* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    139    215     404
    1     0 S   NP   _N1_     1    28.80918    97.25859   -23.47657
    2     1 S   H    _HN1     2     1.02949    66.94212    10.03856
    3     1 S   H    _H1_     3     1.02828    42.53823   169.49286
    4     1 S   H    _H2_     4     1.02790   107.55388   -92.93532
    5     1 S   CT   _CA1     5     1.50125   138.29295   105.31391
    6     5 S   HC   _HA1     6     1.09575   105.17022    99.87069
    7     5 S   CO3  _C1_     7     1.53778   112.43852   -20.32068
    8     7 S   O2Z  _O11     8     1.26374   115.00698   -42.94969
    9     7 S   O2Z  _O12     9     1.26238   114.94369   136.05802
   10     5 S   CT   _CB1    10     1.53063   107.39862  -142.18697
   11    10 S   HC   HB11    11     1.09837   109.33257   -49.62552
   12    10 S   HC   HB12    12     1.09811   110.47565    66.97353
   13    10 S   CT   _CG1    13     1.52999   112.62427  -170.58449
   14    13 S   HC   HG11    14     1.09579   110.66394   -66.61214
   15    13 S   HC   HG12    15     1.09671   109.75558    52.62817
   16    13 S   C    _CD1    16     1.51812   112.12082   173.06121
   17    16 S   O    _OE1    17     1.22747   123.23777     8.95603
   18    16 S   N    _N2_    18     1.38631   111.73289  -171.01384
   19    18 S   H    _HN2    19     1.01574   119.02184     1.18465
   20    18 S   CT1  _CA2    20     1.46241   123.44755   177.39714
   21    20 S   HC   _HA2    21     1.09740   109.28248     6.46144
   22    20 S   C    _C2_    22     1.53654   108.93502  -109.07117
   23    22 S   O    _O2_    23     1.23085   122.24353  -149.64810
   24    20 S   CT   _CB2    32     1.53441   111.51867   128.42518
   25    24 S   HC   HB21    33     1.09517   109.58184    56.80663
   26    24 S   HC   HB22    34     1.09455   109.74955   175.68707
   27    22 S   N    _N3_    24     1.38320   113.87519    37.90396
   28    27 S   H    _HN3    25     1.01551   119.59872    -3.32696
   29    24 S   S    _SG2    35     1.83470   110.96489   -64.67929
   30    27 S   CT   _CA3    26     1.45275   123.23962   177.14981
   31    30 S   HC   HA31    27     1.09549   107.51924   -64.61883
   32    30 S   HC   HA32    28     1.09558   107.98442    51.82619
   33    29 S   CT   _C14    36     1.85968   102.30898   173.63970
   34    33 S   OM   _O36    37     1.32072   109.40784   -62.11872
   35    30 S   CO3  _C3_    29     1.52965   114.07257   173.83595
   36    35 S   O2Z  _O31    30     1.26379   116.08940    -0.05935
   37    35 S   O2Z  _O32    31     1.26428   114.40948   180.00000
   38    33 S   CM   _C13    38     1.50954   108.62593    54.84414
   39    38 S   HC   _H8_    39     1.08957   119.99915   -91.32361
   40    38 S   CM   _C12    40     1.33767   121.56987    93.71394
   41    40 S   CT   _C11    41     1.50796   125.56800    -2.17978
   42    41 S   CA   _C9_    42     1.51246    99.36017   157.02846
   43    41 S   CO4  _C16    63     1.51913   108.04017    35.71803
   44    43 S   O    _O34    64     1.23625   120.71355   147.69491
   45    41 S   CT   _C19    73     1.53267   113.05353   -86.95925
   46    45 S   HC   _H12    74     1.09206   112.39310    71.17563
   47    45 S   HC   _H13    75     1.09683   111.86267   -50.07959
   48    45 S   HC   _H14    76     1.09639   111.29281  -170.05576
   49    42 S   CA   _C8_    43     1.40292   108.63316     9.76781
   50    33 S   CT   _C15    65     1.57707   112.93501   178.29154
   51    50 S   HC   _H3_    66     1.10541   108.57141   153.23096
   52    49 S   CA   _C7_    44     1.38648   122.74273   175.80964
   53    40 S   OS   _O37    62     1.38976   122.21495   167.76712
   54    50 S   CO4  _C17    67     1.53818   114.20692    36.31822
   55    54 S   O    _O35    68     1.23283   121.81547  -101.92357
   56    52 S   CA   _C6_    45     1.40593   117.09989    -0.98238
   57    52 S   CO4  _C20    56     1.48644   121.79006   179.94405
   58    57 S   O    _O38    57     1.22917   119.32576   147.39695
   59    54 S   CT   _C18    69     1.50810   117.67672    77.19023
   60    59 S   HC   _H9_    70     1.09279   109.98420    45.69454
