552 . 0.950 no
C255 H2553 . 0.950 no
C256 H2561 . 0.950 no
C256 H2562 . 0.950 no
C256 H2563 . 0.950 no
C258 C259 . 1.409(12) yes
C266 H2661 . 0.950 no
C266 H2662 . 0.950 no
C266 H2663 . 0.950 no
C267 H2671 . 0.950 no
C267 H2672 . 0.950 no
C267 H2673 . 0.950 no
C268 H2681 . 0.950 no
C268 H2682 . 0.950 no
C268 H2683 . 0.950 no
C270 H2701 . 0.950 no
C270 H2702 . 0.950 no
C270 H2703 . 0.950 no
C271 H2711 . 0.950 no
C271 H2712 . 0.950 no
C271 H2713 . 0.950 no
C272 H2721 . 0.950 no
C272 H2722 . 0.950 no
C272 H2723 . 0.950 no
C280 H2801 . 0.950 no
C280 H2802 . 0.950 no
C280 H2803 . 0.950 no
C281 H2811 . 0.950 no
C281 H2812 . 0.950 no
C281 H2813 . 0.950 no
C282 H2821 . 0.950 no
C282 H2822 . 0.950 no
C282 H2823 . 0.950 no
C284 H2841 . 0.950 no
C284 H2842 . 0.950 no
C284 H2843 . 0.950 no
C285 H2851 . 0.950 no
C285 H2852 . 0.950 no
C285 H2853 . 0.950 no
C286 H2861 . 0.950 no
C286 H2862 . 0.950 no
C286 H2863 . 0.950 no
Zn300 N301 . 2.068(7) yes
Zn300 N306 . 2.109(7) yes
Zn300 N311 . 2.025(7) yes
Zn300 N316 . 2.073(7) yes
Zn300 N601 . 2.173(4) yes
N301 C302 . 1.391(10) yes
N301 C305 . 1.391(10) yes
C302 C303 . 1.369(11) yes
C302 C321 . 1.423(11) yes
C303 C304 . 1.367(12) yes
C303 H3031 . 0.950 no
C304 C305 . 1.458(12) yes
C304 H3041 . 0.950 no
C305 C327 . 1.450(11) yes
N306 C307 . 1.377(10) yes
N306 C310 . 1.394(10) yes
C307 C308 . 1.487(11) yes
C307 C327 . 1.407(11) yes
C308 C309 . 1.349(11) yes
C308 H3081 . 0.950 no
C309 C310 . 1.428(11) yes
C309 H3091 . 0.950 no
C310 C324 . 1.399(11) yes
N311 C312 . 1.390(10) yes
N311 C315 . 1.387(10) yes
C312 C313 . 1.393(11) yes
C312 C324 . 1.403(11) yes
C313 C314 . 1.339(11) yes
C313 H3131 . 0.950 no
C314 C315 . 1.488(12) yes
C314 H3141 . 0.950 no
C315 C328 . 1.406(11) yes
N316 C317 . 1.373(10) yes
N316 C320 . 1.389(10) yes
C317 C318 . 1.478(12) yes
C317 C328 . 1.409(11) yes
C318 C319 . 1.350(11) yes
C318 H3181 . 0.950 no
C319 C320 . 1.435(11) yes
C319 H3191 . 0.950 no
C320 C321 . 1.357(11) yes
C321 C322 . 1.435(12) yes
C322 C323 . 1.191(10) yes
C324 C325 . 1.427(11) yes
C325 C326 . 1.183(10) yes
C327 C329 . 1.473(11) yes
C328 C343 . 1.503(12) yes
C329 C330 . 1.411(11) yes
C329 C334 . 1.408(11) yes
C330 C331 . 1.395(11) yes
C330 H3301 . 0.950 no
C331 C332 . 1.429(12) yes
C331 C335 . 1.552(7) yes
C332 C333 . 1.387(12) yes
C332 H3321 . 0.950 no
C333 C334 . 1.384(11) yes
C333 C339 . 1.559(7) yes
C334 H3341 . 0.950 no
C335 C336 . 1.532(7) yes
C335 C337 . 1.508(8) yes
C335 C338 . 1.528(8) yes
C336 H3361 . 0.950 no
C336 H3362 . 0.950 no
C336 H3363 . 0.950 no
C337 H3371 . 0.950 no
C337 H3372 . 0.950 no
C337 H3373 . 0.950 no
C338 H3381 . 0.950 no
C338 H3382 . 0.950 no
