* LIGAND DATABASE FILE (OPLS2005)
*
001      79    84    148    256     444
    1     0 S   NP   _N1_     1    28.79561    96.51825   -21.88088
    2     1 S   H    _HN1     2     1.02791    98.81365   -95.44063
    3     1 S   H    _H1_     3     1.02948    72.83937    11.11718
    4     1 S   H    _H2_     4     1.02830    40.74151   157.37433
    5     1 S   CT   _CA1     5     1.50117   144.92718   112.44567
    6     5 S   HC   _HA1     6     1.09588   105.15145    88.89031
    7     5 S   CO3  _C1_     7     1.53715   112.28816   -31.10243
    8     7 S   O2Z  _O11     8     1.26340   115.08622   -47.95258
    9     7 S   O2Z  _O12     9     1.26244   114.88888   130.90281
   10     5 S   CT   _CB1    10     1.53055   107.35876  -153.47180
   11    10 S   HC   HB11    11     1.09834   109.14070   -51.69068
   12    10 S   HC   HB12    12     1.09809   110.56632    64.83176
   13    10 S   CT   _CG1    13     1.52984   112.65853  -172.75676
   14    13 S   HC   HG11    14     1.09507   110.41245   -68.80243
   15    13 S   HC   HG12    15     1.09665   109.88833    50.45088
   16    13 S   C    _CD1    16     1.51811   112.14153   170.94423
   17    16 S   O    _OE1    17     1.22747   123.21828     8.69464
   18    16 S   N    _N2_    18     1.38637   111.80012  -171.26311
   19    18 S   H    _HN2    19     1.01599   118.94484     0.55708
   20    18 S   CT1  _CA2    20     1.46329   123.33970   176.79668
   21    20 S   HC   _HA2    21     1.09727   109.40864     2.76612
   22    20 S   C    _C2_    22     1.53519   108.57633  -112.82623
   23    22 S   O    _O2_    23     1.23060   122.24969  -148.11488
   24    20 S   CT   _CB2    32     1.53275   111.47120   124.86918
   25    24 S   HC   HB21    33     1.09534   109.45595    57.06691
   26    24 S   HC   HB22    34     1.09474   110.72598   175.91361
   27    22 S   N    _N3_    24     1.38316   113.71337    39.26185
   28    27 S   H    _HN3    25     1.01584   119.55647    -3.22786
   29    24 S   S    _SG2    35     1.82655   111.17010   -64.10788
   30    27 S   CT   _CA3    26     1.45280   123.26343   177.23063
   31    30 S   HC   HA31    27     1.09546   107.50707   -64.94240
   32    30 S   HC   HA32    28     1.09555   107.99717    51.50923
   33    29 S   CT   _C27    36     1.85693    99.64468   161.02357
   34    33 S   HC   _H6_    37     1.08105   107.05987   -30.11615
   35    30 S   CO3  _C3_    29     1.52968   114.05067   173.51950
   36    35 S   O2Z  _O31    30     1.26379   116.06458    -0.25641
   37    35 S   O2Z  _O32    31     1.26423   114.41742   179.80617
   38    33 S   CA   _C18    38     1.54110   108.31961  -148.21174
   39    38 S   CA   _C17    39     1.46596   121.35568    63.96795
   40    38 S   CA   _C19    65     1.41444   117.13219  -105.01380
   41    39 S   CA   _C7_    40     1.45449   127.61490    23.59288
   42    40 S   CT   _C24    66     1.51048   123.59549   -16.96713
   43    42 S   HC   _H3_    67     1.09752   109.19514   152.21473
   44    39 S   CR3  _C16    78     1.42093   116.23937  -154.31649
   45    41 S   CA   _C6_    41     1.41913   123.12886    21.91590
   46    45 S   HA   _H9_    42     1.08460   120.65398    11.16878
   47    42 S   CT   _C25    68     1.52785   113.63447    31.07683
   48    47 S   HC   _H4_    69     1.09730   109.11521  -167.05332
   49    42 S   OH   _O35    76     1.42628   106.99273   -91.88486
   50    49 S   HO   _H19    77     0.97196   107.87440   177.14570
   51    65 S   CR3  _C15    79     1.41331   119.09263    -2.19508
   52    45 S   CA   _C5_    43     1.39488   124.03459  -173.84932
   53    52 S   HA   _H8_    44     1.08557   120.24844   178.68121
   54    33 S   CT   _C26    70     1.54527   110.27343    83.08352
   55    54 S   HC   _H5_    71     1.09692   110.27404   -37.24436
   56    47 S   OH   _O34    74     1.42518   110.21243    75.43184
   57    56 S   HO   _H18    75     0.97237   107.88856    59.72681
   58    52 S   CA   _C4_    45     1.37456   119.18179    -2.59239
   59    58 S   HA   _H7_    46     1.08533   120.75919   179.76593
   60    54 S   OH   _O33    72     1.43361   109.13751  -152.79347
   61    60 S   HO   _H17    73     0.97249   107.77204    63.15344
   62    58 S   CA   _C9_    47     1.39063   118.77955    -3.90505
   63    62 S   HA   _H10    48     1.08653   115.54181  -175.55882
   64    41 S   CA   _C8_    49     1.42343   121.05249  -162.01137
   65    64 S   CA   _C10    50     1.42617   119.68617    -9.31439
   66    65 S   CA   _C11    51     1.42018   123.63259  -179.21865
   67    66 S   HA   _H11    52     1.08647   121.58018    -4.00189
