* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    137    196     392
    1     0 S   NP   _N1_     1    28.12787    96.78469   -22.67079
    2     1 S   H    _HN1     2     1.02775   102.49835  -110.93246
    3     1 S   H    _H1_     3     1.02957    75.71236    -4.89653
    4     1 S   H    _H2_     4     1.02835    35.75265   145.71845
    5     1 S   CT   _CA1     5     1.50137   139.59259    99.88696
    6     5 S   HC   _HA1     6     1.09573   105.21187    85.79260
    7     5 S   CO3  _C1_     7     1.53787   112.37905   -34.40739
    8     7 S   O2Z  _O11     8     1.26369   114.99070   -43.15159
    9     7 S   O2Z  _O12     9     1.26234   114.93459   135.94436
   10     5 S   CT   _CB1    10     1.53094   107.42223  -156.26919
   11    10 S   HC   HB11    11     1.09827   109.34414   -50.22058
   12    10 S   HC   HB12    12     1.09816   110.41455    66.33784
   13    10 S   CT   _CG1    13     1.53022   112.68437  -171.27965
   14    13 S   HC   HG11    14     1.09592   110.51224   -64.46569
   15    13 S   HC   HG12    15     1.09657   109.90958    54.74736
   16    13 S   C    _CD1    16     1.51838   112.29669   175.13647
   17    16 S   O    _OE1    17     1.22751   123.29152     1.20203
   18    16 S   N    _N2_    18     1.38545   111.72561  -178.89041
   19    18 S   H    _HN2    19     1.01572   119.04681     4.37936
   20    18 S   CT1  _CA2    20     1.45872   122.88045   177.96962
   21    20 S   HC   _HA2    21     1.09713   108.96598    24.01098
   22    20 S   C    _C2_    22     1.52866   106.75368   -93.26646
   23    22 S   O    _O2_    23     1.22996   122.91920   -30.34732
   24    20 S   CT   _CB2    32     1.53223   112.13666   147.22283
   25    24 S   HC   HB21    33     1.09443   109.52200    54.97137
   26    24 S   HC   HB22    34     1.09466   109.93119   173.69814
   27    22 S   N    _N3_    24     1.38460   112.66216   152.31562
   28    27 S   H    _HN3    25     1.01652   120.40429    -1.11047
   29    24 S   S    _SG2    35     1.83093   110.69931   -66.13817
   30    27 S   CT   _CA3    26     1.45361   122.42899   178.77731
   31    30 S   HC   HA31    27     1.09563   107.55407   -62.32729
   32    30 S   HC   HA32    28     1.09572   107.85385    53.98967
   33    29 S   CT   _C13    36     1.86137   101.40645   172.00748
   34    30 S   CO3  _C3_    29     1.52889   114.38273   176.02965
   35    34 S   O2Z  _O31    30     1.26329   116.08088     1.83824
   36    34 S   O2Z  _O32    31     1.26451   114.40087  -178.13198
   37    33 S   CM   _C5_    37     1.50606   108.61774    61.55413
   38    37 S   HC   _H23    38     1.09036   116.67817    59.32929
   39    33 S   CT   _C18    51     1.55200   106.91017  -179.00181
   40    39 S   HC   _H38    52     1.09967   110.05718    58.67183
   41    39 S   HC   _H39    53     1.09647   110.51542   -57.00272
   42    37 S   CMA  _C6_    39     1.34653   125.06185  -121.89183
   43    42 S   OM   _O18    40     1.25898   130.52528  -179.06749
   44    39 S   CM   _C9_    54     1.51091   113.97399   177.83454
   45    44 S   HC   _H24    55     1.08979   114.08349   -74.31358
   46    42 S   CM   _C4_    41     1.45757   118.15981     1.27534
   47    46 S   HC   _H22    42     1.09074   118.14962  -179.31472
   48    44 S   CM   _C11    56     1.34763   128.10108   107.38151
   49    46 S   CM   _C7_    43     1.34114   124.65809     1.91213
   50    48 S   CT   _C14    57     1.50407   124.81952    -2.85389
   51    50 S   HC   _H26    58     1.09382   110.53015   113.85399
   52    50 S   HC   _H27    59     1.09533   110.07298  -126.53704
   53    50 S   HC   _H28    60     1.09193   113.50728    -7.10387
   54    48 S   CT   _C20    61     1.51822   119.92725   179.34778
   55    54 S   HC   _H42    62     1.09772   108.55704   131.25932
   56    54 S   HC   _H43    63     1.09842   110.56070    16.25837
   57    33 S   CO4  _C8_    44     1.53747   107.37997   -61.78722
   58    57 S   O    _O19    45     1.23273   121.92477   -59.91250
   59    49 S   OS   _O20    46     1.38211   121.24453  -179.59218
   60    54 S   CT   _C19    64     1.53474   113.85658  -107.21797
   61    60 S   HC   _H40    65     1.09316   110.45147   -57.65143
   62    60 S   HC   _H41    66     1.09761   108.28300  -172.61789
   63    59 S   CT   _C17    47     1.42642   110.51053  -102.92057
   64    63 S   HC   _H35    48     1.09397   107.90063   177.38461
   65    63 S   HC   _H36    49     1.09569   110.97306    59.10377
   66    63 S   HC   _H37    50     1.09477   111.48266   -64.12532
   67    60 S   CM   _C10    67     1.50481   112.43575    69.01428