C338 H3383 . 0.950 no
C339 C340 . 1.537(7) yes
C339 C341 . 1.496(7) yes
C339 C342 . 1.525(7) yes
C340 H3401 . 0.950 no
C340 H3402 . 0.950 no
C340 H3403 . 0.950 no
C341 H3411 . 0.950 no
C341 H3412 . 0.950 no
C341 H3413 . 0.950 no
C342 H3421 . 0.950 no
C342 H3422 . 0.950 no
C342 H3423 . 0.950 no
C343 C344 . 1.372(12) yes
C343 C348 . 1.401(12) yes
C344 C345 . 1.412(12) yes
C344 H3441 . 0.950 no
C345 C346 . 1.406(12) yes
C345 C349 . 1.548(6) yes
C346 C347 . 1.373(11) yes
C346 H3461 . 0.950 no
C347 C348 . 1.390(11) yes
C347 C353 . 1.545(6) yes
C348 H3481 . 0.950 no
C349 C350 . 1.537(9) yes
C349 C351 . 1.503(9) yes
C349 C352 . 1.528(9) yes
C349 C380 . 1.537(9) yes
C349 C381 . 1.497(9) yes
C349 C382 . 1.528(9) yes
C350 H3501 . 0.950 no
C350 H3502 . 0.950 no
C350 H3503 . 0.950 no
C351 H3511 . 0.950 no
C351 H3512 . 0.950 no
C351 H3513 . 0.950 no
C352 H3521 . 0.950 no
C352 H3522 . 0.950 no
C352 H3523 . 0.950 no
C353 C354 . 1.532(9) yes
C353 C355 . 1.495(9) yes
C353 C356 . 1.534(9) yes
C353 C384 . 1.530(9) yes
C353 C385 . 1.503(9) yes
C353 C386 . 1.539(9) yes
C354 H3541 . 0.950 no
C354 H3542 . 0.950 no
C354 H3543 . 0.950 no
C355 H3551 . 0.950 no
C355 H3552 . 0.950 no
C355 H3553 . 0.950 no
C356 H3561 . 0.950 no
C356 H3562 . 0.950 no
C356 H3563 . 0.950 no
C380 H3801 . 0.950 no
C380 H3802 . 0.950 no
C380 H3803 . 0.950 no
C381 H3811 . 0.950 no
C381 H3812 . 0.950 no
C381 H3813 . 0.950 no
C382 H3821 . 0.950 no
C382 H3822 . 0.950 no
C382 H3823 . 0.950 no
C384 H3841 . 0.950 no
C384 H3842 . 0.950 no
C384 H3843 . 0.950 no
C385 H3851 . 0.950 no
C385 H3852 . 0.950 no
C385 H3853 . 0.950 no
C386 H3861 . 0.950 no
C386 H3862 . 0.950 no
C386 H3863 . 0.950 no
N401 C402 . 1.330(6) yes
N401 C406 . 1.298(6) yes
C402 C403 . 1.413(6) yes
C402 H4021 . 0.950 no
C403 C404 . 1.337(6) yes
C403 H4031 . 0.950 no
C404 C405 . 1.385(6) yes
C404 C407 . 1.488(7) yes
C405 C406 . 1.424(6) yes
C405 H4051 . 0.950 no
C406 H4061 . 0.950 no
C407 C408 . 1.400(3) yes
C407 C412 . 1.397(3) yes
C407 C414 . 1.399(3) yes
C407 C417 . 1.398(3) yes
C408 C409 . 1.399(3) yes
C408 H4081 . 0.950 no
C409 C410 . 1.398(3) yes
C409 H4091 . 0.950 no
C410 C411 . 1.399(3) yes
C410 C413 . 1.538(9) yes
C410 C413 . 1.538(9) yes
C410 C415 . 1.399(3) yes
C410 C416 . 1.397(3) yes
C411 C412 . 1.400(3) yes
C411 H4111 . 0.950 no
C412 H4121 . 0.950 no
C413 C613 2_656 1.388(8) yes
C413 C513 . 1.418(8) yes
C414 C415 . 1.399(3) yes
C414 H4141 . 0.950 no
C415 H4151 . 0.950 no
C416 C417 . 1.400(3) yes
C416 H4161 . 0.950 no
C417 H4171 . 0.950 no
N501 C502 . 1.328(6) yes
N501 C506 . 1.296(6) yes
C502 C503 . 1.412(6) yes
C502 H5021 . 0.950 no
C503 C504 . 1.344(6) yes