   61    59 S   HC   _H10    71     1.09165   110.16459   -76.18735
   62    59 S   HC   _H11    72     1.09394   109.32862   164.18883
   63    56 S   CA   _C5_    46     1.41626   121.60549     2.05195
   64    56 S   OH   _O39    54     1.37425   121.52805  -178.38857
   65    64 S   HO   _H18    55     0.97345   109.26670     7.90617
   66    57 S   CT   _C21    58     1.50604   119.44821   -33.20842
   67    66 S   HC   _H15    59     1.09251   109.90198    91.59636
   68    66 S   HC   _H16    60     1.09324   111.19020   -31.21095
   69    66 S   HC   _H17    61     1.09449   108.82060  -148.94202
   70    42 S   CA   _C10    47     1.38850   131.60640  -175.25798
   71    63 S   CT   _C4_    50     1.50712   120.23960  -179.25796
   72    71 S   HC   _H4_    51     1.09434   109.83479    83.73190
   73    71 S   HC   _H5_    52     1.09466   111.73843  -155.49830
   74    71 S   HC   _H6_    53     1.09496   111.20513   -37.09183
   75    70 S   OH   _O33    48     1.36612   121.64628     4.00482
   76    75 S   HO   _H7_    49     0.97309   109.01462    15.72455
  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
  13   7   2   1   1  11   4  13  16  17  13   4   7   2   1   1
  10   7   3  13   3   5   4  12   7   4   3   2   1   1   9   3
   1   3   2   1   1   6   4   2   1   1   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    43    50    51    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    50    51    54    55    59  
   38    39    40    43    50    51    54  
   36    37  
   37  
    0  
   39    40    41    42    49    53    43    50    51    54    45  
   40    41    53    50  
   41    42    49    52    70    53    43    44    50    45    46    47    48  
   42    49    52    63    70    75    53    43    44    50    51    54    45    46    47    48  
   49    52    56    63    70    75    76    71    57    53    43    44    50    45    46    47    48  
   44    50    51    54    55    59    45    46    47    48    49    53    70  
   50    51    54    45  
   46    47    48    49    50    53    70  
   47    48  
   48  
    0  
   52    56    63    70    75    64    57    58    66    53  
   51    54    55    59    60    61    62  
   54    55    59  
   56    63    70    71    64    65    57    58    66    67    68    69    53  
   56    57    70  
   55    59    60    61    62  
   59    60    61    62  
   63    70    75    71    72    73    74    64    65    57    58    66  
   58    66    67    68    69    63    64  
   66    67    68    69  
   60    61    62  
   61    62  
   62  
    0  
   70    75    76    71    72    73    74    64    65  
   65    70    71  
    0  
   67    68    69  
   68    69  
   69  
    0  
   75    76    71    72    73    74  
   72    73    74    75  
   73    74  
   74  
    0  
   76  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    50   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    53   440.000  1.360
   41    42   317.000  1.510
   41    43   317.000  1.522
   41    45   268.000  1.529
   42    49   469.000  1.400
   42    70   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    56   469.000  1.400
   52    57   310.000  1.470
   56    63   469.000  1.400
   56    64   450.000  1.364
   63    70   469.000  1.400
   63    71   317.000  1.510
   70    75   450.000  1.364
   75    76   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   64    65   553.000  0.945
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    54   317.000  1.522
   54    55   570.000  1.229
   54    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    50    43    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    54    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    40    41    70.00000  124.00000
   38    40    53    80.00000  120.01400
   40    38    39    35.00000  120.00000
   40    41    42    70.00000  112.99600
   40    41    43    70.00000  109.06800
   40    41    45    70.00000  112.02700
   40    53    49    90.00000  114.30300
   41    42    49    70.00000  120.00000
   41    42    70    70.00000  120.00000
   41    43    44    80.00000  120.40000
   41    43    50    70.00000  116.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    52    63.00000  120.00000
