* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    217     404
    1     0 S   NP   _N1_     1    28.81024    98.52191   -24.02225
    2     1 S   H    _HN1     2     1.02810    45.06284   165.62345
    3     1 S   H    _H1_     3     1.02820   121.69717  -110.43520
    4     1 S   H    _H2_     4     1.02932    62.11115   -15.15186
    5     1 S   CT   _CA1     5     1.50114   125.43772    81.06312
    6     5 S   HC   _HA1     6     1.09569   105.13673   108.06024
    7     5 S   CO3  _C1_     7     1.53739   112.61806   -12.25731
    8     7 S   O2Z  _O11     8     1.26384   115.01805   -41.22679
    9     7 S   O2Z  _O12     9     1.26241   114.98008   137.83845
   10     5 S   CT   _CB1    10     1.53010   107.37149  -133.88120
   11    10 S   HC   HB11    11     1.09831   109.33486   -48.19815
   12    10 S   HC   HB12    12     1.09811   110.50660    68.35361
   13    10 S   CT   _CG1    13     1.53046   112.63859  -169.12029
   14    13 S   HC   HG11    14     1.09546   110.89829   -69.67895
   15    13 S   HC   HG12    15     1.09653   109.61446    49.59671
   16    13 S   C    _CD1    16     1.51746   111.46000   170.23443
   17    16 S   O    _OE1    17     1.22824   122.92953    21.88354
   18    16 S   N    _N2_    18     1.38582   112.16693  -158.66332
   19    18 S   H    _HN2    19     1.01554   119.19775     1.39142
   20    18 S   CT1  _CA2    20     1.46061   122.48371   172.28490
   21    20 S   HC   _HA2    21     1.09648   110.18563    23.16558
   22    20 S   C    _C2_    22     1.52837   103.02978   -93.82382
   23    22 S   O    _O2_    23     1.23012   122.43089   -86.32649
   24    20 S   CT   _CB2    32     1.53083   112.07557   147.05187
   25    24 S   HC   HB21    33     1.09494   110.59429    55.19814
   26    24 S   HC   HB22    34     1.09543   109.51436   174.31552
   27    22 S   N    _N3_    24     1.38573   112.68242    87.65312
   28    27 S   H    _HN3    25     1.01547   119.61295     3.07842
   29    24 S   S    _SG2    35     1.82727   110.99000   -65.45252
   30    27 S   CT   _CA3    26     1.45356   122.72521  -171.46777
   31    30 S   HC   HA31    27     1.09466   107.30444  -153.68600
   32    30 S   HC   HA32    28     1.09548   108.63634   -36.53836
   33    29 S   CT   _C18    36     1.83606    99.99045  -173.50221
   34    33 S   HC   _H5_    37     1.09641   109.14412    40.31067
   35    30 S   CO3  _C3_    29     1.53264   113.63257    86.16939
   36    35 S   O2Z  _O31    30     1.26439   116.14537    30.79374
   37    35 S   O2Z  _O32    31     1.26484   114.71325  -149.89680
   38    33 S   CM   _C17    38     1.50263   108.37559   -77.23792
   39    38 S   HC   _H16    39     1.09070   115.14002    68.47166
   40    38 S   CMA  _C16    40     1.34805   127.73947  -112.06845
   41    40 S   OM   _O34    41     1.26234   129.16797   179.54200
   42    40 S   CO4  _C15    42     1.51561   115.14823    -0.54465
   43    42 S   O    _O33    43     1.23102   122.78273   172.17258
   44    42 S   CM   _C14    44     1.48316   118.88990    -9.91393
   45    44 S   HC   _H15    45     1.08515   116.10521  -168.42202
   46    33 S   CM   _C13    46     1.51004   109.78014   158.77434
   47    46 S   CT   _C12    47     1.51989   118.19986   -74.35736
   48    47 S   HC   _H13    48     1.09929   108.83449  -136.91208
   49    47 S   HC   _H14    49     1.09800   108.27772   -24.38260
   50    47 S   CT1  _C11    50     1.53585   115.01125    99.15290
   51    50 S   HC   _H4_    51     1.09432   111.79262   -47.64365
   52    50 S   CO3  _C19    52     1.54339   111.77889    74.11969
   53    52 S   O2Z  _O36    53     1.26505   115.96397    56.84443
   54    52 S   O2Z  _O35    54     1.26485   114.83533  -123.67000
   55    50 S   NE   _N5_    55     1.45975   109.90466  -169.26637
   56    55 S   H    _H12    56     1.01768   116.67038   -92.15216
   57    55 S   CM   _C10    57     1.37438   127.50768    82.04203
   58    57 S   HC   _H11    58     1.08522   109.85013  -179.04243
   59    57 S   CM   _C9_    59     1.34109   129.20642    -0.28939
   60    59 S   HC   _H10    60     1.08746   118.02654    -0.43521
