* LIGAND DATABASE FILE (OPLS2005)
*
001     113   115    207    320     599
    1     0 S   NP   _N1_     1    29.54896    94.98651   -14.99277
    2     1 S   H    _HN1     2     1.02936   111.87623    40.16021
    3     1 S   H    _H1_     3     1.02811    49.58147   134.41839
    4     1 S   H    _H2_     4     1.02774    59.43292   -58.75600
    5     1 S   CT   _CA1     5     1.50240   137.27119  -149.19647
    6     5 S   HC   _HA1     6     1.09591   105.08868     7.02778
    7     5 S   CO3  _C1_     7     1.53772   112.49505  -112.67392
    8     7 S   O2Z  _O11     8     1.26340   115.08844   -40.78837
    9     7 S   O2Z  _O12     9     1.26246   114.91646   137.98024
   10     5 S   CT   _CB1    10     1.53048   107.25164   124.51395
   11    10 S   HC   HB11    11     1.09813   108.91057   -52.43534
   12    10 S   HC   HB12    12     1.09753   110.47190    63.85042
   13    10 S   CT   _CG1    13     1.53032   113.04078  -173.85793
   14    13 S   HC   HG11    14     1.09574   110.10951   -66.88077
   15    13 S   HC   HG12    15     1.09638   110.22214    52.25999
   16    13 S   C    _CD1    16     1.51909   112.18081   172.05431
   17    16 S   O    _OE1    17     1.22785   123.04864   -13.19184
   18    16 S   N    _N2_    18     1.38609   111.93987   168.16918
   19    18 S   H    _HN2    19     1.01597   119.10503    -2.51287
   20    18 S   CT1  _CA2    20     1.46119   123.33161  -178.93467
   21    20 S   HC   _HA2    21     1.09740   109.12766    -9.35139
   22    20 S   C    _C2_    22     1.53442   108.80119  -124.95716
   23    22 S   O    _O2_    23     1.23054   122.14715  -148.95684
   24    20 S   CT   _CB2    32     1.53577   112.01437   112.35956
   25    24 S   HC   HB21    33     1.09456   110.56481    63.39850
   26    24 S   HC   HB22    34     1.09584   109.70651  -179.51543
   27    22 S   N    _N3_    24     1.38492   113.54959    38.58800
   28    27 S   H    _HN3    25     1.01521   118.81903    -1.00542
   29    24 S   S    _SG2    35     1.83286   111.87141   -61.50142
   30    27 S   CT   _CA3    26     1.45425   123.48577   175.26807
   31    30 S   HC   HA31    27     1.09524   109.25119    24.40893
   32    30 S   HC   HA32    28     1.09499   107.12867   141.37157
   33    29 S   CT   _C34    36     1.84100   102.15931   118.46317
   34    33 S   OM   _O38    37     1.32152   111.31712   -56.99820
   35    30 S   CO3  _C3_    29     1.52901   113.06714   -99.09835
   36    35 S   O2Z  _O31    30     1.26407   115.37386   -46.75154
   37    35 S   O2Z  _O32    31     1.26355   115.02215   134.21347
   38    33 S   CT   _C33    38     1.54362   111.64370    66.62186
   39    38 S   HC   _H38    39     1.09930   110.58642    39.43265
   40    38 S   HC   _H39    40     1.09719   114.54032   -81.58038
   41    38 S   CT   _C32    41     1.53419   105.97152   156.13755
   42    41 S   HC   _H36    42     1.09232   111.55420  -148.07507
   43    41 S   HC   _H37    43     1.09369   111.62259    87.50232
   44    41 S   CO4  _C31    44     1.50820   102.40366   -29.19814
   45    44 S   O    _O37    45     1.22550   123.37034  -171.46804
   46    33 S   CT1  _C30    46     1.55853   109.19623   178.95920
   47    46 S   HC   _H6_    47     1.09821   111.67134   -37.96259
   48    46 S   N    _N5_    48     1.45262   115.52023    88.84794
   49    48 S   H    _H35    49     1.01499   116.73886    72.10768
   50    48 S   C    _C29    50     1.38091   122.90906  -101.85175
   51    50 S   O    _O36    51     1.22618   125.73293    -4.63033
   52    50 S   CM   _C28    52     1.48791   111.79595   174.88795
   53    52 S   HC   _H34    53     1.08526   118.37600     6.59347
   54    52 S   CM   _C27    54     1.34042   120.15113  -172.19933
   55    54 S   HC   _H33    55     1.08728   120.42713    -0.27124
   56    54 S   CM   _C26    56     1.44649   122.47650   178.75841
   57    56 S   HC   _H32    57     1.08827   116.85510     2.79484
   58    56 S   CM   _C25    58     1.34135   123.17924  -176.43932
   59    58 S   HC   _H31    59     1.08782   119.97973    -0.42750
   60    58 S   CM   _C24    60     1.44659   122.77690   179.09583
   61    60 S   HC   _H30    61     1.08671   116.73678     1.61010
   62    60 S   CM   _C23    62     1.34333   123.00628  -178.83165
   63    62 S   HC   _H29    63     1.09033   118.31431    -0.61102
   64    62 S   CT   _C19    64     1.52296   126.31564  -179.89347
   65    64 S   CM   _C18    65     1.52062   108.14136   105.96978
   66    65 S   HC   _H28    66     1.08602   113.98415    61.53518
