* LIGAND DATABASE FILE (OPLS2005)
*
001     112   113    213    320     634
    1     0 S   NP   _N1_     1    28.73212    95.18312   -20.17350
    2     1 S   H    _HN1     2     1.02794    77.85103   -89.73811
    3     1 S   H    _H1_     3     1.02869    91.56259    18.52493
    4     1 S   H    _H2_     4     1.02955    40.76482   133.62679
    5     1 S   CT   _CA1     5     1.50432   149.12336   157.39766
    6     5 S   HC   _HA1     6     1.09683   104.74897    46.72948
    7     5 S   CO3  _C1_     7     1.54455   110.87501   -69.52657
    8     7 S   O2Z  _O11     8     1.26089   116.62198  -114.01013
    9     7 S   O2Z  _O12     9     1.26525   113.79650    64.70989
   10     5 S   CT   _CB1    10     1.53073   107.10172   162.86953
   11    10 S   HC   HB11    11     1.09828   110.06847   -44.05457
   12    10 S   HC   HB12    12     1.09798   110.09226    72.58087
   13    10 S   CT   _CG1    13     1.53077   112.26457  -164.73988
   14    13 S   HC   HG11    14     1.09538   110.74195   -51.95496
   15    13 S   HC   HG12    15     1.09625   110.07229    66.98184
   16    13 S   C    _CD1    16     1.51727   111.89655  -172.86634
   17    16 S   O    _OE1    17     1.22740   123.11027   -14.99343
   18    16 S   N    _N2_    18     1.38566   111.74430   165.41718
   19    18 S   H    _HN2    19     1.01561   119.15930     3.04401
   20    18 S   CT1  _CA2    20     1.46220   123.30981  -174.88687
   21    20 S   HC   _HA2    21     1.09721   109.46012   -11.55594
   22    20 S   C    _C2_    22     1.53322   108.29866  -127.54957
   23    22 S   O    _O2_    23     1.22997   122.34993  -143.87464
   24    20 S   CT   _CB2    32     1.53465   111.12287   110.26384
   25    24 S   HC   HB21    33     1.09547   109.46753    57.06547
   26    24 S   HC   HB22    34     1.09472   110.32993   176.22862
   27    22 S   N    _N3_    24     1.38548   113.27784    43.33176
   28    27 S   H    _HN3    25     1.01524   118.90203    -0.39416
   29    24 S   S    _SG2    35     1.82707   111.68048   -63.20874
   30    27 S   CT   _CA3    26     1.45438   123.35553   175.17253
   31    30 S   HC   HA31    27     1.09529   109.13887    26.24639
   32    30 S   HC   HA32    28     1.09493   107.14323   143.23432
   33    29 S   CT   _C10    36     1.85199    99.94909   172.00488
   34    33 S   HC   _H5_    37     1.08823   105.39746   -39.02031
   35    30 S   CO3  _C3_    29     1.52934   113.20009   -97.16187
   36    35 S   O2Z  _O31    30     1.26396   115.44093   -43.64806
   37    35 S   O2Z  _O32    31     1.26362   114.96060   137.31919
   38    33 S   CM   _C9_    38     1.51933   107.12161    79.33880
   39    38 S   HC   _H20    39     1.09405   113.16914    51.24987
   40    33 S   CT   _C11    58     1.56848   113.36443  -157.93475
   41    40 S   HC   _H6_    59     1.09951   105.28504  -157.91565
   42    38 S   CMA  _C8_    40     1.35896   131.58497  -128.94417
   43    42 S   OM   _O39    41     1.26567   126.55336   179.46845
   44    40 S   CT   _C27    60     1.53660   114.94084   -44.06489
   45    44 S   HC   _H41    61     1.09196   113.29092    66.74032
   46    44 S   HC   _H42    62     1.09499   110.89589   -54.62478
   47    44 S   HC   _H43    63     1.09577   110.24546  -172.97038
   48    42 S   CT   _C7_    42     1.55882   123.69864    -2.43735
   49    48 S   HC   _H4_    43     1.10185   109.22376  -165.09431
   50    48 S   CT   _C6_    44     1.54458   112.16174   -47.95415
   51    50 S   HC   _H18    45     1.09530   107.87583   -25.03692
   52    50 S   HC   _H19    46     1.09085   108.11584    92.45624
   53    48 S   CT   _C28   109     1.53700   109.99500    78.48406
   54    53 S   HC   _H44   110     1.09274   111.93714   -71.88832
   55    53 S   HC   _H45   111     1.09203   111.54650   167.99708
   56    53 S   HC   _H46   112     1.09587   111.19336    48.79663
   57    50 S   CT   _C5_    47     1.54043   118.59274  -145.32716
   58    57 S   HC   _H3_    48     1.09699   107.97567    49.41555
   59    57 S   CT   _C15    49     1.56845   110.26632   166.04169
   60    59 S   HC   _H9_    50     1.09899   107.07568   -66.23693
   61    57 S   CT   _C4_   105     1.53159   112.68402   -67.72171
   62    61 S   HC   _H15   106     1.09421   111.76668   -52.57478
   63    61 S   HC   _H16   107     1.09445   111.75103  -173.79085
