* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    135    216     397
    1     0 S   NP   _N1_     1    29.18719    96.99710   -25.18841
    2     1 S   H    _HN1     2     1.02948    61.32449     9.57674
    3     1 S   H    _H1_     3     1.02825    45.84901  -174.39178
    4     1 S   H    _H2_     4     1.02794   118.64105   -86.80982
    5     1 S   CT   _CA1     5     1.50137   128.48136   103.74548
    6     5 S   HC   _HA1     6     1.09577   105.13602   108.68227
    7     5 S   CO3  _C1_     7     1.53759   112.51255   -11.48376
    8     7 S   O2Z  _O11     8     1.26380   114.99082   -41.09847
    9     7 S   O2Z  _O12     9     1.26238   114.94099   137.87155
   10     5 S   CT   _CB1    10     1.53056   107.40042  -133.34576
   11    10 S   HC   HB11    11     1.09845   109.28673   -49.19107
   12    10 S   HC   HB12    12     1.09810   110.49001    67.39634
   13    10 S   CT   _CG1    13     1.53031   112.66368  -170.11988
   14    13 S   HC   HG11    14     1.09563   110.77233   -68.70662
   15    13 S   HC   HG12    15     1.09672   109.65139    50.53725
   16    13 S   C    _CD1    16     1.51827   111.89432   171.03603
   17    16 S   O    _OE1    17     1.22760   123.13955    15.13539
   18    16 S   N    _N2_    18     1.38669   111.86786  -164.84181
   19    18 S   H    _HN2    19     1.01570   119.00346     1.00794
   20    18 S   CT1  _CA2    20     1.46112   123.25160   175.66998
   21    20 S   HC   _HA2    21     1.09709   109.23324    10.93782
   22    20 S   C    _C2_    22     1.53885   109.89065  -105.12851
   23    22 S   O    _O2_    23     1.23147   121.86862  -157.38320
   24    20 S   CT   _CB2    32     1.53298   111.55566   133.08893
   25    24 S   HC   HB21    33     1.09532   109.58508    56.41413
   26    24 S   HC   HB22    34     1.09349   109.49322   175.55459
   27    22 S   N    _N3_    24     1.38156   114.59517    29.38827
   28    27 S   H    _HN3    25     1.01513   119.80595    -3.25522
   29    24 S   S    _SG2    35     1.82482   112.67821   -64.81436
   30    27 S   CT   _CA3    26     1.45236   122.89970   178.22756
   31    30 S   HC   HA31    27     1.09555   107.69897   -60.87044
   32    30 S   HC   HA32    28     1.09556   107.69314    55.51427
   33    29 S   CT   _C19    36     1.85309    99.95862   170.21727
   34    33 S   HC   _H4_    37     1.09205   106.84090   -52.31910
   35    30 S   CO3  _C3_    29     1.52880   114.25812   177.19697
   36    35 S   O2Z  _O31    30     1.26373   116.08685    -1.79972
   37    35 S   O2Z  _O32    31     1.26454   114.36465   178.28982
   38    33 S   CHZ  _C14    38     1.52933   107.95268    68.56594
   39    38 S   CM   _C15    39     1.49129   116.73728    77.70412
   40    39 S   HC   _H14    40     1.08433   117.64334  -161.91771
   41    38 S   NI   _N7_    50     1.30413   126.07675   -99.43573
   42    39 S   CM   _C16    41     1.33555   121.25584    17.96630
   43    42 S   HC   _H15    42     1.08418   121.07474  -178.95714
   44    41 S   NE   _N6_    51     1.34451   117.60531    -6.14794
   45    44 S   H    _H13    52     1.01319   121.12381   -38.95582
   46    42 S   CO4  _C17    43     1.48628   121.71004     3.92146
   47    46 S   O    _O35    44     1.22888   118.57847   179.14476
   48    44 S   CA   _C11    53     1.40441   120.83391   144.69811
   49    33 S   CT   _C18    45     1.53333   113.21664  -171.30713
   50    49 S   HC   _H3_    46     1.10182   107.87386   178.33305
   51    48 S   CA   _C10    54     1.40427   122.65356     0.65012
   52    51 S   HA   _H10    55     1.08734   120.59949     3.07956
   53    49 S   CO3  _C20    47     1.53353   111.10411    62.42206
   54    53 S   O2Z  _O37    48     1.26107   117.07306   -95.16386
   55    53 S   O2Z  _O36    49     1.26654   113.95177    83.94817
   56    51 S   CA   _C9_    56     1.39686   121.02591  -175.70837
   57    56 S   HA   _H9_    57     1.08570   119.25170   178.88162
   58    56 S   CA   _C8_    58     1.39299   119.26974     0.29074
   59    58 S   CA   _C13    59     1.39275   121.03656    -1.00872