   42    49    53    70.00000  120.00000
   42    70    63    63.00000  120.00000
   42    70    75    70.00000  120.00000
   49    52    56    63.00000  120.00000
   49    52    57    60.00000  119.52600
   52    56    63    63.00000  120.00000
   52    56    64    70.00000  120.00000
   52    57    58    75.00000  123.78400
   52    57    66    65.00000  115.47100
   56    63    70    63.00000  120.00000
   56    63    71    70.00000  120.00000
   56    64    65    35.00000  113.00000
   63    70    75    70.00000  120.00000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   70    42    49    63.00000  120.00000
   70    75    76    35.00000  113.00000
   71    63    70    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   64    56    63    70.00000  120.00000
   57    52    56    60.00000  119.52600
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   66    57    58    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    40    41    85.00000  112.85300
   53    49    52    70.00000  120.00000
   43    41    42    70.00000  110.93000
   43    50    51    35.00000  109.50000
   43    50    54    75.00000  107.99600
   50    33    34    50.00000  109.50000
   50    33    38    70.00000  112.02700
   50    43    44    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    59    70.00000  116.00000
   54    50    51    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   59    54    55    80.00000  120.40000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   45    41    42    70.00000  112.17500
   45    41    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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
   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    43   0.56750  1.0 1.0
   29    33    50    43  -0.07550 -1.0 2.0
   29    33    50    43   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    53   7.00000 -1.0 2.0
   33    50    54    55   0.30150 -1.0 2.0
   33    50    54    59   0.60050  1.0 1.0
   33    50    54    59   0.05600 -1.0 2.0
   33    50    54    59   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    50    43  -0.09450  1.0 1.0
   34    33    50    43  -1.12950 -1.0 2.0
   34    33    50    43   0.54000  1.0 3.0
   34    33    50    51   0.23400  1.0 3.0
   34    33    50    54  -0.09450  1.0 1.0
   34    33    50    54  -1.12950 -1.0 2.0
   34    33    50    54   0.54000  1.0 3.0
   38    33    50    43  -0.98800  1.0 1.0
   38    33    50    43   0.48800 -1.0 2.0
   38    33    50    43   0.76800  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54  -0.98800  1.0 1.0
   38    33    50    54   0.48800 -1.0 2.0
   38    33    50    54   0.76800  1.0 3.0
   38    40    41    42   1.44450  1.0 1.0
   38    40    41    42   0.06600 -1.0 2.0
   38    40    41    42   0.29250  1.0 3.0
   38    40   -41    43  -0.51250  1.0 1.0
   38    40   -41    43  -0.88800 -1.0 2.0
   38    40   -41    43   0.08850  1.0 3.0
   38    40    41    45   0.09850  1.0 1.0
   38    40    41    45   0.15250 -1.0 2.0
   38    40    41    45  -0.50650  1.0 3.0
   38    40    53    49   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    53   7.00000 -1.0 2.0
   40    41   -42    49   0.18050 -1.0 2.0
   40    41    42    70   0.18050 -1.0 2.0
   40    41    43    44   0.30150 -1.0 2.0
   40    41    43    50   0.65300  1.0 1.0
   40    41    43    50  -0.03850 -1.0 2.0
   40    41    43    50   0.33900  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    47   0.15000  1.0 3.0
   40    41    45    48   0.15000  1.0 3.0
   41    40   -53    49   2.00000 -1.0 2.0
   41    42    49    52   3.62500 -1.0 2.0
   41    42   -49    53   3.62500 -1.0 2.0
   41    42    70    63   3.62500 -1.0 2.0
   41    42    70    75   3.62500 -1.0 2.0
   41    43   -50    33   0.60050  1.0 1.0
   41    43   -50    33   0.05600 -1.0 2.0
   41    43   -50    33   0.26150  1.0 3.0
   41    43    50    51   0.00000  1.0 1.0
   41    43    50    54   0.65300  1.0 1.0
   41    43    50    54  -0.03850 -1.0 2.0
   41    43    50    54   0.33900  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    50   0.65300  1.0 1.0
