* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    191     376
    1     0 S   NP   _N1_     1    28.86004    95.49105   -24.49625
    2     1 S   H    _HN1     2     1.02952    76.76979    15.88116
    3     1 S   H    _H1_     3     1.02829    31.65004   178.90783
    4     1 S   H    _H2_     4     1.02783   109.93001   -89.12144
    5     1 S   CT   _CA1     5     1.50106   131.64130   121.55666
    6     5 S   HC   _HA1     6     1.09573   105.21439    87.40258
    7     5 S   CO3  _C1_     7     1.53794   112.42935   -32.85018
    8     7 S   O2Z  _O11     8     1.26369   115.00728   -43.33748
    9     7 S   O2Z  _O12     9     1.26239   114.94017   135.82541
   10     5 S   CT   _CB1    10     1.53084   107.42343  -154.62475
   11    10 S   HC   HB11    11     1.09830   109.39059   -49.98367
   12    10 S   HC   HB12    12     1.09814   110.43670    66.62277
   13    10 S   CT   _CG1    13     1.52982   112.59439  -170.98478
   14    13 S   HC   HG11    14     1.09587   110.58020   -64.73690
   15    13 S   HC   HG12    15     1.09668   109.83968    54.48748
   16    13 S   C    _CD1    16     1.51798   112.28498   174.92935
   17    16 S   O    _OE1    17     1.22726   123.31685     4.34830
   18    16 S   N    _N2_    18     1.38651   111.62829  -175.76617
   19    18 S   H    _HN2    19     1.01592   118.93333     1.77960
   20    18 S   CT1  _CA2    20     1.46187   123.39223   177.96587
   21    20 S   HC   _HA2    21     1.09737   109.36746    -0.55497
   22    20 S   C    _C2_    22     1.53508   108.55891  -116.00580
   23    22 S   O    _O2_    23     1.23047   122.29672  -148.14048
   24    20 S   CT   _CB2    32     1.53304   111.56084   121.44516
   25    24 S   HC   HB21    33     1.09582   110.10924    55.99776
   26    24 S   HC   HB22    34     1.09509   110.23298   175.11316
   27    22 S   N    _N3_    24     1.38338   113.63807    39.34000
   28    27 S   H    _HN3    25     1.01603   119.55645    -3.47243
   29    24 S   S    _SG2    35     1.82584   111.61133   -64.99841
   30    27 S   CT   _CA3    26     1.45288   123.18946   177.05510
   31    30 S   HC   HA31    27     1.09550   107.52291   -64.18688
   32    30 S   HC   HA32    28     1.09557   107.96589    52.24272
   33    29 S   CT   _C16    36     1.82789    98.82497   178.02157
   34    33 S   F    F1__    37     1.36508   108.56897   -57.02628
   35    33 S   F    F2__    38     1.36499   108.56536    56.64449
   36    30 S   CO3  _C3_    29     1.52952   114.09216   174.23139
   37    36 S   O2Z  _O31    30     1.26373   116.06020    -0.61485
   38    36 S   O2Z  _O32    31     1.26427   114.41484   179.44257
   39    33 S   CA   _C13    39     1.50944   110.41961   179.84051
   40    39 S   CA   _C12    40     1.39881   120.67127    89.03454
   41    40 S   HA   _H17    41     1.08861   119.76572     1.15657
   42    40 S   CA   _C11    42     1.40486   119.85596  -179.44503
   43    42 S   CA   _C10    43     1.40798   123.68474     0.26244
   44    42 S   NO2  _N6_    71     1.44619   115.83907  -177.03852
   45    44 S   ON   _O36    72     1.23719   117.09020   105.80107
   46    44 S   ON   _O35    73     1.23764   116.87513   -73.00461
   47    43 S   CA   _C15    44     1.40804   114.28120    -0.02798
   48    43 S   NE   _N4_    50     1.38937   122.87700   179.92087
   49    39 S   CA   _C14    45     1.39872   120.68491   -90.07067
   50    49 S   HA   _H18    46     1.08860   119.76327     0.13122
   51    47 S   NO2  _N5_    47     1.44634   120.41444   176.93484
   52    51 S   ON   _O34    48     1.23717   117.11037   -71.09654
   53    51 S   ON   _O33    49     1.23774   116.86174   110.09926
   54    48 S   CT   _C6_    51     1.46551   119.01115   117.24240
   55    54 S   HC   _H8_    52     1.09628   109.63286   113.50575
   56    54 S   HC   _H9_    53     1.09790   110.61406    -3.60277
   57    48 S   CT   _C7_    61     1.46554   119.02476   -62.63935
   58    57 S   HC   _H10    62     1.09628   109.63567   112.98230