   67    64 S   OH   _O39   112     1.43616   106.17426  -138.46947
   68    67 S   HO   _H40   113     0.97228   108.84190   -69.97259
   69    65 S   CM   _C17    67     1.34438   126.34135  -116.99171
   70    69 S   CO4  _C22    68     1.49936   119.80198    -1.52701
   71    70 S   O    _O34    69     1.22616   121.73962   173.70711
   72    69 S   N    _N4_    75     1.38422   126.02497   178.16336
   73    72 S   H    _H27    76     1.01757   113.56974  -179.83687
   74    70 S   C3T  _C21    70     1.47459   118.16536    -7.37126
   75    74 S   HC   _H5_    71     1.08370   116.39791   159.34175
   76    72 S   C    _C16    77     1.38736   128.74839     1.29271
   77    76 S   O    _O33    78     1.22762   126.66725     1.55343
   78    64 S   C3T  _C20    72     1.50791   114.32358   -22.32317
   79    78 S   HC   _H4_    73     1.08134   114.92003   -40.98384
   80    76 S   CM   _C14    79     1.50543   112.91323  -178.27524
   81    74 S   O3T  _O35    74     1.43766   113.01772   -60.45015
   82    80 S   CM   _C13    80     1.34751   115.62702  -147.23666
   83    82 S   HC   _H23    81     1.08970   119.91688     0.08623
   84    80 S   CT   _C15   108     1.50148   118.73194    36.38904
   85    84 S   HC   _H24   109     1.09455   110.63628   -84.76447
   86    84 S   HC   _H25   110     1.09550   110.68984    35.66615
   87    84 S   HC   _H26   111     1.09443   112.32060   154.26923
   88    82 S   CM   _C11    82     1.45912   126.64170  -179.25664
   89    88 S   CM   _C10    83     1.34797   120.71629   -59.37506
   90    89 S   HC   _H19    84     1.09107   117.96724    -0.02798
   91    88 S   CT   _C12   104     1.50327   113.45459   123.19364
   92    91 S   HC   _H20   105     1.09609   110.57076    53.84589
   93    91 S   HC   _H21   106     1.09174   113.57897   173.65128
   94    91 S   HC   _H22   107     1.09567   110.20085   -65.76670
   95    89 S   CT   _C8_    85     1.51193   128.04536   179.89913
   96    95 S   HC   _H3_    86     1.09399   111.25632    -5.08546
   97    95 S   CT   _C9_    87     1.53239   108.98597  -122.52170
   98    97 S   HC   _H16    88     1.09602   111.62045   -62.19907
   99    97 S   HC   _H17    89     1.09590   110.97366    58.25492
  100    97 S   HC   _H18    90     1.09544   110.68227   177.70118
  101    95 S   CT   _C7_    91     1.54118   111.59110   115.77398
  102   101 S   HC   _H14    92     1.09780   108.86523   173.74668
  103   101 S   HC   _H15    93     1.09801   110.09120    57.28477
  104   101 S   CT   _C6_    94     1.53328   113.02136   -65.37670
  105   104 S   HC   _H12    95     1.09607   110.15661    62.38819
  106   104 S   HC   _H13    96     1.09679   109.52390   -55.31623
  107   104 S   CT   _C5_    97     1.52915   111.21916  -176.50604
  108   107 S   HC   _H10    98     1.09619   109.88956    58.93468
  109   107 S   HC   _H11    99     1.09622   109.84863   -58.81842
  110   107 S   CT   _C4_   100     1.52040   111.47825  -179.94766
  111   110 S   HC   _H7_   101     1.09469   111.00369    60.28861
  112   110 S   HC   _H8_   102     1.09449   110.26165  -179.96574
  113   110 S   HC   _H9_   103     1.09468   110.99721   -60.22652
  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  10   5   4   3
  14   8   2   1   1  10   6   5   7   4   3   6   3   6   3   6
   3   6   3   6   3   6   3   6   3   6   3   7   3  11   4  12
  13   5   6   1  11   9   5   7   3   4   3   9   3   2   1   9
   1  13   4   4   2   1   1  10  15   5   4   2   1   1  12   8
   7   3   2   1   9   5   4   9   5   4   6   5   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    49    50  
   38    39    40    41    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    48  
   40    41    42    43    44    46  
   41    42    43    44    46  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46  
   45    46    47    48    49    50  
   46    47    48  
   47    48    49    50    51    52  
   48    49    50  
   49    50    51    52    53    54  
   50    51    52  
   51    52    53    54    55    56  
   52    53    54  
   53    54    55    56    57    58  
   54    55    56  
   55    56    57    58    59    60  
   56    57    58  
   57    58    59    60    61    62  
   58    59    60  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65    78    67  
   62    63    64  
   63    64    65    66    69    74    78    79    81    67    68  
   64    65    78    67  
   65    66    69    70    74    75    78    79    81    72    67    68  
   66    69    70    71    74    78    79    81    72    73    76    67    68  