   68    67 S   HC   _H25    68     1.08980   113.84200    66.98156
   69    67 S   CM   _C12    69     1.34664   128.25765  -113.24535
   70    69 S   CT   _C15    70     1.50609   120.32342  -179.88986
   71    70 S   HC   _H29    71     1.09496   110.23705   120.48460
   72    70 S   HC   _H30    72     1.09511   112.44513     0.38563
   73    70 S   HC   _H31    73     1.09500   110.23684  -119.70053
   74    69 S   CT   _C16    74     1.50224   125.46170     0.73409
   75    74 S   HC   _H32    75     1.09526   110.00313   120.50406
   76    74 S   HC   _H33    76     1.09511   110.04247  -120.25362
   77    74 S   HC   _H34    77     1.09117   113.74989     0.24787
  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  11   5   4   3
  15   2   1   1  12   5  11   5   4   6   3  11   3   6   3  11
   7   7   3   2   1   8   5   4   3   1   4   7   4   3   3   2
   1   1  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    49    57    58    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    49    57    58    59    39    40    41    44    45    48  
   35    36  
   36  
    0  
   38    42    43    46    47    49    57    58    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    50    54    42    49    57    58  
   41    44    45    48    57  
   44    45    48    57  
   43    46    47    49    57    59  
   46    47    49  
   45    48    50    51    52    53    54    55    56    60    57  
   48    50    54  
   47    49    57    58    59    63  
   49    57    59  
   50    51    52    53    54    55    56    60    61    62    67  
   57    58    59    63    64    65    66  
   51    52    53    54    55    56    60  
   52    53    54  
   53    54  
   54  
   55    56    60    61    62    67    68    69  
   56    60    61    62    67  
   60    61    62    67  
   58    59    63  
   59  
   63    64    65    66  
   61    62    67    68    69    70    74  
   62    67    68    69  
   67    68    69  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    75    76    77  
   69    70    74  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    57   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    46   465.000  1.376
   46    47   340.000  1.080
   46    49   549.000  1.340
   49    57   320.000  1.462
   49    59   440.000  1.360
   57    58   570.000  1.229
   59    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    50   317.000  1.510
   48    54   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   317.000  1.510
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   317.000  1.510
   69    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    57    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    49    65.00000  118.62400
   33    57    58    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  112.02700
   37    42    43    65.00000  137.10300
   37    42    46    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    46    47    40.00000  120.50800
   42    46    49    70.00000  117.34000
   46    42    43    65.00000  137.10300
   46    49    57    65.00000  118.96000
   46    49    59    80.00000  120.01400
   49    46    47    35.00000  120.00000
   49    57    58    80.00000  123.72100
   49    59    63    90.00000  111.18400
   57    33    37    70.00000  109.06800
   59    49    57    85.00000  116.28000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    57    63.00000  111.10000
   39    44    45    35.00000  117.00000
   39    44    48    70.00000  124.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    70.00000  124.00000
   44    48    54    70.00000  124.00000
   48    44    45    35.00000  120.00000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    53    35.00000  109.50000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    60    70.00000  112.02700
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    48    50    65.00000  117.92700
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    67    70.00000  112.02700
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    67    68    35.00000  117.00000
   60    67    69    70.00000  124.00000
   62    60    61    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    62    35.00000  109.50000
   67    69    70    70.00000  124.00000
   67    69    74    70.00000  124.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    73    35.00000  109.50000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    69    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    49   0.65300  1.0 1.0
   29    33    57    49  -0.03850 -1.0 2.0
   29    33    57    49   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    39    44    45   0.00000  1.0 1.0