   59    57 S   HC   _H11    63     1.09790   110.59164    -4.14765
   60    54 S   CT   _C5_    54     1.52992   111.90930  -123.99342
   61    60 S   HC   _H6_    55     1.09546   110.58828   -62.01499
   62    60 S   HC   _H7_    56     1.09545   110.06163    55.92041
   63    57 S   CT   _C8_    64     1.52994   111.92649  -124.51560
   64    63 S   HC   _H12    65     1.09546   110.58524   -62.13813
   65    63 S   HC   _H13    66     1.09546   110.06620    55.80123
   66    60 S   CT   _C4_    57     1.52098   111.36330   177.05084
   67    66 S   HC   _H3_    58     1.09467   111.03066   -60.49777
   68    66 S   HC   _H4_    59     1.09468   110.96813    60.05729
   69    66 S   HC   _H5_    60     1.09450   110.25081   179.78971
   70    63 S   CT   _C9_    67     1.52099   111.36244   176.93765
   71    70 S   HC   _H14    68     1.09468   111.03052   -60.51250
   72    70 S   HC   _H15    69     1.09468   110.96763    60.04202
   73    70 S   HC   _H16    70     1.09450   110.25094   179.77445
  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   6   5   4   3
   9   4   3   2   1   1   9  10   4  10  18   4   1   1   8  16
   4   1   2   1   1  13   6   5  10   5   4   6   5   4   6   5
   4   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    49    50  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    47    49    50    51    44  
   41    42    43    47    49    50    48    44    45    46  
   42    43    49    44  
   43    47    49    51    48    54    57    44    45    46  
   47    49    50    51    52    53    48    54    55    56    60    57    58    59    63    44    45    46  
   45    46    47    48  
   46  
    0  
   49    50    51    52    53    48    54    57  
   54    55    56    60    61    62    66    57    58    59    63    64    65    70    49    51  
   50    51    52    53  
   51  
   52    53  
   53  
    0  
   55    56    60    61    62    66    67    68    69    57    58    59    63  
   56    60    61    62    66    57  
   60    61    62    66    57  
   58    59    63    64    65    70    71    72    73    60  
   59    63    64    65    70  
   63    64    65    70  
   61    62    66    67    68    69  
   62    66    67    68    69  
   66    67    68    69  
   64    65    70    71    72    73  
   65    70    71    72    73  
   70    71    72    73  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   45   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   46   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   47   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   52   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    44   400.000  1.460
   43    47   469.000  1.400
   43    48   481.000  1.340
   47    49   469.000  1.400
   47    51   400.000  1.460
   49    50   367.000  1.080
   51    52   550.000  1.225
   51    53   550.000  1.225
   48    54   382.000  1.448
   48    57   382.000  1.448
   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    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   44    45   550.000  1.225
   44    46   550.000  1.225
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    47    63.00000  120.00000
   39    49    50    35.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    44    85.00000  120.00000
   42    40    41    35.00000  120.00000
   42    43    47    63.00000  120.00000
   42    43    48    70.00000  120.10000
   42    44    45    80.00000  117.50000
   42    44    46    80.00000  117.50000
   43    47    49    63.00000  120.00000
   43    47    51    85.00000  120.00000
   43    48    54    50.00000  120.00000
   43    48    57    50.00000  120.00000
   47    49    50    35.00000  120.00000
   47    51    52    80.00000  117.50000
   47    51    53    80.00000  117.50000
   49    39    40    63.00000  120.00000
   51    47    49    85.00000  120.00000
   53    51    52    80.00000  125.30000
   48    43    47    70.00000  120.10000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    60    80.00000  111.61500
   48    57    58    35.00000  109.50000