   68    66 S   CA   _C12    53     1.39225   122.67316   175.40842
   69    68 S   HA   _H12    54     1.08600   120.03741  -179.82417
   70    68 S   CA   _C13    55     1.38210   119.59948    -0.41965
   71    70 S   HA   _H13    56     1.08766   118.84527  -179.30988
   72    70 S   CA   _C14    57     1.39597   120.01913     1.41748
   73    72 S   CA   _C23    58     1.39243   118.81496   179.42155
   74    73 S   HA   _H16    59     1.08788   121.09295     1.21724
   75    73 S   CA   _C22    60     1.38560   120.16181  -177.83689
   76    75 S   HA   _H15    61     1.08839   118.42222   178.86288
   77    75 S   CA   _C21    62     1.39670   120.58835     0.84441
   78    77 S   CA   _C20    63     1.38810   118.27527   176.18936
   79    78 S   HA   _H14    64     1.08968   119.84009     3.13232
  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
  15   7   2   1   1  17  16  14  13  13   7  13   8   4  10   6
   4   1  14   6   3   5   3   2   1   5   3   1   1   4   2   5
   8   6   3   5   3   5   2   5   5   3   4   2   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    78    40    42    47    48    54    55    60    61    56    44  
   38    39    40    47    54    55    60  
   36    37  
   37  
    0  
   39    41    45    64    77    78    79    40    42    43    47    54    55    60    49    44    51  
   41    45    46    52    62    64    65    72    75    77    78    40    42    54    44    51  
   42    43    47    48    54    56    49    50    44    41    75    77    78    79  
   45    46    52    53    58    62    63    64    65    66    77    44    51  
   43    47    48    54    55    60    56    57    49    50    77    78    79  
   47    48    54    56    49    50    78  
   51    45    64    65    66    70    72    73    75    76    77    78    79  
   46    52    53    58    59    62    64    65  
   52    53    58    64  
   48    54    55    60    61    56    57    49    50    78  
   54    55    60    56    57    49  
   50    54    56    78  
    0  
   62    64    65    66    67    68    70    71    72    73    74    75    77    78  
   53    58    59    62    63    64  
   58    59    62  
   55    60    61    56    57  
   60    61    56  
   57    60  
    0  
   59    62    63    64    65  
   62    63    64  
   61  
    0  
   63    64    65    66  
   64    65  
   65    66    67    68    72  
   66    67    68    69    70    72    73    77  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74    75  
   72    73  
   73    74    75    76    77  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   78    79  
   79  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    54   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   375.000  1.464
   39    44   490.000  1.398
   41    45   469.000  1.400
   41    64   469.000  1.400
   45    46   367.000  1.080
   45    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   375.000  1.464
   65    66   469.000  1.400
   65    51   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    51   490.000  1.398
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    44   490.000  1.398
   78    79   367.000  1.080
   78    40   469.000  1.400
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    56   320.000  1.410
   54    55   340.000  1.090
   54    60   320.000  1.410
   60    61   553.000  0.945
   56    57   553.000  0.945
   49    50   553.000  0.945
   44    51   490.000  1.398
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    80.00000  109.48900
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    60    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    41    60.00000  122.76000
   38    39    44    70.00000  112.88000
   38    40    78    63.00000  120.00000
   38    40    42    70.00000  120.00000
   39    41    45    60.00000  122.76000
   39    41    64    60.00000  122.76000
   39    44    77    60.00000  130.80000
   39    44    51    60.00000  130.80000
   41    45    46    35.00000  120.00000
   41    45    52    63.00000  120.00000
   41    64    62    63.00000  120.00000
   41    64    65    60.00000  122.76000
   45    52    53    35.00000  120.00000
   45    52    58    63.00000  120.00000
   52    45    46    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    62    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    64    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    64    65    60.00000  122.76000
   64    41    45    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    60.00000  122.76000
   64    65    51    60.00000  122.76000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    51    72    60.00000  130.80000