   60    59 S   HA   _H12    60     1.08565   121.49197   179.63738
   61    58 S   SY   _S1_    63     1.79859   119.53892   178.51813
   62    61 S   OY   _O33    64     1.46089   102.96930    30.63040
   63    61 S   OY   _O34    65     1.46127   102.90638   149.34105
   64    48 S   CA   _C12    61     1.40521   118.90289  -175.49454
   65    64 S   HA   _H11    62     1.08792   120.13298    -2.90933
   66    61 S   NM   _N5_    66     1.59258   105.26650   -90.00676
   67    66 S   CA   _C7_    67     1.35200   119.89465  -176.71485
   68    67 S   CA   _C21    68     1.41275   118.95845  -177.26147
   69    68 S   HA   _H16    69     1.08851   120.31063     0.21940
   70    68 S   CA   _C4_    70     1.39376   121.03423  -179.75691
   71    70 S   HA   _H5_    71     1.08625   119.96749   179.88297
   72    70 S   CA   _C5_    72     1.38528   119.62405    -0.02798
   73    72 S   HA   _H6_    73     1.08456   120.77008   179.98022
   74    72 S   CA   _C6_    74     1.38305   118.46405     0.06561
   75    74 S   HA   _H7_    75     1.08197   123.49134   179.87646
   76    67 S   NAP  _N4_    76     1.35516   124.98815     3.06235
   77    76 S   H    _H8_    77     1.02010   118.12923     0.11191
  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  12   8   4   7   6   3   8   3   6   3   9
   4   3   8   4   2   1   1   9   3   9   7   3   7   3   2   1
   1   7   9   8   4   6   3   5   3   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    46    47    49    50    53    54    55    41    44  
   38    39    46    49    50    53    41  
   36    37  
   37  
    0  
   39    40    42    43    46    49    50    53    41    44    45    48  
   40    42    43    46    47    49    41    44  
   42    43    46    41  
   44    45    48    51    64    42    49  
   43    46    47    49    50    53  
   46    47    49  
   45    48    51    52    56    59    64    65  
   48    51    64  
   47    49    50    53    54    55  
   49    50    53  
   51    52    56    57    58    59    60    64    65  
   50    53    54    55  
   53    54    55  
   52    56    57    58    59    64    65    61  
   56    57    58    64  
   54    55  
   55  
    0  
   57    58    59    60    64    61    62    63    66  
   58    59    61  
   59    60    64    65    61    62    63    66    67  
   60    64    65    61    62    63    66  
   64    65    61  
   62    63    66    67    68    76    64  
   63    66    67  
   66    67  
   65  
    0  
   67    68    69    70    74    76    77  
   68    69    70    71    72    74    75    76    77  
   69    70    71    72    73    74    76    77  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76    77  
   74    75    76  
   75    76    77  
   76    77  
   77  
    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   0.155400   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   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   62   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   63   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.4200   0.1700  -0.917200   1.9310   1.7100   0.005000000   0.000000000
   67   3.5500   0.0700   0.437800   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.132600   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.182700   1.3810   1.2100   0.030040813   0.268726247
   76   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   77   0.0000   0.0000   0.368100   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   340.000  1.090
   33    38   285.000  1.496
   33    49   268.000  1.529
   38    39   360.000  1.437
   38    41   645.000  1.280
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   41    44   355.000  1.315
   44    45   434.000  1.010
   44    48   481.000  1.340
   48    51   469.000  1.400
   48    64   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   225.000  1.779
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   61    62   735.000  1.471
   61    63   735.000  1.471
   61    66   350.000  1.613
   66    67   515.000  1.335
   67    68   469.000  1.400
   67    76   485.000  1.342