   64    61 S   HC   _H17   108     1.09338   110.61545    68.17860
   65    59 S   CT   _C14    51     1.55879   114.61262    53.31863
   66    65 S   HC   _H8_    52     1.09603   110.08494    31.00322
   67    59 S   OS   _O35    76     1.43558   109.23145   175.97518
   68    65 S   CO4  _C13    53     1.52725   110.31084   -89.50728
   69    68 S   O    _O34    54     1.22470   123.93282   -62.61394
   70    65 S   CT   _C24    72     1.53239   113.52838   150.62721
   71    70 S   HC   _H34    73     1.09577   111.39846    54.31293
   72    70 S   HC   _H35    74     1.09486   111.12819   -66.61310
   73    70 S   HC   _H36    75     1.09597   110.80032   173.89350
   74    67 S   CO   _C16    77     1.43300   114.22591    98.04676
   75    74 S   HC   _H10    78     1.09838   108.31552    53.00436
   76    68 S   OS   _O33    55     1.36538   110.38658   116.93695
   77    74 S   CT   _C17    79     1.53772   107.04924   171.55162
   78    77 S   HC   _H11    80     1.09515   108.71645    53.43351
   79    76 S   CT   _C12    56     1.45538   118.28106  -177.68573
   80    79 S   HC   _H7_    57     1.09895   108.75371   -30.76303
   81    77 S   CT   _C18    81     1.53520   110.24122   175.29281
   82    81 S   HC   _H12    82     1.09840   107.83946    68.87625
   83    77 S   OH   _O37   103     1.42872   110.57478   -63.81530
   84    83 S   HO   _H33   104     0.97275   108.45497   -47.80327
   85    79 S   CT   _C25    64     1.54213   106.95308  -146.36154
   86    85 S   HC   _H14    65     1.09465   110.42974   -62.63791
   87    81 S   CT   _C19    83     1.52767   111.35756   -51.25722
   88    87 S   HC   _H21    84     1.09523   111.02138   174.46151
   89    87 S   HC   _H22    85     1.09651   109.93758   -66.30155
   90    81 S   NP   _N4_    93     1.52701   110.20584  -177.14899
   91    90 S   H    _H26    94     1.03039   104.82253   -42.63902
   92    85 S   CT   _C26    66     1.53010   111.55475    56.95307
   93    92 S   HC   _H37    67     1.09555   110.81024    60.44244
   94    92 S   HC   _H38    68     1.09392   111.93646   -61.17679
   95    92 S   HC   _H39    69     1.09517   110.52383   178.44493
   96    85 S   OH   _O38    70     1.42196   110.20335   177.05330
   97    96 S   HO   _H40    71     0.97640   108.02777  -176.72816
   98    87 S   CT   _C20    86     1.53109   109.27047    52.73036
   99    98 S   HC   _H13    87     1.09735   110.58088    62.64582
  100    90 S   CT   _C22    95     1.50606   116.39459    73.50677
  101   100 S   HC   _H27    96     1.09269   108.99459    70.94780
  102   100 S   HC   _H28    97     1.09370   107.66906  -169.46210
  103   100 S   HC   _H29    98     1.09097   109.08018   -50.83533
  104    90 S   CT   _C23    99     1.50758   112.64619  -156.72878
  105   104 S   HC   _H30   100     1.09252   108.82392   -67.31069
  106   104 S   HC   _H31   101     1.09302   108.26964    53.68846
  107   104 S   HC   _H32   102     1.09340   107.98908   172.33289
  108    74 S   OS   _O36    88     1.42772   111.43535   -68.28758
  109    98 S   CT   _C21    89     1.52232   111.14631  -176.52971
  110   109 S   HC   _H23    90     1.09565   111.06782    61.09263
  111   109 S   HC   _H24    91     1.09414   111.33302   -60.28284
  112   109 S   HC   _H25    92     1.09546   110.30961   179.06665
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  11   4  14   8  11   4   7   3   2   1  12
   8  16   6   5   4   2   1   1  13   8  19   7   5   2   1   1
  11   8  10   9   3   4   2   1   1  13   6   6  14   7   9   4
  20   9   4   1   7   6  13   6   5  10   8   5   3   2   1   1
   1   6   5   7   3   2   1   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    79    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    76    79    80    40    41    44    45    46    47    85  
   38    39    42    79    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50    79    40    41    44    53  
   42    43    48    40  
   41    44    45    46    47    85    86    92    96    42    68    76    79    80  
   44    45    46    47    85    76    79    80  
   43    48    49    50    51    52    57    53    54    55    56  
   48    49    50    53  
   45    46    47    85    76    79    80  
   46    47    79  
   47    79  
   79  