   61    59 S   CM   _C8_    61     1.45597   126.73328  -178.68210
   62    61 S   CM   _C7_    62     1.34865   119.86786   169.73697
   63    62 S   HC   _H9_    63     1.08586   121.07956     0.45628
   64    62 S   CM   _C6_    64     1.44603   121.45271  -177.23933
   65    64 S   NE   _N4_    65     1.37638   118.40583    -9.85680
   66    65 S   H    _H8_    66     1.01646   115.89075  -175.61072
   67    64 S   CMA  _C20    75     1.52463   120.04701   169.39442
   68    67 S   OM   _O38    76     1.26507   121.71355   -35.19561
   69    67 S   OM   _O37    77     1.26496   120.41113   145.79497
   70    65 S   CT1  _C5_    67     1.45279   123.09787   -11.57990
   71    70 S   HC   _H3_    68     1.09865   108.02989   -81.68469
   72    61 S   CT   _C4_    69     1.52006   120.14501    -9.36267
   73    72 S   HC   _H6_    70     1.09725   110.55491   -36.24062
   74    72 S   HC   _H7_    71     1.09817   107.85749    80.40987
   75    70 S   CO3  _C21    72     1.53896   108.73501   162.93821
   76    75 S   O2Z  _O40    73     1.26427   116.28679  -131.91561
   77    75 S   O2Z  _O39    74     1.26673   115.18791    49.93164
  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   8   5   4   3
  13   6   2   1   1   8   4   6   3   5   3   6   2   7  10   5
   4   9   6   5   2   1   6   3   6   3   9   3  11  11   4   9
  12   5   3   1   1   7   6   5   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    48    49    50  
   38    39    40    44    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    50  
   46    47  
   47    48    49    50    51    52    55  
   48    49    50    51    52    53    54    55    56    57  
   49    50    51    52    55  
   50    51    52    55  
   51    52    53    54    55    56    57    58    59  
   52    53    54    55    56    57  
   53    54    55    56    57  
   54    55  
   55  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62    72  
   59    60    61  
   60    61    62    63    64    70    72    73    74  
   61    62    72  
   62    63    64    65    70    71    72    73    74    75    67  
   63    64    65    66    70    72    73    74    67    68    69  
   64    65    72    67  
   65    66    70    71    72    75    67    68    69  
   66    70    71    72    73    74    75    76    77    67    68    69  
   70    71    72    75    67  
   68    69    70  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75  
   75  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   65   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   69   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   317.000  1.510
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.476
   42    43   570.000  1.229
   42    44   320.000  1.462
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    55   382.000  1.448
   52    53   656.000  1.250
   52    54   656.000  1.250
   55    56   434.000  1.010
   55    57   425.000  1.378
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   549.000  1.340
   61    72   317.000  1.510
   62    63   340.000  1.080
   62    64   380.000  1.444
   64    65   425.000  1.378
   64    67   465.000  1.376
   65    66   434.000  1.010
   65    70   382.000  1.448
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   75    76   656.000  1.250
   75    77   656.000  1.250
   67    68   745.000  1.250
   67    69   745.000  1.250
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  112.20000
   29    33    46    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  124.00000
   33    46    47    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  114.61000
   40    38    39    40.00000  120.50800
   40    42    43    80.00000  120.81000
   40    42    44    65.00000  118.65900
   42    40    41    85.00000  116.28000
   42    44    45    40.00000  117.72500
   42    44    46    65.00000  118.96000
   44    42    43    80.00000  123.72100
   44    46    47    70.00000  124.00000
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  110.12100
   46    44    45    35.00000  120.00000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    70.00000  112.02700
   47    50    51    37.50000  110.70000