   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   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   485.000  1.342
   76    77   475.000  1.020
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  114.43000
   29    33    49    75.00000  111.63000
   33    38    39    55.00000  127.86000
   33    38    41    65.00000  122.16000
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    70.00000  109.69300
   38    33    34    45.00000  110.40700
   38    39    40    35.00000  118.70300
   38    39    42    70.00000  117.49700
   38    41    44    85.00000  114.46500
   39    42    43    35.00000  120.00000
   39    42    46    65.00000  118.96000
   42    39    40    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    49    65.00000  118.62400
   46    42    43    40.00000  117.72500
   46    49    50    35.00000  109.50000
   46    49    53    70.00000  107.85200
   49    33    34    37.50000  110.70000
   49    33    38    75.00000  111.15500
   49    46    47    80.00000  120.40000
   49    53    54    70.00000  117.00000
   49    53    55    70.00000  117.00000
   53    49    50    35.00000  109.50000
   55    53    54    80.00000  126.00000
   41    38    39    65.00000  123.49500
   41    44    45    50.00000  117.11400
   41    44    48    75.00000  120.05000
   44    48    51    70.00000  120.10000
   44    48    64    70.00000  120.10000
   48    44    45    35.00000  113.50000
   48    51    52    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    64    59    63.00000  120.00000
   48    64    65    35.00000  120.00000
   51    56    57    35.00000  120.00000
   51    56    58    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    65.00000  117.06700
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62   100.00000  107.67100
   58    61    63   100.00000  107.67100
   58    61    66   105.00000   98.50000
   59    64    65    35.00000  120.00000
   64    48    51    63.00000  120.00000
   64    59    60    35.00000  120.00000
   61    58    59    65.00000  117.06700
   61    66    67    75.00000  122.36500
   63    61    62   115.00000  120.17200
   66    61    62   105.00000  114.79700
   66    61    63   105.00000  114.79700
   66    67    68    65.00000  124.38400
   66    67    76    75.00000  123.00000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    76    74    70.00000  123.81700
   67    76    77    45.00000  117.56800
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    70.00000  119.29800
   74    72    73    35.00000  120.00000
   74    76    77    45.00000  117.56800
   76    67    68    70.00000  119.29800
   76    74    75    45.00000  112.84900
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  -0.62250  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.00000  1.0 1.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.56750  1.0 1.0
   29    33    49    53  -0.07550 -1.0 2.0
   29    33    49    53   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42   0.69550 -1.0 2.0
   33    38    41    44   6.00000 -1.0 2.0
   33    49    53    54   0.41150 -1.0 2.0
   33    49    53    55   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53  -0.11250  1.0 3.0
   38    33    49    46  -0.98800  1.0 1.0
   38    33    49    46   0.48800 -1.0 2.0
   38    33    49    46   0.76800  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    53  -0.98800  1.0 1.0
   38    33    49    53   0.48800 -1.0 2.0
   38    33    49    53   0.76800  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    46   7.00000 -1.0 2.0
   38    41    44    45   2.00000 -1.0 2.0
   38    41    44    48   2.00000 -1.0 2.0
   39    38    41    44   6.00000 -1.0 2.0
   39    42    46    47   1.00000 -1.0 2.0
   39    42    46    49  -0.33500  1.0 1.0
   39    42    46    49   1.06600 -1.0 2.0
   39    42    46    49  -0.14000  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    46   7.00000 -1.0 2.0
   42    46   -49    33   0.65300  1.0 1.0
   42    46   -49    33  -0.03850 -1.0 2.0
   42    46   -49    33   0.33900  1.0 3.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.65300  1.0 1.0
   42    46    49    53  -0.03850 -1.0 2.0