   65    51    44    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    51    70.00000  112.88000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    51    44    60.00000  130.80000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    44    70.00000  112.88000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    40    63.00000  120.00000
   77    44    51    60.00000  130.80000
   78    40    42    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    78    79    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    47    70.00000  112.17500
   40    42    49    90.00000  112.51600
   42    47    48    37.50000  110.70000
   42    47    54    58.35000  112.70000
   42    47    56    50.00000  109.50000
   42    49    50    55.00000  108.50000
   47    42    43    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    60    50.00000  109.50000
   47    56    57    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.17500
   54    47    48    37.50000  110.70000
   54    60    61    55.00000  108.50000
   60    54    55    35.00000  109.50000
   56    47    48    35.00000  109.50000
   56    47    54    50.00000  109.50000
   49    42    43    35.00000  109.50000
   49    42    47    50.00000  109.50000
   44    39    41    60.00000  122.76000
   44    77    78    70.00000  112.88000
   51    65    66    70.00000  112.88000
   51    72    73    70.00000  112.88000
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
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.56750  1.0 1.0
   29    33    54    60  -0.07550 -1.0 2.0
   29    33    54    60   0.20000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    44   3.62500 -1.0 2.0
   33    38    40    78   3.62500 -1.0 2.0
   33    38    40    42   3.62500 -1.0 2.0
   33    54    60    61  -0.11600  1.0 1.0
   33    54    60    61  -0.09450 -1.0 2.0
   33    54    60    61   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    60   0.23400  1.0 3.0
   38    33    54    47  -0.03700  1.0 1.0
   38    33    54    47   0.37200 -1.0 2.0
   38    33    54    47  -0.47300  1.0 3.0
   38    33    54    55   0.43200  1.0 3.0
   38    33    54    60   1.13150  1.0 1.0
   38    33    54    60  -1.01400 -1.0 2.0
   38    39    41    45  -0.19450  1.0 1.0
   38    39    41    45   0.63300 -1.0 2.0
   38    39    41    45   0.07450  1.0 3.0
   38    39    41    64  -0.19450  1.0 1.0
   38    39    41    64   0.63300 -1.0 2.0
   38    39    41    64   0.07450  1.0 3.0
   38    39    44    77   3.62500 -1.0 2.0
   38    39    44    51   3.62500 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    47   0.04150 -1.0 2.0
   38    40    42    49   0.14300 -1.0 2.0
   38    40    42    49   0.00300  1.0 3.0
   39    38    40    78   3.62500 -1.0 2.0
   39    38    40    42   3.62500 -1.0 2.0
   39    41    45    46   3.62500 -1.0 2.0
   39    41    45    52   3.62500 -1.0 2.0
   39    41    64    62   3.62500 -1.0 2.0
   39    41    64    65   3.62500 -1.0 2.0
   39    44   -51    65   3.62500 -1.0 2.0
   39    44    51    72   3.62500 -1.0 2.0
   41    39    44    77   3.62500 -1.0 2.0
   41    39    44    51   3.62500 -1.0 2.0
   41    45    52    53   3.62500 -1.0 2.0
   41    45    52    58   3.62500 -1.0 2.0
   41    64    65    66  -0.19450  1.0 1.0
   41    64    65    66   0.63300 -1.0 2.0
   41    64    65    66   0.07450  1.0 3.0
   41    64   -65    51  -0.19450  1.0 1.0
   41    64   -65    51   0.63300 -1.0 2.0
   41    64   -65    51   0.07450  1.0 3.0
   45    41    64    62   3.62500 -1.0 2.0
   45    41    64    65   3.62500 -1.0 2.0
   45    52    58    59   3.62500 -1.0 2.0
   45    52   -58    62   3.62500 -1.0 2.0
   46    45    52    53   3.62500 -1.0 2.0
   46    45    52    58   3.62500 -1.0 2.0
   52    58    62    63   3.62500 -1.0 2.0
   52    58    62    64   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    62   3.62500 -1.0 2.0
   58    62   -64    41   3.62500 -1.0 2.0
   58    62    64    65   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    64   3.62500 -1.0 2.0
   62    64    65    66  -0.19450  1.0 1.0
   62    64    65    66   0.63300 -1.0 2.0
   62    64    65    66   0.07450  1.0 3.0
   62    64    65    51  -0.19450  1.0 1.0
   62    64    65    51   0.63300 -1.0 2.0
   62    64    65    51   0.07450  1.0 3.0
   63    62    64    41   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    41    45    46   3.62500 -1.0 2.0
   64    41   -45    52   3.62500 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    68   3.62500 -1.0 2.0
   64    65    51    72   3.62500 -1.0 2.0
