* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    201    335     606
    1     0 S   NP   _N1_     1    28.94931    97.96891   -20.58296
    2     1 S   H    _HN1     2     1.02791    96.76249  -107.70170
    3     1 S   H    _H1_     3     1.02952    64.18880    -0.52934
    4     1 S   H    _H2_     4     1.02831    50.50016   144.66607
    5     1 S   CT   _CA1     5     1.50121   150.19970    85.74385
    6     5 S   HC   _HA1     6     1.09561   105.21991   104.29371
    7     5 S   CO3  _C1_     7     1.53768   112.45201   -16.13876
    8     7 S   O2Z  _O11     8     1.26390   114.97089   -41.44111
    9     7 S   O2Z  _O12     9     1.26211   114.99733   137.72225
   10     5 S   CT   _CB1    10     1.53061   107.44314  -137.47841
   11    10 S   HC   HB11    11     1.09841   109.56454   -47.47350
   12    10 S   HC   HB12    12     1.09816   110.36086    69.15874
   13    10 S   CT   _CG1    13     1.53034   112.62526  -168.31296
   14    13 S   HC   HG11    14     1.09581   110.83859   -64.79852
   15    13 S   HC   HG12    15     1.09653   109.68800    54.47649
   16    13 S   C    _CD1    16     1.51799   111.82164   175.27934
   17    16 S   O    _OE1    17     1.22760   123.07138    15.87699
   18    16 S   N    _N2_    18     1.38581   111.92746  -165.04990
   19    18 S   H    _HN2    19     1.01548   119.16042     3.26764
   20    18 S   CT1  _CA2    20     1.46302   123.34476   179.18675
   21    20 S   HC   _HA2    21     1.09736   109.35763     1.28390
   22    20 S   C    _C2_    22     1.53511   108.64841  -114.22201
   23    22 S   O    _O2_    23     1.23046   122.32976  -148.89691
   24    20 S   CT   _CB2    32     1.53329   111.41570   123.19031
   25    24 S   HC   HB21    33     1.09562   109.73824    56.97314
   26    24 S   HC   HB22    34     1.09436   110.35159   176.02808
   27    22 S   N    _N3_    24     1.38353   113.64357    38.59963
   28    27 S   H    _HN3    25     1.01587   119.52940    -3.29313
   29    24 S   S    _SG2    35     1.82836   111.08180   -63.94119
   30    27 S   CT   _CA3    26     1.45274   123.25642   177.16303
   31    30 S   HC   HA31    27     1.09552   107.51418   -64.82917
   32    30 S   HC   HA32    28     1.09561   107.98936    51.61929
   33    29 S   CT   _C11    36     1.85739    99.93419   168.21566
   34    33 S   HC   _H4_    37     1.09961   106.17938   -27.68725
   35    30 S   CO3  _C3_    29     1.52970   114.05372   173.63286
   36    35 S   O2Z  _O31    30     1.26384   116.07547    -0.01978
   37    35 S   O2Z  _O32    31     1.26426   114.41246  -179.94766
   38    33 S   CO4  _C12    38     1.53416   102.97184    84.33986
   39    38 S   O    _O33    39     1.22928   122.29243   -86.33164
   40    38 S   OS   _O34    40     1.35815   115.89997    85.41625
   41    40 S   CT   _C13    41     1.45162   120.74690    46.12370
   42    41 S   HC   _H5_    42     1.09949   104.82134    69.90549
   43    41 S   C5BC _C14    43     1.50956   109.43939  -178.11249
   44    41 S   CT   _C5_    51     1.58377   112.46466   -49.15761
   45    43 S   C5BC _C15    44     1.42596   127.98325    33.70944
   46    45 S   HA   _H16    45     1.08092   127.35364     0.84996
   47    44 S   CT   _C6_    52     1.57552   108.88289   170.34374
   48    47 S   HC   _H12    53     1.09783   109.55748    84.24506
   49    47 S   HC   _H13    54     1.09834   110.33744   -30.55401
   50    33 S   CT   _C10    81     1.57883   119.86015  -150.00130
   51    50 S   OM   _O36    82     1.34137   102.89815   176.63396
   52    44 S   CT   _C4_    97     1.55932   107.06578   -71.81319
   53    52 S   HC   _H9_    98     1.09405   112.04010    34.28008
   54    52 S   HC   _H10    99     1.09601   111.55034   -84.22402
   55    52 S   HC   _H11   100     1.08950   113.91838   154.73816
   56    45 S   C5A  _C16    46     1.37433   106.69533  -179.23690
   57    56 S   HA   _H17    47     1.08018   133.81844  -179.76593
   58    47 S   CT   _C7_    55     1.53933   116.60601  -152.47297
   59    58 S   HC   _H14    56     1.09524   109.88232    97.90940
   60    58 S   HC   _H15    57     1.09236   106.52395  -147.50248
   61    56 S   OA   _O35    48     1.35643   110.47204     0.56441
   62    58 S   CT   _C8_    58     1.52332   111.99903   -25.47245
   63    62 S   HC   _H3_    59     1.09352   102.57946   -46.76530
   64    43 S   C5A  _C17    49     1.38216   127.08125  -144.29777
   65    64 S   HA   _H18    50     1.08068   133.39252    -0.83063
   66    62 S   CT   _C21    60     1.57016   117.74941  -156.69448
