* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    129    205     386
    1     0 S   NP   _N1_     1    28.84125    94.14789   -19.61259
    2     1 S   H    _HN1     2     1.03290   103.86152    54.62289
    3     1 S   H    _H1_     3     1.02706    25.50498   155.92782
    4     1 S   H    _H2_     4     1.03104    85.29607   -50.99257
    5     1 S   CT   _CA1     5     1.49828   133.54756  -167.85709
    6     5 S   HC   _HA1     6     1.09594   105.19489    46.21939
    7     5 S   CO3  _C1_     7     1.53801   112.49530   -73.57801
    8     7 S   O2Z  _O11     8     1.26305   115.31263   -48.13859
    9     7 S   O2Z  _O12     9     1.26324   114.81973   131.18056
   10     5 S   CT   _CB1    10     1.53138   107.43028   163.70157
   11    10 S   HC   HB11    11     1.09804   109.03274   -54.24869
   12    10 S   HC   HB12    12     1.09821   110.50859    62.06508
   13    10 S   CT   _CG1    13     1.53053   112.83125  -175.86853
   14    13 S   HC   HG11    14     1.09563   109.99415   -63.50873
   15    13 S   HC   HG12    15     1.09609   110.43241    55.44535
   16    13 S   C    _CD1    16     1.51811   111.74584   174.96277
   17    16 S   O    _OE1    17     1.22753   122.71567   -30.04174
   18    16 S   N    _N2_    18     1.38569   112.33841   151.70687
   19    18 S   H    _HN2    19     1.01560   119.22185    -0.18871
   20    18 S   CT1  _CA2    20     1.46194   123.20973  -179.08678
   21    20 S   HC   _HA2    21     1.09566   109.03471   -19.07658
   22    20 S   C    _C2_    22     1.53424   108.30556  -134.23630
   23    22 S   O    _O2_    23     1.23013   122.31443  -146.02500
   24    20 S   CT   _CB2    32     1.53535   111.67385   103.64523
   25    24 S   HC   HB21    33     1.09665   109.40577    56.15131
   26    24 S   HC   HB22    34     1.09466   111.32578   173.35005
   27    22 S   N    _N3_    24     1.38545   113.33337    41.40744
   28    27 S   H    _HN3    25     1.01548   118.89989    -0.43611
   29    24 S   S    _SG2    35     1.82949   114.13033   -63.15896
   30    27 S   CT   _CA3    26     1.45421   123.31115   175.35413
   31    30 S   HC   HA31    27     1.09531   109.17387    26.80850
   32    30 S   HC   HA32    28     1.09498   107.18009   143.73966
   33    29 S   CT   _C10    36     1.84595   100.38255   -76.17964
   34    33 S   HC   _H3_    37     1.09397   105.92186    43.09652
   35    30 S   CO3  _C3_    29     1.52886   112.96908   -96.61878
   36    35 S   O2Z  _O31    30     1.26404   115.28352   -50.01807
   37    35 S   O2Z  _O32    31     1.26338   115.07844   130.88871
   38    33 S   CA   _C9_    38     1.51918   111.86482   -75.71520
   39    33 S   CM   _C11    51     1.51492   108.44109   159.86449
   40    39 S   HC   _H10    52     1.09064   116.03923    47.31746
   41    38 S   CA   _C4_    39     1.40605   121.97626   -61.97365
   42    41 S   HA   _H7_    40     1.08756   120.42554     0.04846
   43    39 S   CMA  _C12    53     1.35518   126.20997  -131.42063
   44    43 S   OM   _O33    54     1.26735   126.01058    -3.27112
   45    41 S   CA   _C5_    41     1.39696   120.86370  -179.93439
   46    45 S   HA   _H8_    42     1.08612   119.30791  -179.91153
   47    43 S   OS   _O34    55     1.41994   110.06945   178.76362
   48    45 S   CA   _C6_    43     1.39272   119.72725     0.13988
   49    47 S   CT   _C13    56     1.44351   114.57821  -130.20715
   50    49 S   HC   _H4_    57     1.09807   110.42698   -47.06220
   51    48 S   CA   _C7_    44     1.39170   120.13752     0.11191
   52    48 S   OH   _O40    49     1.36720   120.46980  -179.95154
   53    52 S   HO   _H17    50     0.97198   108.66415    -0.26095
   54    49 S   CT   _C14    58     1.54283   109.43598    75.71958
   55    54 S   HC   _H11    59     1.09801   109.62542    36.30327
   56    54 S   HC   _H12    60     1.09725   108.79252   -79.07203
   57    38 S   CA   _C8_    45     1.40520   119.43736   118.50559
   58    57 S   HA   _H9_    46     1.08758   119.74278    -0.00000
   59    51 S   OH   _O39    47     1.36767   119.31969   179.88986
   60    59 S   HO   _H16    48     0.97224   108.63154  -179.77883
   61    54 S   CM   _C15    61     1.50109   114.06733   158.45984
   62    61 S   CM   _C16    62     1.34092   123.66540   -11.51658
   63    62 S   HC   _H13    63     1.08704   120.33111   178.60394
   64    61 S   CO3  _C19    72     1.52719   118.28781   167.73978
   65    64 S   O2Z  _O38    73     1.26485   115.92006  -119.29467
   66    64 S   O2Z  _O37    74     1.26484   115.18547    59.50909
   67    62 S   CT   _C17    64     1.49957   122.53908    -1.48714
   68    67 S   HC   _H5_    65     1.09580   110.05262  -137.77722
   69    49 S   CT   _C18    66     1.53868   107.50287  -164.91497
   70    69 S   HC   _H6_    67     1.09791   108.93375   -55.77342
   71    67 S   OH   _O36    70     1.42844   108.14462   105.69971