   33    39    44    48   0.09850  1.0 1.0
   33    39    44    48   0.15250 -1.0 2.0
   33    39    44    48  -0.50650  1.0 3.0
   37    33    57    49   0.65300  1.0 1.0
   37    33    57    49  -0.03850 -1.0 2.0
   37    33    57    49   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.31000  1.0 1.0
   37    33    39    44   0.14700 -1.0 2.0
   37    33    39    44   0.07550  1.0 3.0
   37    42    46    47   7.00000 -1.0 2.0
   37    42   -46    49   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    49    57   7.00000 -1.0 2.0
   42    46    49    59   7.00000 -1.0 2.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    49   7.00000 -1.0 2.0
   46    49   -57    33  -0.33500  1.0 1.0
   46    49   -57    33   1.06600 -1.0 2.0
   46    49   -57    33  -0.14000  1.0 3.0
   46    49    57    58   1.00000 -1.0 2.0
   46    49    59    63  -2.26850  1.0 1.0
   46    49    59    63   3.39050 -1.0 2.0
   47    46    49    57   7.00000 -1.0 2.0
   47    46    49    59   7.00000 -1.0 2.0
   49    59    63    64   0.08050  1.0 3.0
   49    59    63    65   0.08050  1.0 3.0
   49    59    63    66   0.08050  1.0 3.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42  -0.51250  1.0 1.0
   57    33   -37    42  -0.88800 -1.0 2.0
   57    33   -37    42   0.08850  1.0 3.0
   57    33    39    40  -0.11250  1.0 3.0
   57    33    39    41  -0.11250  1.0 3.0
   57    33    39    44  -0.98800  1.0 1.0
   57    33    39    44   0.48800 -1.0 2.0
   57    33    39    44   0.76800  1.0 3.0
   57    49    59    63   0.15100 -1.0 2.0
   59    49    57    33   0.32450 -1.0 2.0
   59    49    57    33   0.17400  1.0 3.0
   59    49    57    58  -0.11900  1.0 1.0
   59    49    57    58   0.76850 -1.0 2.0
   59    49    57    58   0.14100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    49   0.65300  1.0 1.0
   39    33    57    49  -0.03850 -1.0 2.0
   39    33    57    49   0.33900  1.0 3.0
   39    33    57    58   0.30150 -1.0 2.0
   39    44    48    50   7.00000 -1.0 2.0
   39    44    48    54   7.00000 -1.0 2.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.33100  1.0 3.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.00000  1.0 1.0
   44    48    50    52   0.00000  1.0 1.0
   44    48    50    53   0.00000  1.0 1.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    56   0.00000  1.0 1.0
   44    48    54    60   0.09850  1.0 1.0
   44    48    54    60   0.15250 -1.0 2.0
   44    48    54    60  -0.50650  1.0 3.0
   45    44    48    50   7.00000 -1.0 2.0
   45    44    48    54   7.00000 -1.0 2.0
   48    54    60    61   0.15000  1.0 3.0
   48    54    60    62   0.15000  1.0 3.0
   48    54    60    67   0.31000  1.0 1.0
   48    54    60    67   0.14700 -1.0 2.0
   48    54    60    67   0.07550  1.0 3.0
   50    48    54    55   0.34800  1.0 3.0
   50    48    54    56   0.34800  1.0 3.0
   50    48    54    60   0.46850  1.0 1.0
   50    48    54    60   0.08550 -1.0 2.0
   50    48    54    60   0.09800  1.0 3.0
   54    48    50    51   0.34800  1.0 3.0
   54    48    50    52   0.34800  1.0 3.0
   54    48    50    53   0.34800  1.0 3.0
   54    60    67    68   0.00000  1.0 1.0
   54    60    67    69   0.09850  1.0 1.0
   54    60    67    69   0.15250 -1.0 2.0
   54    60    67    69  -0.50650  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    67   0.15000  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    67   0.15000  1.0 3.0
   60    67    69    70   7.00000 -1.0 2.0
   60    67    69    74   7.00000 -1.0 2.0
   61    60    67    68   0.33100  1.0 3.0
   61    60    67    69   0.00000  1.0 1.0
   62    60    67    68   0.33100  1.0 3.0
   62    60    67    69   0.00000  1.0 1.0
   67    69    70    71   0.00000  1.0 1.0
   67    69    70    72   0.00000  1.0 1.0
   67    69    70    73   0.00000  1.0 1.0
   67    69    74    75   0.00000  1.0 1.0
   67    69    74    76   0.00000  1.0 1.0
   67    69    74    77   0.00000  1.0 1.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    74   7.00000 -1.0 2.0
   70    69    74    75   0.34800  1.0 3.0
   70    69    74    76   0.34800  1.0 3.0
   70    69    74    77   0.34800  1.0 3.0
   74    69    70    71   0.34800  1.0 3.0
   74    69    70    72   0.34800  1.0 3.0
   74    69    70    73   0.34800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    47    46    49   1.10000 -1.0 2.0
   57    59    49    46   1.10000 -1.0 2.0
   33    49    57    58  10.50000 -1.0 2.0
   39    45    44    48  15.00000 -1.0 2.0
   50    54    48    44  15.00000 -1.0 2.0
   60    68    67    69  15.00000 -1.0 2.0
   70    74    69    67  15.00000 -1.0 2.0
END