   49    50    51    52    57    58    59    61    53    54    55    56  
   50    51    52    57    53    54    55    56  
   51    52    57    58    59    60    65    67    61    62    63    64    53    54    55    56  
   52    57    58    59    61    53  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    65    66    68    70    67    74    61    62    63    64  
   59    60    65    67    61    62    63    64  
   60    65    66    68    69    76    70    71    72    73    67    74    75    77   108    61    62    63    64  
   65    66    68    70    67    74    61  
   62    63    64    65    67  
   63    64  
   64  
    0  
   66    68    69    76    79    70    71    72    73    67    74  
   68    69    76    70    71    72    73    67  
   74    75    77    78    81    98   108    83    68    70  
   69    76    79    80    85    70    71    72    73  
   76    79    70  
   71    72    73    76  
   72    73  
   73  
    0  
   75    77    78    81    82    87    98    99   108   109    90    83    84  
   77    78    81    98   108    83  
   79    80    85    86    92    96  
   78    81    82    87    88    89    98   108    90    91   100   104    83    84  
   81    82    87   108    90    83    84  
   80    85    86    92    93    94    95    96    97  
   85    86    92    96  
   82    87    88    89    98    99   108   109    90    91   100   101   102   103   104   105   106   107    83    84  
   87    88    89    98    90    91   100   104    83  
   84    87    90   108  
    0  
   86    92    93    94    95    96    97  
   92    93    94    95    96    97  
   88    89    98    99   108   109   110   111   112    90    91   100   104  
   89    98    99   108   109    90  
   98    99   108   109    90  
   91   100   101   102   103   104   105   106   107    98  
  100   101   102   103   104   105   106   107  
   93    94    95    96    97  
   94    95    96  
   95    96  
   96  
   97  
    0  
   99   108   109   110   111   112  
  108   109   110   111   112  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   91   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
  100   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   340.000  1.090
   65    68   317.000  1.522
   65    70   268.000  1.529
   68    69   570.000  1.229
   68    76   214.000  1.327
   76    79   320.000  1.410
   79    80   340.000  1.090
   79    40   268.000  1.529
   79    85   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   85    86   340.000  1.090
   85    92   268.000  1.529
   85    96   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   67    74   320.000  1.380
   74    75   340.000  1.090
   74    77   250.000  1.527
   74   108   320.000  1.380
   77    78   340.000  1.090
   77    81   268.000  1.529
   77    83   320.000  1.410
   81    82   340.000  1.090
   81    87   268.000  1.529
   81    90   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    98   268.000  1.529
   98    99   340.000  1.090
   98   108   320.000  1.410
   98   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   90    91   434.000  1.010
   90   100   367.000  1.471
   90   104   367.000  1.471
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   83    84   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    70.00000  112.02700
   42    48    53    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    57    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   50    48    49    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    58.35000  112.70000
   50    57    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    65    58.35000  112.70000
   57    59    67    50.00000  109.50000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    68    63.00000  111.10000
   59    65    70    58.35000  112.70000
   59    67    74    60.00000  109.50000
   65    59    60    37.50000  110.70000
   65    68    69    80.00000  120.40000
   65    68    76    81.00000  111.40000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    65    66    35.00000  109.50000
   68    76    79    83.00000  116.90000
   76    68    69    83.00000  123.40000
   76    79    80    35.00000  109.50000
   76    79    40    50.00000  109.50000
   76    79    85    50.00000  109.50000
   79    40    41    37.50000  110.70000
   79    40    44    58.35000  112.70000
