* LIGAND DATABASE FILE (OPLS2005)
*
001      68    72    127    215     375
    1     0 S   NP   _N1_     1    28.95758    99.51657   -22.73167
    2     1 S   H    _HN1     2     1.02947    52.38514     6.76634
    3     1 S   H    _H1_     3     1.02827    57.80373   164.27671
    4     1 S   H    _H2_     4     1.02797   105.98846   -94.36205
    5     1 S   CT   _CA1     5     1.50135   141.77064    81.33037
    6     5 S   HC   _HA1     6     1.09573   105.15656   123.22768
    7     5 S   CO3  _C1_     7     1.53769   112.41240     3.01370
    8     7 S   O2Z  _O11     8     1.26381   115.00494   -43.49287
    9     7 S   O2Z  _O12     9     1.26230   114.94364   135.43002
   10     5 S   CT   _CB1    10     1.53047   107.39048  -118.81194
   11    10 S   HC   HB11    11     1.09845   109.34867   -49.11600
   12    10 S   HC   HB12    12     1.09808   110.47957    67.47747
   13    10 S   CT   _CG1    13     1.53029   112.64136  -170.02058
   14    13 S   HC   HG11    14     1.09566   110.76938   -67.36449
   15    13 S   HC   HG12    15     1.09667   109.68127    51.89592
   16    13 S   C    _CD1    16     1.51815   111.86523   172.41778
   17    16 S   O    _OE1    17     1.22772   123.12605    14.16122
   18    16 S   N    _N2_    18     1.38617   111.91782  -165.86345
   19    18 S   H    _HN2    19     1.01593   119.08414     0.59938
   20    18 S   CT1  _CA2    20     1.46238   123.39852   176.86925
   21    20 S   HC   _HA2    21     1.09738   109.19831     9.83915
   22    20 S   C    _C2_    22     1.53725   109.26389  -105.81226
   23    22 S   O    _O2_    23     1.23110   122.13580  -150.98799
   24    20 S   CT   _CB2    32     1.53307   111.49144   131.74044
   25    24 S   HC   HB21    33     1.09459   109.86444    57.70967
   26    24 S   HC   HB22    34     1.09503   110.22677   176.39728
   27    22 S   N    _N3_    24     1.38282   114.04202    36.55243
   28    27 S   H    _HN3    25     1.01523   119.62586    -3.32355
   29    24 S   S    _SG2    35     1.82661   111.49189   -64.06908
   30    27 S   CT   _CA3    26     1.45276   123.31198   177.20446
   31    30 S   HC   HA31    27     1.09549   107.52419   -64.72189
   32    30 S   HC   HA32    28     1.09557   107.98899    51.73996
   33    29 S   CT   _C22    36     1.87419    99.40076   174.39664
   34    33 S   HC   _H3_    37     1.09584   107.85904    21.76253
   35    30 S   CO3  _C3_    29     1.52984   114.03340   173.75120
   36    35 S   O2Z  _O31    30     1.26388   116.08901     0.23656
   37    35 S   O2Z  _O32    31     1.26425   114.41441  -179.71264
   38    33 S   CA   _C19    38     1.53876   106.68572   139.06798
   39    38 S   CA   _C15    39     1.42751   122.67899   -85.51255
   40    38 S   CA   _C18    59     1.41473   117.33292    91.32380
   41    39 S   CA   _C10    40     1.41226   123.99863    -2.43317
   42    41 S   HA   _H29    41     1.08643   121.25320     0.27906
   43    40 S   CM   _C20    60     1.46893   120.86189     2.76676
   44    43 S   HC   _H31    61     1.08442   118.95492  -164.88670
   45    39 S   CR3  _C17    67     1.42055   118.83922   177.23997
   46    41 S   CA   _C8_    42     1.39700   122.15211  -179.82983
   47    46 S   HA   _H27    43     1.08812   118.64309   179.90309
   48    43 S   CM   _C21    62     1.34100   120.41665    17.69289
   49    48 S   HC   _H32    63     1.08816   118.54295   176.47097
   50    51 S   CR3  _C16    68     1.41204   119.03509    -0.18767
   51    46 S   CA   _C13    44     1.39492   120.67136    -0.16313
   52    33 S   CT   _C23    64     1.57533   115.95131   -97.45857
   53    52 S   OM   _O21    65     1.32154   111.18459    47.46893
   54    52 S   HC   _H34    66     1.10327   105.12543   175.80371
   55    51 S   CA   _C6_    45     1.40293   121.14784   179.94405
   56    55 S   HA   _H25    46     1.08798   120.60576    -0.14265
   57    55 S   CA   _C4_    47     1.39255   120.57050   179.83098
   58    57 S   HA   _H23    48     1.08629   119.99590   179.98022
   59    57 S   CA   _C5_    49     1.39263   120.00998    -0.07402
   60    59 S   HA   _H24    50     1.08800   118.79769  -179.90309
   61    59 S   CA   _C12    51     1.40267   120.58904     0.04423
   62    61 S   CA   _C7_    52     1.39797   120.97564  -179.81869
   63    62 S   HA   _H26    53     1.08798   120.68245    -0.04423
   64    62 S   CA   _C9_    54     1.39376   120.55306   179.83449
   65    64 S   HA   _H28    55     1.08839   118.52284  -179.86012