C503 H5031 . 0.950 no
C504 C505 . 1.376(6) yes
C504 C507 . 1.516(7) yes
C505 C506 . 1.432(6) yes
C505 H5051 . 0.950 no
C506 H5061 . 0.950 no
C507 C508 . 1.397(3) yes
C507 C512 . 1.399(3) yes
C507 C514 . 1.398(3) yes
C507 C517 . 1.398(3) yes
C508 C509 . 1.398(3) yes
C508 H5081 . 0.950 no
C509 C510 . 1.398(3) yes
C509 H5091 . 0.950 no
C510 C511 . 1.399(3) yes
C510 C513 . 1.522(9) yes
C510 C513 . 1.522(9) yes
C510 C515 . 1.398(3) yes
C510 C516 . 1.397(3) yes
C511 C512 . 1.397(3) yes
C511 H5111 . 0.950 no
C512 H5121 . 0.950 no
C513 C613 . 1.391(8) yes
C514 C515 . 1.398(3) yes
C514 H5141 . 0.950 no
C515 H5151 . 0.950 no
C516 C517 . 1.399(3) yes
C516 H5161 . 0.950 no
C517 H5171 . 0.950 no
N601 C602 . 1.340(6) yes
N601 C606 . 1.294(6) yes
C602 C603 . 1.399(6) yes
C602 H6021 . 0.950 no
C603 C604 . 1.343(6) yes
C603 H6031 . 0.950 no
C604 C605 . 1.387(6) yes
C604 C607 . 1.521(6) yes
C605 C606 . 1.420(6) yes
C605 H6051 . 0.950 no
C606 H6061 . 0.950 no
C607 C608 . 1.397(3) yes
C607 C612 . 1.401(3) yes
C607 C614 . 1.399(3) yes
C607 C617 . 1.399(3) yes
C608 C609 . 1.401(3) yes
C608 H6081 . 0.950 no
C609 C610 . 1.397(3) yes
C609 H6091 . 0.950 no
C610 C611 . 1.401(3) yes
C610 C613 . 1.517(9) yes
C610 C613 . 1.517(9) yes
C610 C615 . 1.399(3) yes
C610 C616 . 1.399(3) yes
C611 C612 . 1.398(3) yes
C611 H6111 . 0.950 no
C612 H6121 . 0.950 no
C614 C615 . 1.400(3) yes
C614 H6141 . 0.950 no
C615 H6151 . 0.950 no
C616 C617 . 1.400(3) yes
C616 H6161 . 0.950 no
C617 H6171 . 0.950 no
C701 Cl702 . 1.800(5) yes
C701 Cl703 . 1.799(5) yes
C701 Cl704 . 1.791(5) yes
C701 H7011 . 0.950 no
C705 Cl706 . 1.81176(14) yes
C705 Cl707 . 1.81897(19) yes
C705 Cl708 . 1.82620(11) yes
C705 H7051 . 0.950 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C137 H1371 C412 5_544 134.2(4) 0.950 2.402 3.139(14) yes
C240 H2402 C254 5_544 144.2(8) 0.950 2.565 3.381(14) yes
C386 H3861 C170 2_656 150.4(8) 0.950 2.522 3.380(14) yes
C412 H4121 C137 5_545 132.3(4) 0.950 2.420 3.139(14) yes
C506 H5061 N211 . 121.8(2) 0.950 2.572 3.176(14) yes
C608 H6081 C167 6_655 142.2(5) 0.950 2.372 3.177(14) yes
C705 H7051 C331 . 146.80(18) 0.950 2.599 3.434(14) yes
C705 H7051 C332 . 139.5(2) 0.950 2.490 3.271(14) yes
C705 H7051 C333 . 138.36(17) 0.950 2.512 3.283(14) yes
C705 H7051 C334 . 146.31(19) 0.950 2.595 3.426(14) yes
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.107 0.841 0.008 17435 4542 ' '
#BEGIN Loops that were not found in dictionaries:
loop_
_oxford_refln_omitted_index_h
_oxford_refln_omitted_index_k
_oxford_refln_omitted_index_l
_oxford_refln_omitted_flag
42 0 0 x
3 13 1 x
40 0 0 x
10 4 0 x
#END Loops that were not found in dictionaries