   67    66 S   CT   _C22    61     1.53687   116.18268   -63.63019
   68    67 S   HC   _H19    62     1.09363   113.30306  -178.59779
   69    67 S   HC   _H20    63     1.08363   114.60698   -59.26458
   70    66 S   CT   _C20    74     1.53866   105.60951   165.31356
   71    70 S   HC   _H7_    75     1.10416   107.59807   -49.79712
   72    67 S   OS   _O38    64     1.43360   111.03300    62.93330
   73    70 S   CO4  _C19    76     1.50839   110.71119    60.58604
   74    73 S   O    _O37    77     1.22666   123.49459   121.25940
   75    72 S   CO4  _C23    65     1.35254   118.52968    57.86710
   76    75 S   O    _O39    66     1.22923   121.20964   163.88203
   77    73 S   CT   _C18    78     1.54649   113.48969   -62.25706
   78    77 S   HC   _H6_    79     1.09260   105.50813   -65.15275
   79    75 S   CT   _C24    67     1.51240   117.79365   -18.33081
   80    79 S   HC   _H21    68     1.09604   107.32376   119.72417
   81    79 S   HC   _H22    69     1.09728   105.36408  -125.52845
   82    62 S   CT   _C9_    80     1.61656   111.74369    66.04725
   83    77 S   OH   _O41    87     1.42068   107.28123   178.83584
   84    83 S   HO   _H29    88     0.97228   107.23571    56.81623
   85    66 S   CT   _C25    70     1.53370   117.15024    58.58277
   86    85 S   HC   _H8_    71     1.09805   112.08604    41.41794
   87    82 S   CT   _C29    83     1.57845   112.38352    78.70546
   88    87 S   HC   _H30    84     1.09481   112.26144   -42.73296
   89    87 S   HC   _H31    85     1.09779   111.38455  -164.40890
   90    87 S   HC   _H32    86     1.09231   112.97332    79.55844
   91    85 S   OS   _O40    72     1.46325   103.63479   155.44794
   92    91 S   CT   _C26    73     1.45550   108.98351   -33.40489
   93    92 S   CT   _C27    89     1.53475   106.72572  -110.82702
   94    93 S   HC   _H23    90     1.09617   110.80312   -63.29410
   95    93 S   HC   _H24    91     1.09376   111.32679   175.75310
   96    93 S   HC   _H25    92     1.09615   111.33196    54.41360
   97    92 S   CT   _C28    93     1.52860   109.37575   132.13051
   98    97 S   HC   _H26    94     1.09617   110.55003    47.30363
   99    97 S   HC   _H27    95     1.09183   112.82696   -71.63019
  100    97 S   HC   _H28    96     1.09512   111.50950   167.48507
  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
  14   7   2   1   1   9   3   9  20   7  11  18   6   4  15   7
   6  18   5   5   2   1   1   4   2  11   5   4   2  22   7   1
   1  21  14   5   4  21   8   6  12   5   7   4   9   4   6   4
   3   7   2   1   5   2   3   2   1   1   9   8   7   3   2   1
   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    82    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    62    77    82    50    51    87    52  
   38    39    40    44    82    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    82    50    51  
   40    41    50  
   41    42    43    45    64    44    47    50    52  
   42    43    45    46    56    61    64    65    44    47    48    49    58    82    50    51    52    53    54    55  
   43    45    64    44    47    50    52  
   45    46    56    57    61    64    65    44    47    50    52  
   47    48    49    58    59    60    62    77    82    50    51    87    52    53    54    55    45    64  
   46    56    57    61    64    65  
   56    57    61    64  
   48    49    58    59    60    62    63    66    82    50    51    52    53    54    55  
   49    58    59    60    62    50    52  
   58    59    60    62    50    52  
   51    87    88    89    90    83    52    53    54    55    58    62    63    66    73    77    78    82  
   87    52    62    77    82  
   53    54    55    58    82  
   54    55  
   55  
    0  
   57    61    64    65  
   61    64  
   59    60    62    63    66    67    85    70    77    82    87  
   60    62    63    66    82  
   62    63    66    82  
   64    65  
   63    66    67    68    69    72    79    85    86    91    92    70    71    73    77    78    82    87    88    89    90    83  
   66    67    85    70    77    82    87  
   65  
    0  
   67    68    69    72    75    79    80    81    85    86    91    92    70    71    73    74    77    82    87    93    97  
   68    69    72    75    76    79    85    86    91    92    70    71    73    82  
   69    72    75    85    70  
   72    75    85    70  
   71    73    74    77    78    82    83    93    94    95    96    97    98    99   100    72    79    85    86    91    92  