   66    64 S   CA   _C14    56     1.40114   120.92216     0.15323
   67    66 S   CA   _C11    57     1.39795   120.31412  -179.90513
   68    67 S   HA   _H30    58     1.08933   119.63322     0.01978
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  16  14  11   8   4   9   4  12   7   3   5
   3  12   8   2   1   1   6   3   5   3   5   2   5   5   3   4
   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    67    40    43    48    49    52    53    54    45  
   38    39    40    48    52    53    54  
   36    37  
   37  
    0  
   39    41    42    46    66    67    68    40    43    44    48    52    53    54    45    50  
   41    42    46    47    51    61    64    66    67    40    43    52    45    50  
   43    44    48    49    52    45    41    64    66    67    68  
   42    46    47    51    55    66    45    50  
   46    47    51    45  
   44    48    49    52    53    54    66    67    68  
   48    49    52    67  
   50    46    51    55    59    61    62    64    65    66    67    68  
   47    51    55    56    57    61    50  
   51    55    50  
   49    52    53    54    67  
   52    53    54  
   51    55    56    57    59    60    61    62    63    64    66    67  
   55    56    57    58    59    61    62    66  
   53    54  
   54  
    0  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62  
   59    60    61  
   60    61    62    63    64  
   61    62  
   62    63    64    65    66  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68  
   66    67  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   469.000  1.400
   39    45   490.000  1.398
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    55   469.000  1.400
   51    50   490.000  1.398
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    50   490.000  1.398
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    45   490.000  1.398
   67    68   367.000  1.080
   67    40   469.000  1.400
   40    43   320.000  1.460
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    49   340.000  1.080
   48    52   317.000  1.510
   52    53   570.000  1.307
   52    54   340.000  1.090
   45    50   490.000  1.398
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    52    48    70.00000  112.02700
   33    52    53    50.00000  109.50000
   33    52    54    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    41    63.00000  120.00000
   38    39    45    70.00000  112.88000
   38    40    67    63.00000  120.00000
   38    40    43    60.00000  120.93500
   39    41    42    35.00000  120.00000
   39    41    46    63.00000  120.00000
   39    45    66    60.00000  130.80000
   39    45    50    60.00000  130.80000
   41    46    47    35.00000  120.00000
   41    46    51    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    51    55    63.00000  120.00000
   46    51    50    70.00000  112.88000
   51    46    47    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    57    63.00000  120.00000
   51    50    61    60.00000  130.80000
   51    50    45    60.00000  130.80000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   59    61    50    70.00000  112.88000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    50    45    60.00000  130.80000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    45    70.00000  112.88000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    40    63.00000  120.00000
   66    45    50    60.00000  130.80000
   67    40    43    60.00000  120.93500
   40    38    39    63.00000  120.00000
   40    67    68    35.00000  120.00000
   40    43    44    40.00000  117.26300
   40    43    48    60.00000  123.20500
   43    48    49    35.00000  120.00000
   43    48    52    70.00000  124.00000
   48    43    44    35.00000  120.00000
   48    52    53    85.00000  110.90400
   48    52    54    35.00000  109.50000
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.17500
   52    48    49    35.00000  117.00000
   54    52    53    45.00000  125.66300
   45    39    41    70.00000  112.88000
   45    66    67    70.00000  112.88000
   50    51    55    70.00000  112.88000
   50    61    62    70.00000  112.88000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    45   3.62500 -1.0 2.0
   33    38    40    67   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.23400  1.0 3.0
   34    33    52    54   0.15000  1.0 3.0
   38    33    52    48   0.21200  1.0 1.0
   38    33    52    48   0.16900 -1.0 2.0
   38    33    52    48  -1.15100  1.0 3.0