   69    70    78    72    67  
   68    69    74    78    79    81  
   78  
   70    71    74    75    78    81    72    73    76    77    80  
   71    74    75    78    79    81    72    73    76  
   74    75    78    81    72  
   73    76    77    80    82    84    74  
   76    77    80  
   75    78    79    81  
   78    79    81  
   77    80    82    83    88    84    85    86    87  
   80    82    84  
   79    81  
   81  
   82    83    88    89    91    84    85    86    87  
    0  
   83    88    89    90    95    91    92    93    94    84    85    86    87  
   88    89    91    84  
   85    86    87    88  
   86    87  
   87  
    0  
   89    90    95    96    97   101    91    92    93    94  
   90    95    96    97    98    99   100   101   102   103   104    91    92    93    94  
   95    96    97   101    91  
   92    93    94    95  
   93    94  
   94  
    0  
   96    97    98    99   100   101   102   103   104   105   106   107  
   97    98    99   100   101   102   103   104  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104   105   106   107   108   109   110  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   110  
  107   108   109   110  
  108   109   110   111   112   113  
  109   110   111   112   113  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   73   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   81   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  113   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   570.000  1.307
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   317.000  1.522
   44    45   570.000  1.229
   44    46   255.000  1.522
   46    47   340.000  1.090
   46    48   337.000  1.449
   48    49   434.000  1.010
   48    50   490.000  1.335
   50    51   570.000  1.229
   50    52   410.000  1.444
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   380.000  1.444
   56    57   340.000  1.080
   56    58   549.000  1.340
   58    59   340.000  1.080
   58    60   380.000  1.444
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   340.000  1.080
   62    64   317.000  1.510
   64    65   317.000  1.510
   64    78   275.000  1.510
   64    67   320.000  1.410
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   320.000  1.462
   69    72   400.000  1.384
   70    71   570.000  1.229
   70    74   290.000  1.496
   74    75   340.000  1.088
   74    78   260.000  1.509
   74    81   335.000  1.432
   78    79   340.000  1.088
   78    81   335.000  1.432
   72    73   434.000  1.010
   72    76   490.000  1.335
   76    77   570.000  1.229
   76    80   410.000  1.444
   80    82   549.000  1.340
   80    84   317.000  1.510
   82    83   340.000  1.080
   82    88   380.000  1.444
   88    89   549.000  1.340
   88    91   317.000  1.510
   89    90   340.000  1.080
   89    95   317.000  1.510
   95    96   340.000  1.090
   95    97   268.000  1.529
   95   101   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   67    68   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    46    44    70.00000  110.61500
   33    46    47    37.50000  110.70000
   33    46    48    80.00000  109.70000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    80.00000  120.40000
   41    44    46    65.00000  117.09000
   43    41    42    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    35.00000  109.50000
   44    46    47    45.00000  110.09800
   44    46    48    80.00000  110.29000
   46    33    34    50.00000  109.50000
   46    33    38    58.35000  112.70000
   46    44    45    75.00000  123.42600
   46    48    49    38.00000  118.40000
   46    48    50    50.00000  121.90000
   48    46    47    35.00000  109.50000
   48    50    51    80.00000  122.90000
   48    50    52    80.00000  111.56200
   50    48    49    35.00000  119.80000
   50    52    53    35.00000  119.70000
   50    52    54    70.00000  118.70000
   52    50    51    80.00000  125.30000
   52    54    55    35.00000  120.00000
   52    54    56    70.00000  123.01800
   54    52    53    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    70.00000  123.01800
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    70.00000  123.01800
   58    56    57    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    70.00000  123.01800
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    64    65    70.00000  110.12100
   62    64    78    70.00000  112.02700
   62    64    67    90.00000  110.39200
   64    62    63    35.00000  117.00000