   73    74    77    93    97    85    91    92  
   75    76    79    80    81    85  
   74    77    78    82    87    83    84    93    97    85    91    92  
   77    78    82    83    92  
   76    79    80    81    85    86    91  
   79    80    81    85  
   78    82    87    88    89    90    83    84    92  
   82    87    83    84  
   80    81    85    86    91    92  
   81    85    86    91  
   85    86    91  
   87    88    89    90    83    84    85  
   84    87  
    0  
   86    91    92    93    97  
   91    92  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100  
   99   100  
  100  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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
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  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    64   546.000  1.367
   45    46   367.000  1.080
   45    56   546.000  1.367
   56    57   367.000  1.080
   56    61   340.000  1.360
   61    64   340.000  1.360
   64    65   367.000  1.080
   44    47   268.000  1.529
   44    50   268.000  1.529
   44    52   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    82   268.000  1.529
   66    67   268.000  1.529
   66    85   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    91   320.000  1.410
   91    92   320.000  1.410
   92    70   268.000  1.529
   92    93   268.000  1.529
   92    97   268.000  1.529
   70    71   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    77   317.000  1.522
   77    78   340.000  1.090
   77    82   268.000  1.529
   77    83   320.000  1.410
   82    50   268.000  1.529
   82    87   268.000  1.529
   50    51   570.000  1.307
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   83    84   553.000  0.945
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    50    44    58.35000  112.70000
   33    50    82    58.35000  112.70000
   33    50    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    64    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    44    52    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    56    70.00000  107.30000
   43    64    61    70.00000  110.60000
   43    64    65    35.00000  132.10000
   45    56    57    35.00000  132.10000
   45    56    61    70.00000  110.60000
   56    45    46    35.00000  125.70000
   56    61    64    70.00000  106.50000
   61    56    57    35.00000  113.40000
   61    64    65    35.00000  113.40000
   64    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    58    58.35000  112.70000
   44    50    82    58.35000  112.70000
   44    50    51    50.00000  109.50000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   47    58    59    37.50000  110.70000
   47    58    60    37.50000  110.70000
   47    58    62    58.35000  112.70000
   49    47    48    33.00000  107.80000
   58    47    48    37.50000  110.70000
   58    47    49    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    66    58.35000  112.70000
   58    62    82    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    66    67    58.35000  112.70000
   62    66    85    58.35000  112.70000
   62    66    70    58.35000  112.70000
   62    82    77    58.35000  112.70000
   62    82    50    58.35000  112.70000
   62    82    87    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    72    50.00000  109.50000
   66    85    79    58.35000  112.70000
   66    85    86    37.50000  110.70000
   66    85    91    50.00000  109.50000
   66    70    92    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    73    63.00000  111.10000
   67    72    75    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    75    76    83.00000  123.40000
   72    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    85    63.00000  111.10000
   79    75    76    80.00000  120.40000
   79    85    86    37.50000  110.70000
   79    85    91    50.00000  109.50000
   81    79    80    33.00000  107.80000
   85    66    67    58.35000  112.70000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    91    92    60.00000  109.50000
   91    85    86    35.00000  109.50000
   91    92    70    50.00000  109.50000
   91    92    93    50.00000  109.50000
   91    92    97    50.00000  109.50000
   92    70    71    37.50000  110.70000
   92    70    73    63.00000  111.10000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   70    66    67    58.35000  112.70000
   70    66    85    58.35000  112.70000
   70    73    74    80.00000  120.40000
   70    73    77    70.00000  116.00000