   42    46    49    53   0.33900  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    49   0.04550  1.0 1.0
   43    42    46    49   0.83000 -1.0 2.0
   43    42    46    49  -0.04000  1.0 3.0
   46    49    53    54   0.30150 -1.0 2.0
   46    49    53    55   0.30150 -1.0 2.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.30150 -1.0 2.0
   49    33   -38    39   0.09850  1.0 1.0
   49    33   -38    39   0.15250 -1.0 2.0
   49    33   -38    39  -0.50650  1.0 3.0
   49    33    38    41   0.00000  1.0 1.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   41    38    39    40   1.00600 -1.0 2.0
   41    38    39    42   1.09650  1.0 1.0
   41    38    39    42   0.48950 -1.0 2.0
   41    38    39    42   0.49400  1.0 3.0
   41    44    48    51   0.75000 -1.0 2.0
   41    44    48    64   0.75000 -1.0 2.0
   44    48    51    52   3.62500 -1.0 2.0
   44    48    51    56   3.62500 -1.0 2.0
   44    48    64    59   3.62500 -1.0 2.0
   44    48    64    65   3.62500 -1.0 2.0
   45    44    48    51   1.00000 -1.0 2.0
   45    44    48    64   1.00000 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    56    58   3.62500 -1.0 2.0
   51    48    64    59   3.62500 -1.0 2.0
   51    48    64    65   3.62500 -1.0 2.0
   51    56   -58    59   3.62500 -1.0 2.0
   51    56    58    61   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    58   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    64   3.62500 -1.0 2.0
   56    58    61    62   0.19500  1.0 1.0
   56    58    61    62   0.12000 -1.0 2.0
   56    58    61    63   0.19500  1.0 1.0
   56    58    61    63   0.12000 -1.0 2.0
   56    58    61    66  -0.49050  1.0 1.0
   56    58    61    66   0.22250 -1.0 2.0
   56    58    61    66  -0.39350  1.0 3.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59   -64    48   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    61    66    67  -0.64500  1.0 1.0
   58    61    66    67  -1.19050 -1.0 2.0
   58    61    66    67  -0.04400  1.0 3.0
   59    58    61    62   0.19500  1.0 1.0
   59    58    61    62   0.12000 -1.0 2.0
   59    58    61    63   0.19500  1.0 1.0
   59    58    61    63   0.12000 -1.0 2.0
   59    58    61    66  -0.49050  1.0 1.0
   59    58    61    66   0.22250 -1.0 2.0
   59    58    61    66  -0.39350  1.0 3.0
   60    59    64    48   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   64    48    51    52   3.62500 -1.0 2.0
   64    48   -51    56   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    67    68   1.50000 -1.0 2.0
   61    66    67    76   1.50000 -1.0 2.0
   62    61    66    67  -0.23550  1.0 1.0
   62    61    66    67   0.77000 -1.0 2.0
   62    61    66    67   0.47650  1.0 3.0
   63    61    66    67  -0.23550  1.0 1.0
   63    61    66    67   0.77000 -1.0 2.0
   63    61    66    67   0.47650  1.0 3.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    68    70   3.62500 -1.0 2.0
   66    67    76    74   3.62500 -1.0 2.0
   66    67    76    77   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    76    74   3.62500 -1.0 2.0
   68    67    76    77   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   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    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    67   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   75    74    76    67   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    67    68    69   3.62500 -1.0 2.0
   76    67   -68    70   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
   33    39    38    41  10.50000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   46    43    42    39   1.10000 -1.0 2.0
   42    49    46    47  10.50000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
   45    48    44    41   1.00000 -1.0 2.0
   51    64    48    44   4.00000 -1.0 2.0
   56    52    51    48   1.10000 -1.0 2.0
   58    57    56    51   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   59    65    64    48   1.10000 -1.0 2.0
   68    76    67    66   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    67    76    74   1.00000 -1.0 2.0
END