   42    41    43    50  -0.03850 -1.0 2.0
   42    41    43    50   0.33900  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    47   0.43200  1.0 3.0
   42    41    45    48   0.43200  1.0 3.0
   42    49    52    56   3.62500 -1.0 2.0
   42    49    52    57   3.62500 -1.0 2.0
   42    49   -53    40   0.00000  1.0 1.0
   42    70    75    76   0.84100 -1.0 2.0
   49    42    70    63   3.62500 -1.0 2.0
   49    42    70    75   3.62500 -1.0 2.0
   49    52   -56    63   3.62500 -1.0 2.0
   49    52    56    64   3.62500 -1.0 2.0
   49    52    57    58   1.05000 -1.0 2.0
   49    52    57    66   2.26350  1.0 1.0
   49    52    57    66   0.76750 -1.0 2.0
   49    52    57    66   0.22500  1.0 3.0
   52    49    53    40   0.00000  1.0 1.0
   52    56    63    70   3.62500 -1.0 2.0
   52    56    63    71   3.62500 -1.0 2.0
   52    56    64    65   0.84100 -1.0 2.0
   52    57    66    67   0.00000  1.0 1.0
   52    57    66    68   0.00000  1.0 1.0
   52    57    66    69   0.00000  1.0 1.0
   56    52    57    58   1.05000 -1.0 2.0
   56    52    57    66   2.26350  1.0 1.0
   56    52    57    66   0.76750 -1.0 2.0
   56    52    57    66   0.22500  1.0 3.0
   56    63   -70    42   3.62500 -1.0 2.0
   56    63    70    75   3.62500 -1.0 2.0
   56    63    71    72   0.00000  1.0 1.0
   56    63    71    73   0.00000  1.0 1.0
   56    63    71    74   0.00000  1.0 1.0
   63    56    64    65   0.84100 -1.0 2.0
   63    70    75    76   0.84100 -1.0 2.0
   70    42   -49    52   3.62500 -1.0 2.0
   70    42    49    53   3.62500 -1.0 2.0
   70    63    71    72   0.00000  1.0 1.0
   70    63    71    73   0.00000  1.0 1.0
   70    63    71    74   0.00000  1.0 1.0
   71    63    70    42   3.62500 -1.0 2.0
   71    63    70    75   3.62500 -1.0 2.0
   64    56    63    70   3.62500 -1.0 2.0
   64    56    63    71   3.62500 -1.0 2.0
   57    52    56    63   3.62500 -1.0 2.0
   57    52    56    64   3.62500 -1.0 2.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   58    57    66    69   0.00000  1.0 1.0
   53    40   -41    42   0.09700  1.0 1.0
   53    40   -41    42   0.15600 -1.0 2.0
   53    40   -41    42  -0.50800  1.0 3.0
   53    40    41    43   0.09700  1.0 1.0
   53    40    41    43   0.15600 -1.0 2.0
   53    40    41    43  -0.50800  1.0 3.0
   53    40    41    45   0.09700  1.0 1.0
   53    40    41    45   0.15600 -1.0 2.0
   53    40    41    45  -0.50800  1.0 3.0
   53    49    52    56   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   43    41    42    49   0.04300 -1.0 2.0
   43    41    42    70   0.04300 -1.0 2.0
   43    41    45    46  -0.11250  1.0 3.0
   43    41    45    47  -0.11250  1.0 3.0
   43    41    45    48  -0.11250  1.0 3.0
   43    50    54    55   0.30150 -1.0 2.0
   43    50    54    59   0.65300  1.0 1.0
   43    50    54    59  -0.03850 -1.0 2.0
   43    50    54    59   0.33900  1.0 3.0
   44    43    50    33   0.30150 -1.0 2.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    54   0.30150 -1.0 2.0
   50    33    38    39   0.00000  1.0 1.0
   50    33   -38    40   0.09850  1.0 1.0
   50    33   -38    40   0.15250 -1.0 2.0
   50    33   -38    40  -0.50650  1.0 3.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    61   0.00000  1.0 1.0
   50    54    59    62   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    59   0.00000  1.0 1.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    62   0.00000  1.0 1.0
   45    41    42    49   0.04150 -1.0 2.0
   45    41    42    70   0.04150 -1.0 2.0
   45    41    43    44   0.30150 -1.0 2.0
   45    41    43    50   0.60050  1.0 1.0
   45    41    43    50   0.05600 -1.0 2.0
   45    41    43    50   0.26150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    53    40    38   1.10000 -1.0 2.0
   49    70    42    41   4.00000 -1.0 2.0
   52    53    49    42   4.00000 -1.0 2.0
   56    57    52    49   4.00000 -1.0 2.0
   63    64    56    52   4.00000 -1.0 2.0
   70    71    63    56   4.00000 -1.0 2.0
   63    75    70    42   4.00000 -1.0 2.0
   52    66    57    58  10.50000 -1.0 2.0
   41    50    43    44  10.50000 -1.0 2.0
   50    59    54    55  10.50000 -1.0 2.0
END