   48    57    59    35.00000  109.50000
   48    57    63    80.00000  111.61500
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    66    58.35000  112.70000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   57    48    54    50.00000  115.00000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    37.50000  110.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   44    42    43    85.00000  120.00000
   46    44    45    80.00000  125.30000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    47   3.62500 -1.0 2.0
   33    39    49    50   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    49    47   3.62500 -1.0 2.0
   40    39    49    50   3.62500 -1.0 2.0
   40    42   -43    47   3.62500 -1.0 2.0
   40    42    43    48   3.62500 -1.0 2.0
   40    42    44    45   0.69950 -1.0 2.0
   40    42    44    46   0.69950 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    43    47    49   3.62500 -1.0 2.0
   42    43    47    51   3.62500 -1.0 2.0
   42    43    48    54  -1.00000  1.0 1.0
   42    43    48    54   1.25000 -1.0 2.0
   42    43    48    57  -1.00000  1.0 1.0
   42    43    48    57   1.25000 -1.0 2.0
   43    42    44    45   0.69950 -1.0 2.0
   43    42    44    46   0.69950 -1.0 2.0
   43    47   -49    39   3.62500 -1.0 2.0
   43    47    49    50   3.62500 -1.0 2.0
   43    47    51    52   0.69950 -1.0 2.0
   43    47    51    53   0.69950 -1.0 2.0
   43    48    54    55   0.00000  1.0 1.0
   43    48    54    56   0.00000  1.0 1.0
   43    48    54    60  -0.12500  1.0 1.0
   43    48    54    60  -0.12500 -1.0 2.0
   43    48    54    60   0.25000  1.0 3.0
   43    48    57    58   0.00000  1.0 1.0
   43    48    57    59   0.00000  1.0 1.0
   43    48    57    63  -0.12500  1.0 1.0
   43    48    57    63  -0.12500 -1.0 2.0
   43    48    57    63   0.25000  1.0 3.0
   47    43    48    54  -1.00000  1.0 1.0
   47    43    48    54   1.25000 -1.0 2.0
   47    43    48    57  -1.00000  1.0 1.0
   47    43    48    57   1.25000 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   49    47    51    52   0.69950 -1.0 2.0
   49    47    51    53   0.69950 -1.0 2.0
   51    47    49    39   3.62500 -1.0 2.0
   51    47    49    50   3.62500 -1.0 2.0
   48    43    47    49   3.62500 -1.0 2.0
   48    43    47    51   3.62500 -1.0 2.0
   48    54    60    61   0.22950  1.0 3.0
   48    54    60    62   0.22950  1.0 3.0
   48    54    60    66   1.26750  1.0 1.0
   48    54    60    66  -0.00950 -1.0 2.0
   48    54    60    66   0.30600  1.0 3.0
   48    57    63    64   0.22950  1.0 3.0
   48    57    63    65   0.22950  1.0 3.0
   48    57    63    70   1.26750  1.0 1.0
   48    57    63    70  -0.00950 -1.0 2.0
   48    57    63    70   0.30600  1.0 3.0
   54    48    57    58   0.00000  1.0 1.0
   54    48    57    59   0.00000  1.0 1.0
   54    48    57    63   0.00000  1.0 1.0
   54    60    66    67   0.15000  1.0 3.0
   54    60    66    68   0.15000  1.0 3.0
   54    60    66    69   0.15000  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    66   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    66   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   57    48    54    55   0.00000  1.0 1.0
   57    48    54    56   0.00000  1.0 1.0
   57    48    54    60   0.00000  1.0 1.0
   57    63    70    71   0.15000  1.0 3.0
   57    63    70    72   0.15000  1.0 3.0
   57    63    70    73   0.15000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    70   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    70   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   44    42    43    47   3.62500 -1.0 2.0
   44    42    43    48   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    44    42    40   4.00000 -1.0 2.0
   47    48    43    42   4.00000 -1.0 2.0
   49    51    47    43   4.00000 -1.0 2.0
   47    50    49    39   1.10000 -1.0 2.0
   52    47    51    53  10.50000 -1.0 2.0
   57    43    48    54   1.00000 -1.0 2.0
   45    42    44    46  10.50000 -1.0 2.0
END