   38    33    52    53  -0.64350  1.0 1.0
   38    33    52    53  -0.04200 -1.0 2.0
   38    33    52    53   0.19800  1.0 3.0
   38    33    52    54   0.43200  1.0 3.0
   38    39    41    42   3.62500 -1.0 2.0
   38    39    41    46   3.62500 -1.0 2.0
   38    39    45    66   3.62500 -1.0 2.0
   38    39    45    50   3.62500 -1.0 2.0
   38    40    43    44   0.56550  1.0 3.0
   38    40   -43    48   0.15800  1.0 1.0
   38    40   -43    48   1.85350 -1.0 2.0
   38    40   -43    48  -0.48700  1.0 3.0
   39    38    40    67   3.62500 -1.0 2.0
   39    38    40    43   3.62500 -1.0 2.0
   39    41    46    47   3.62500 -1.0 2.0
   39    41    46    51   3.62500 -1.0 2.0
   39    45   -50    51   3.62500 -1.0 2.0
   39    45    50    61   3.62500 -1.0 2.0
   41    39    45    66   3.62500 -1.0 2.0
   41    39    45    50   3.62500 -1.0 2.0
   41    46    51    55   3.62500 -1.0 2.0
   41    46   -51    50   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    51   3.62500 -1.0 2.0
   46    51    55    56   3.62500 -1.0 2.0
   46    51    55    57   3.62500 -1.0 2.0
   46    51    50    61   3.62500 -1.0 2.0
   46    51    50    45   3.62500 -1.0 2.0
   47    46    51    55   3.62500 -1.0 2.0
   47    46    51    50   3.62500 -1.0 2.0
   51    55    57    58   3.62500 -1.0 2.0
   51    55    57    59   3.62500 -1.0 2.0
   55    51    50    61   3.62500 -1.0 2.0
   55    51    50    45   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57   -59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59    61    50   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    64   3.62500 -1.0 2.0
   59    61   -50    51   3.62500 -1.0 2.0
   59    61    50    45   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    50   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    66   3.62500 -1.0 2.0
   62    61    50    51   3.62500 -1.0 2.0
   62    61    50    45   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64   -66    45   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    40   3.62500 -1.0 2.0
   64    66    45    39   3.62500 -1.0 2.0
   64    66    45    50   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    45   3.62500 -1.0 2.0
   66    67   -40    38   3.62500 -1.0 2.0
   66    67    40    43   3.62500 -1.0 2.0
   66    45    50    51   3.62500 -1.0 2.0
   66    45   -50    61   3.62500 -1.0 2.0
   67    66   -45    39   3.62500 -1.0 2.0
   67    66    45    50   3.62500 -1.0 2.0
   67    40    43    44   0.56550  1.0 3.0
   67    40    43    48   0.15800  1.0 1.0
   67    40    43    48   1.85350 -1.0 2.0
   67    40    43    48  -0.48700  1.0 3.0
   68    67    40    38   3.62500 -1.0 2.0
   68    67    40    43   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38    39    45   3.62500 -1.0 2.0
   40    43    48    49   7.00000 -1.0 2.0
   40    43    48    52   7.00000 -1.0 2.0
   43    48   -52    33   0.09850  1.0 1.0
   43    48   -52    33   0.15250 -1.0 2.0
   43    48   -52    33  -0.50650  1.0 3.0
   43    48    52    53   0.39000  1.0 1.0
   43    48    52    53  -0.05800 -1.0 2.0
   43    48    52    53  -0.55150  1.0 3.0
   43    48    52    54   0.00000  1.0 1.0
   44    43    48    49   7.00000 -1.0 2.0
   44    43    48    52   7.00000 -1.0 2.0
   49    48    52    33   0.00000  1.0 1.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.33100  1.0 3.0
   52    33    38    39   0.04150 -1.0 2.0
   52    33   -38    40   0.04150 -1.0 2.0
   45    39    41    42   3.62500 -1.0 2.0
   45    39   -41    46   3.62500 -1.0 2.0
   45    66    67    68   3.62500 -1.0 2.0
   45    66   -67    40   3.62500 -1.0 2.0
   50    51    55    56   3.62500 -1.0 2.0
   50    51   -55    57   3.62500 -1.0 2.0
   50    61    62    63   3.62500 -1.0 2.0
   50    61   -62    64   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   39    40    38    33   4.00000 -1.0 2.0
   41    45    39    38   4.00000 -1.0 2.0
   46    42    41    39   1.10000 -1.0 2.0
   51    47    46    41   1.10000 -1.0 2.0
   55    50    51    46   4.00000 -1.0 2.0
   57    56    55    51   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   62    50    61    59   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    45    66    64   4.00000 -1.0 2.0
   40    68    67    66   1.10000 -1.0 2.0
   67    43    40    38   4.00000 -1.0 2.0
   40    44    43    48   1.10000 -1.0 2.0
   52    49    48    43   1.10000 -1.0 2.0
   66    50    45    39   4.00000 -1.0 2.0
   61    45    50    51   4.00000 -1.0 2.0
END