   64    65    66    35.00000  117.00000
   64    65    69    70.00000  124.00000
   64    78    74    60.00000  120.94000
   64    78    79    40.00000  115.04500
   64    78    81    80.00000  116.47100
   64    67    68    55.00000  108.50000
   65    69    70    65.00000  118.96000
   65    69    72    75.00000  120.83300
   69    65    66    35.00000  120.00000
   69    70    71    80.00000  123.72100
   69    70    74    65.00000  118.62400
   69    72    73    45.00000  117.55000
   69    72    76    70.00000  120.89900
   70    74    75    40.00000  116.18000
   70    74    78    65.00000  117.18000
   70    74    81    80.00000  114.91000
   74    70    71    75.00000  121.36600
   74    78    79    37.50000  117.20000
   74    78    81    15.00000   60.43100
   74    81    78    15.00000   59.14900
   78    64    65    70.00000  112.02700
   78    74    75    37.50000  117.20000
   81    74    75    50.00000  114.27700
   81    74    78    15.00000   60.43100
   81    78    79    50.00000  114.27700
   72    69    70    70.00000  117.92000
   72    76    77    80.00000  122.90000
   72    76    80    80.00000  111.56200
   76    72    73    35.00000  119.80000
   76    80    82    70.00000  118.70000
   76    80    84    70.00000  119.70000
   80    76    77    80.00000  125.30000
   80    82    83    35.00000  120.00000
   80    82    88    70.00000  123.01800
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   82    88    89    70.00000  123.01800
   82    88    91    70.00000  124.00000
   88    82    83    35.00000  120.00000
   88    89    90    35.00000  120.00000
   88    89    95    70.00000  124.00000
   88    91    92    35.00000  109.50000
   88    91    93    35.00000  109.50000
   88    91    94    35.00000  109.50000
   89    95    96    35.00000  109.50000
   89    95    97    70.00000  112.02700
   89    95   101    70.00000  112.02700
   95    89    90    35.00000  117.00000
   95    97    98    37.50000  110.70000
   95    97    99    37.50000  110.70000
   95    97   100    37.50000  110.70000
   95   101   102    37.50000  110.70000
   95   101   103    37.50000  110.70000
   95   101   104    58.35000  112.70000
   97    95    96    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    95    96    37.50000  110.70000
  101    95    97    58.35000  112.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   109    37.50000  110.70000
  104   107   110    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   110   111    37.50000  110.70000
  107   110   112    37.50000  110.70000
  107   110   113    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   91    88    89    70.00000  124.00000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   84    80    82    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   67    64    65    90.00000  110.39200
   67    64    78    50.00000  109.50000
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
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
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  109   107   110   112   0.15000  1.0 3.0
  109   107   110   113   0.15000  1.0 3.0
   91    88    89    90   7.00000 -1.0 2.0
   91    88    89    95   7.00000 -1.0 2.0
   84    80    82    83   7.00000 -1.0 2.0
   84    80    82    88   7.00000 -1.0 2.0
   67    64    65    66   0.00000  1.0 1.0
   67    64    65    69   0.67800  1.0 1.0
   67    64    65    69   0.47050 -1.0 2.0
   67    64    65    69  -0.62500  1.0 3.0
   67    64    78    74   0.86500  1.0 1.0
   67    64    78    74  -0.17500 -1.0 2.0
   67    64    78    74   0.20800  1.0 3.0
   67    64    78    79   0.23400  1.0 3.0
   67    64    78    81   3.69350  1.0 1.0
   67    64    78    81  -1.82950 -1.0 2.0
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
   41    46    44    45  10.50000 -1.0 2.0
   49    50    48    46   1.00000 -1.0 2.0
   48    52    50    51  10.50000 -1.0 2.0
   50    53    52    54  15.00000 -1.0 2.0
   56    55    54    52  15.00000 -1.0 2.0
   54    57    56    58  15.00000 -1.0 2.0
   60    59    58    56  15.00000 -1.0 2.0
   58    61    60    62  15.00000 -1.0 2.0
   64    63    62    60  15.00000 -1.0 2.0
   64    66    65    69   1.10000 -1.0 2.0
   70    72    69    65   1.10000 -1.0 2.0
   69    74    70    71  10.50000 -1.0 2.0
   73    76    72    69   1.00000 -1.0 2.0
   72    80    76    77  10.50000 -1.0 2.0
   76    84    80    82  15.00000 -1.0 2.0
   88    83    82    80  15.00000 -1.0 2.0
   82    91    88    89  15.00000 -1.0 2.0
   95    90    89    88  15.00000 -1.0 2.0
END