   79    85    86    37.50000  110.70000
   79    85    92    58.35000  112.70000
   79    85    96    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    79    80    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    40    58.35000  112.70000
   85    92    93    37.50000  110.70000
   85    92    94    37.50000  110.70000
   85    92    95    37.50000  110.70000
   85    96    97    55.00000  108.50000
   92    85    86    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    85    86    35.00000  109.50000
   96    85    92    50.00000  109.50000
   70    65    66    37.50000  110.70000
   70    65    68    63.00000  111.10000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   67    74    75    35.00000  109.50000
   67    74    77    90.00000  108.56700
   67    74   108    92.60000  111.55000
   74    77    78    45.00000  108.72000
   74    77    81    75.00000  109.43000
   74    77    83    90.00000  111.58700
   74   108    98    60.00000  109.50000
   77    74    75    45.00000  112.01100
   77    81    82    37.50000  110.70000
   77    81    87    58.35000  112.70000
   77    81    90    80.00000  111.20000
   77    83    84    55.00000  108.50000
   81    77    78    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    98    58.35000  112.70000
   81    90    91    35.00000  109.50000
   81    90   100    75.00000  113.01200
   81    90   104    75.00000  113.01200
   87    81    82    37.50000  110.70000
   87    98    99    37.50000  110.70000
   87    98   108    50.00000  109.50000
   87    98   109    58.35000  112.70000
   89    87    88    33.00000  107.80000
   98    87    88    37.50000  110.70000
   98    87    89    37.50000  110.70000
   98   109   110    37.50000  110.70000
   98   109   111    37.50000  110.70000
   98   109   112    37.50000  110.70000
  108    74    75    35.00000  109.50000
  108    74    77    90.00000  108.56700
  108    98    99    35.00000  109.50000
  109    98    99    37.50000  110.70000
  109    98   108    50.00000  109.50000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   90    81    82    35.00000  109.50000
   90    81    87    80.00000  111.20000
   90   100   101    35.00000  109.50000
   90   100   102    35.00000  109.50000
   90   100   103    35.00000  109.50000
   90   104   105    35.00000  109.50000
   90   104   106    35.00000  109.50000
   90   104   107    35.00000  109.50000
  100    90    91    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    90    91    35.00000  109.50000
  104    90   100    75.00000  113.01200
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    81    50.00000  109.50000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
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  109    98   108    74   0.28050  1.0 3.0
   90    81    87    88   0.19200  1.0 3.0
   90    81    87    89   0.19200  1.0 3.0
   90    81    87    98   1.36600  1.0 1.0
   90    81    87    98  -0.11450 -1.0 2.0
   90    81    87    98   0.24250  1.0 3.0
   91    90   100   101   0.13050  1.0 3.0
   91    90   100   102   0.13050  1.0 3.0
   91    90   100   103   0.13050  1.0 3.0
   91    90   104   105   0.13050  1.0 3.0
   91    90   104   106   0.13050  1.0 3.0
   91    90   104   107   0.13050  1.0 3.0
  100    90   104   105   0.15000  1.0 3.0
  100    90   104   106   0.15000  1.0 3.0
  100    90   104   107   0.15000  1.0 3.0
  104    90   100   101   0.15000  1.0 3.0
  104    90   100   102   0.15000  1.0 3.0
  104    90   100   103   0.15000  1.0 3.0
   83    77    81    82   0.23400  1.0 3.0
   83    77    81    87   0.86500  1.0 1.0
   83    77    81    87  -0.17500 -1.0 2.0
   83    77    81    87   0.20800  1.0 3.0
   83    77    81    90   1.69300  1.0 1.0
   83    77    81    90  -0.48450 -1.0 2.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    65   0.56750  1.0 1.0
   61    57    59    65  -0.07550 -1.0 2.0
   61    57    59    65   0.20000  1.0 3.0
   61    57    59    67   0.62750  1.0 1.0
   61    57    59    67  -0.30950 -1.0 2.0
   61    57    59    67   0.27300  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    57   0.56750  1.0 1.0
   53    48    50    57  -0.07550 -1.0 2.0
   53    48    50    57   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   65    76    68    69  10.50000 -1.0 2.0
END