   73    70    71    35.00000  109.50000
   73    77    78    35.00000  109.50000
   73    77    82    63.00000  111.10000
   73    77    83    90.00000  109.61100
   77    73    74    80.00000  120.40000
   77    82    50    58.35000  112.70000
   77    82    87    58.35000  112.70000
   77    83    84    55.00000  108.50000
   82    62    63    37.50000  110.70000
   82    62    66    58.35000  112.70000
   82    77    78    37.50000  110.70000
   82    50    51    50.00000  109.50000
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    90    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    47    58.35000  112.70000
   87    82    50    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    82    50.00000  109.50000
   93    92    70    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    92    70    58.35000  112.70000
   97    92    93    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   52    44    47    58.35000  112.70000
   52    44    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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
   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
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
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   82    62    66    85   0.20000  1.0 3.0
   82    62   -66    70   0.56750  1.0 1.0
   82    62   -66    70  -0.07550 -1.0 2.0
   82    62   -66    70   0.20000  1.0 3.0
   82    77    83    84  -0.11600  1.0 1.0
   82    77    83    84  -0.09450 -1.0 2.0
   82    77    83    84   0.21250  1.0 3.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    40   0.36750  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44   -47    58   0.56750  1.0 1.0
   50    44   -47    58  -0.07550 -1.0 2.0
   50    44   -47    58   0.20000  1.0 3.0
   50    44    52    53   0.15000  1.0 3.0
   50    44    52    54   0.15000  1.0 3.0
   50    44    52    55   0.15000  1.0 3.0
   50    82    87    88   0.15000  1.0 3.0
   50    82    87    89   0.15000  1.0 3.0
   50    82    87    90   0.15000  1.0 3.0
   87    82    50    33   0.56750  1.0 1.0
   87    82    50    33  -0.07550 -1.0 2.0
   87    82    50    33   0.20000  1.0 3.0
   87    82    50    44   0.56750  1.0 1.0
   87    82    50    44  -0.07550 -1.0 2.0
   87    82    50    44   0.20000  1.0 3.0
   87    82    50    51   0.62750  1.0 1.0
   87    82    50    51  -0.30950 -1.0 2.0
   87    82    50    51   0.27300  1.0 3.0
   83    77    82    62   0.86500  1.0 1.0
   83    77    82    62  -0.17500 -1.0 2.0
   83    77    82    62   0.20800  1.0 3.0
   83    77    82    50   0.86500  1.0 1.0
   83    77    82    50  -0.17500 -1.0 2.0
   83    77    82    50   0.20800  1.0 3.0
   83    77    82    87   0.86500  1.0 1.0
   83    77    82    87  -0.17500 -1.0 2.0
   83    77    82    87   0.20800  1.0 3.0
   93    92    70    66   0.56750  1.0 1.0
   93    92    70    66  -0.07550 -1.0 2.0
   93    92    70    66   0.20000  1.0 3.0
   93    92    70    71   0.15000  1.0 3.0
   93    92    70    73  -0.95700  1.0 1.0
   93    92    70    73  -0.18200 -1.0 2.0
   93    92    70    73   0.29450  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   97    92    70    66   0.56750  1.0 1.0
   97    92    70    66  -0.07550 -1.0 2.0
   97    92    70    66   0.20000  1.0 3.0
   97    92    70    71   0.15000  1.0 3.0
   97    92    70    73  -0.95700  1.0 1.0
   97    92    70    73  -0.18200 -1.0 2.0
   97    92    70    73   0.29450  1.0 3.0
   97    92    93    94   0.15000  1.0 3.0
   97    92    93    95   0.15000  1.0 3.0
   97    92    93    96   0.15000  1.0 3.0
   52    44    47    48   0.15000  1.0 3.0
   52    44    47    49   0.15000  1.0 3.0
   52    44    47    58   0.56750  1.0 1.0
   52    44    47    58  -0.07550 -1.0 2.0
   52    44    47    58   0.20000  1.0 3.0
   52    44    50    33   0.56750  1.0 1.0
   52    44    50    33  -0.07550 -1.0 2.0
   52    44    50    33   0.20000  1.0 3.0
   52    44    50    82   0.56750  1.0 1.0
   52    44    50    82  -0.07550 -1.0 2.0
   52    44    50    82   0.20000  1.0 3.0
   52    44    50    51   0.62750  1.0 1.0
   52    44    50    51  -0.30950 -1.0 2.0
   52    44    50    51   0.27300  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    40    38    39  10.50000 -1.0 2.0
   45    64    43    41   4.00000 -1.0 2.0
   56    46    45    43   1.10000 -1.0 2.0
   61    57    56    45   1.10000 -1.0 2.0
   61    65    64    43   1.10000 -1.0 2.0
   72    79    75    76  10.50000 -1.0 2.0
   70    77    73    74  10.50000 -1.0 2.0
END