   64    65    51    44   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    51    72   3.62500 -1.0 2.0
   66    65    51    44   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    51   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72   -51    65   3.62500 -1.0 2.0
   70    72    51    44   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    51   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    51    65   3.62500 -1.0 2.0
   73    72    51    44   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    44   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    78    40   3.62500 -1.0 2.0
   75    77    44    39   3.62500 -1.0 2.0
   75    77    44    51   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    44   3.62500 -1.0 2.0
   77    78   -40    38   3.62500 -1.0 2.0
   77    78    40    42   3.62500 -1.0 2.0
   77    44    51    65   3.62500 -1.0 2.0
   77    44   -51    72   3.62500 -1.0 2.0
   78    77   -44    39   3.62500 -1.0 2.0
   78    77    44    51   3.62500 -1.0 2.0
   78    40    42    43   0.00000  1.0 1.0
   78    40    42    47   0.04150 -1.0 2.0
   78    40    42    49   0.14300 -1.0 2.0
   78    40    42    49   0.00300  1.0 3.0
   79    78    40    38   3.62500 -1.0 2.0
   79    78    40    42   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38    39    44   3.62500 -1.0 2.0
   40    42    47    48   0.43200  1.0 3.0
   40    42    47    54  -0.03700  1.0 1.0
   40    42    47    54   0.37200 -1.0 2.0
   40    42    47    54  -0.47300  1.0 3.0
   40    42    47    56   1.13150  1.0 1.0
   40    42    47    56  -1.01400 -1.0 2.0
   40    42    49    50   0.31900  1.0 1.0
   40    42    49    50  -0.11800 -1.0 2.0
   40    42    49    50   0.38750  1.0 3.0
   42    47   -54    33   0.56750  1.0 1.0
   42    47   -54    33  -0.07550 -1.0 2.0
   42    47   -54    33   0.20000  1.0 3.0
   42    47    54    55   0.15000  1.0 3.0
   42    47    54    60   0.86500  1.0 1.0
   42    47    54    60  -0.17500 -1.0 2.0
   42    47    54    60   0.20800  1.0 3.0
   42    47    56    57  -0.11600  1.0 1.0
   42    47    56    57  -0.09450 -1.0 2.0
   42    47    56    57   0.21250  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    54   0.15000  1.0 3.0
   43    42    47    56   0.23400  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   47    42    49    50  -0.11600  1.0 1.0
   47    42    49    50  -0.09450 -1.0 2.0
   47    42    49    50   0.21250  1.0 3.0
   47    54    60    61  -0.11600  1.0 1.0
   47    54    60    61  -0.09450 -1.0 2.0
   47    54    60    61   0.21250  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    60   0.23400  1.0 3.0
   48    47    56    57   0.19450  1.0 3.0
   54    33    38    39   0.04150 -1.0 2.0
   54    33   -38    40   0.04150 -1.0 2.0
   54    47    56    57  -0.11600  1.0 1.0
   54    47    56    57  -0.09450 -1.0 2.0
   54    47    56    57   0.21250  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   56    47    54    33   0.86500  1.0 1.0
   56    47    54    33  -0.17500 -1.0 2.0
   56    47    54    33   0.20800  1.0 3.0
   56    47    54    55   0.23400  1.0 3.0
   56    47    54    60   3.75450  1.0 1.0
   49    42    47    48   0.23400  1.0 3.0
   49    42    47    54   0.86500  1.0 1.0
   49    42    47    54  -0.17500 -1.0 2.0
   49    42    47    54   0.20800  1.0 3.0
   49    42    47    56   3.75450  1.0 1.0
   44    39    41    45  -0.19450  1.0 1.0
   44    39    41    45   0.63300 -1.0 2.0
   44    39    41    45   0.07450  1.0 3.0
   44    39   -41    64  -0.19450  1.0 1.0
   44    39   -41    64   0.63300 -1.0 2.0
   44    39   -41    64   0.07450  1.0 3.0
   44    77    78    79   3.62500 -1.0 2.0
   44    77   -78    40   3.62500 -1.0 2.0
   51    65    66    67   3.62500 -1.0 2.0
   51    65   -66    68   3.62500 -1.0 2.0
   51    72    73    74   3.62500 -1.0 2.0
   51    72   -73    75   3.62500 -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
   39    40    38    33   4.00000 -1.0 2.0
   41    44    39    38   4.00000 -1.0 2.0
   45    64    41    39   4.00000 -1.0 2.0
   52    46    45    41   1.10000 -1.0 2.0
   58    53    52    45   1.10000 -1.0 2.0
   62    59    58    52   1.10000 -1.0 2.0
   64    63    62    58   1.10000 -1.0 2.0
   62    65    64    41   4.00000 -1.0 2.0
   66    51    65    64   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    51    72    70   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    44    77    75   4.00000 -1.0 2.0
   40    79    78    77   1.10000 -1.0 2.0
   78    42    40    38   4.00000 -1.0 2.0
   77    51    44    39   4.00000 -1.0 2.0
   72    44    51    65   4.00000 -1.0 2.0
END