   47    50    52    63.00000  111.10000
   47    50    55    80.00000  111.61500
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    70.00000  117.00000
   50    52    54    70.00000  117.00000
   50    55    56    35.00000  112.50000
   50    55    57    50.00000  121.00000
   52    50    51    35.00000  109.50000
   54    52    53    80.00000  126.00000
   55    50    51    35.00000  109.50000
   55    50    52    63.00000  110.10000
   55    57    58    50.00000  112.30800
   55    57    59    70.00000  124.03900
   57    55    56    35.00000  114.50000
   57    59    60    35.00000  120.00000
   57    59    61    70.00000  123.01800
   59    57    58    35.00000  120.00000
   59    61    62    70.00000  123.01800
   59    61    72    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    70.00000  123.01800
   61    72    70    70.00000  112.02700
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   62    64    65    70.00000  124.03900
   62    64    67    70.00000  117.34000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  114.50000
   64    65    70    50.00000  121.00000
   64    67    68    65.00000  137.10300
   64    67    69    65.00000  137.10300
   65    70    71    35.00000  109.50000
   65    70    72    80.00000  111.61500
   65    70    75    63.00000  110.10000
   70    65    66    35.00000  112.50000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    75    76    70.00000  117.00000
   70    75    77    70.00000  117.00000
   72    61    62    70.00000  124.00000
   72    70    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    63.00000  111.10000
   77    75    76    80.00000  126.00000
   67    64    65    70.00000  124.03900
   69    67    68    65.00000  121.00000
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    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  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    46    44   0.42700  1.0 1.0
   29    33    46    44  -0.70350 -1.0 2.0
   29    33    46    44  -0.43150  1.0 3.0
   29    33    46    47   0.30250  1.0 1.0
   29    33    46    47  -0.14950 -1.0 2.0
   29    33    46    47   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    48   0.34800  1.0 3.0
   33    46    47    49   0.34800  1.0 3.0
   33    46    47    50   0.46850  1.0 1.0
   33    46    47    50   0.08550 -1.0 2.0
   33    46    47    50   0.09800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.00000  1.0 1.0
   34    33    46    47   0.34800  1.0 3.0
   38    33    46    44  -0.28300  1.0 1.0
   38    33    46    44   0.26700 -1.0 2.0
   38    33    46    44  -0.63300  1.0 3.0
   38    33    46    47   0.09700  1.0 1.0
   38    33    46    47   0.15600 -1.0 2.0
   38    33    46    47  -0.50800  1.0 3.0
   38    40    42    43   1.00000 -1.0 2.0
   38    40   -42    44  -1.18350  1.0 1.0
   38    40   -42    44   1.45950 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.93700 -1.0 2.0
   40    42    44    46  -1.18350  1.0 1.0
   40    42    44    46   1.45950 -1.0 2.0
   41    40    42    43  -0.11900  1.0 1.0
   41    40    42    43   0.76850 -1.0 2.0
   41    40    42    43   0.14100  1.0 3.0
   41    40    42    44   1.50000 -1.0 2.0
   42    44   -46    33   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   1.00000 -1.0 2.0
   44    46    47    48   0.00000  1.0 1.0
   44    46    47    49   0.00000  1.0 1.0
   44    46    47    50   0.09850  1.0 1.0
   44    46    47    50   0.15250 -1.0 2.0
   44    46    47    50  -0.50650  1.0 3.0
   45    44    46    33   7.00000 -1.0 2.0
   45    44    46    47   7.00000 -1.0 2.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.28300  1.0 1.0
   46    33   -38    40   0.26700 -1.0 2.0
   46    33   -38    40  -0.63300  1.0 3.0
   46    47    50    51   0.15000  1.0 3.0
   46    47    50    52  -0.98800  1.0 1.0
   46    47    50    52   0.48800 -1.0 2.0
   46    47    50    52   0.76800  1.0 3.0
   46    47    50    55   0.21700  1.0 1.0
   46    47    50    55   0.68550 -1.0 2.0
   46    47    50    55  -0.27950  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    55    56   0.00000  1.0 1.0
   47    50    55    57   0.25450  1.0 1.0
   47    50    55    57  -0.61700 -1.0 2.0
   47    50    55    57  -0.23550  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52  -0.03800  1.0 3.0
   48    47    50    55   0.22950  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52  -0.03800  1.0 3.0
   49    47    50    55   0.22950  1.0 3.0
   50    55    57    58   0.00000  1.0 1.0
   50    55    57    59  -0.54700  1.0 1.0
   50    55    57    59   1.23000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   52    50    55    56   0.00000  1.0 1.0
   52    50    55    57  -0.12500  1.0 1.0
   52    50    55    57  -0.12500 -1.0 2.0
   52    50    55    57   0.25000  1.0 3.0
   55    50    52    53   0.00000  1.0 1.0
   55    50    52    54   0.00000  1.0 1.0
   55    57    59    60   7.00000 -1.0 2.0
   55    57    59    61   7.00000 -1.0 2.0
   56    55    57    58   1.00000 -1.0 2.0
   56    55    57    59   1.00000 -1.0 2.0
   57    59    61    62   0.28850  1.0 1.0
   57    59    61    62   2.61350 -1.0 2.0
   57    59    61    62   0.78400  1.0 3.0
   57    59    61    72  -0.18600  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61    62    63   7.00000 -1.0 2.0
   59    61    62    64   7.00000 -1.0 2.0
   59    61    72    70   0.98200  1.0 1.0
   59    61    72    70  -0.11900 -1.0 2.0
   59    61    72    70   0.24250  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   60    59    61    62  -0.18600  1.0 3.0
   60    59    61    72   0.00000  1.0 1.0
   61    62    64    65  -0.18600  1.0 3.0
   61    62    64    67   0.28850  1.0 1.0
   61    62    64    67   2.61350 -1.0 2.0
   61    62    64    67   0.78400  1.0 3.0
   62    61    72    70   0.09850  1.0 1.0
   62    61    72    70   0.15250 -1.0 2.0
   62    61    72    70  -0.50650  1.0 3.0
   62    61    72    73   0.00000  1.0 1.0
   62    61    72    74   0.00000  1.0 1.0
   62    64    65    66   1.00000 -1.0 2.0
   62    64   -65    70  -0.54700  1.0 1.0
   62    64   -65    70   1.23000 -1.0 2.0
   62    64    67    68   7.00000 -1.0 2.0
   62    64    67    69   7.00000 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67  -0.18600  1.0 3.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.25450  1.0 1.0
   64    65    70    72  -0.61700 -1.0 2.0
   64    65    70    72  -0.23550  1.0 3.0
   64    65    70    75  -0.12500  1.0 1.0
   64    65    70    75  -0.12500 -1.0 2.0
   64    65    70    75   0.25000  1.0 3.0
   65    64    67    68   7.00000 -1.0 2.0
   65    64    67    69   7.00000 -1.0 2.0
   65    70   -72    61   0.21700  1.0 1.0
   65    70   -72    61   0.68550 -1.0 2.0
   65    70   -72    61  -0.27950  1.0 3.0
   65    70    72    73   0.22950  1.0 3.0
   65    70    72    74   0.22950  1.0 3.0
   65    70    75    76   0.00000  1.0 1.0
   65    70    75    77   0.00000  1.0 1.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   66    65    70    75   0.00000  1.0 1.0
   71    70    72    61   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    77   0.00000  1.0 1.0
   72    61    62    63   7.00000 -1.0 2.0
   72    61   -62    64   7.00000 -1.0 2.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
   75    70    72    61  -0.98800  1.0 1.0
   75    70    72    61   0.48800 -1.0 2.0
   75    70    72    61   0.76800  1.0 3.0
   75    70    72    73  -0.03800  1.0 3.0
   75    70    72    74  -0.03800  1.0 3.0
   67    64    65    66   1.00000 -1.0 2.0
   67    64    65    70  -0.54700  1.0 1.0
   67    64    65    70   1.23000 -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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    44    42    43  10.50000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   33    47    46    44   1.10000 -1.0 2.0
   53    50    52    54  10.50000 -1.0 2.0
   56    57    55    50   1.00000 -1.0 2.0
   55    58    57    59  15.00000 -1.0 2.0
   61    60    59    57  15.00000 -1.0 2.0
   59    72    61    62   1.10000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   62    65    64    67   1.10000 -1.0 2.0
   66    64    65    70   1.00000 -1.0 2.0
   76    70    75    77  10.50000 -1.0 2.0
   68    69    67    64   1.10000 -1.0 2.0
END