   72    71 S   HO   _H15    71     0.97216   107.88605    52.06909
   73    69 S   OH   _O35    68     1.42920   109.63475    60.61885
   74    73 S   HO   _H14    69     0.97165   107.56502   173.98468
  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  12   7   3   8   4   6   2   7   3  10   7
  14   8   6   3   1  12   5   4   3   1   1   1   9  11   5   3
   1   1   7   5   5   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    57    58    39    40    43    44    47  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    57    58    59    39    40    43  
   40    43    44    47    49    41    57  
   43    44    47  
   42    45    46    48    51    57    58    52  
   45    46    48    57  
   44    47    49    50    54    69  
   47    49  
   46    48    51    57    59    52    53  
   48    51    52  
   49    50    54    55    56    61    67    69    70    73  
   51    57    58    59    60    52    53  
   50    54    55    56    61    62    67    68    69    70    73    74    71    64  
   54    55    56    61    67    69    70    73  
   57    58    59    60    52    53  
   53    57    59  
    0  
   55    56    61    62    63    67    69    70    73    64    65    66  
   56    61    62    69    64  
   61    62    69    64  
   58    59    60  
   59  
   60  
    0  
   62    63    67    68    69    71    64    65    66  
   63    67    68    69    70    73    71    72    64    65    66  
   67    68    69    71    64  
   65    66    67  
   66  
    0  
   68    69    70    73    74    71    72  
   69    70    73    71    72  
   70    73    74    71    72  
   73    74    71  
   72    73  
    0  
   74  
    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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.310300   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   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    57   469.000  1.400
   51    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    69   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   317.000  1.510
   61    62   549.000  1.340
   61    64   230.000  1.545
   62    63   340.000  1.080
   62    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   320.000  1.410
   73    74   553.000  0.945
   71    72   553.000  0.945
   64    65   656.000  1.250
   64    66   656.000  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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    57    63.00000  120.00000
   48    51    59    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    57    58    35.00000  120.00000
   51    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    51    57    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    50.00000  109.50000
   47    49    69    50.00000  109.50000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    61    70.00000  112.02700
   49    69    67    58.35000  112.70000
   49    69    70    37.50000  110.70000
   49    69    73    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    61    62    70.00000  124.00000
   54    61    64    65.00000  117.04000
   56    54    55    33.00000  107.80000
   61    54    55    35.00000  109.50000
   61    54    56    35.00000  109.50000
   61    62    63    35.00000  120.00000
   61    62    67    70.00000  124.00000
   61    64    65    85.00000  113.83300
   61    64    66    85.00000  113.83300
   62    67    68    35.00000  109.50000
   62    67    69    70.00000  112.02700
   62    67    71    90.00000  110.39200
   67    62    63    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    73    50.00000  109.50000
   67    71    72    55.00000  108.50000
   69    49    50    37.50000  110.70000
   69    49    54    58.35000  112.70000
   69    67    68    37.50000  110.70000
   69    73    74    55.00000  108.50000
   73    69    70    35.00000  109.50000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   64    61    62    55.00000  124.75400
   66    64    65    80.00000  126.00000
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  -0.23050  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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    57    51   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   45    48    51    59   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -57    38   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    51    59    60   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   57    51    59    60   0.84100 -1.0 2.0
   59    51    57    38   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   52    48    51    57   3.62500 -1.0 2.0
   52    48    51    59   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    69  -0.46850  1.0 1.0
   43    47    49    69   0.09300 -1.0 2.0
   43    47    49    69  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    56   0.23400  1.0 3.0
   47    49    54    61   0.61850  1.0 1.0
   47    49    54    61  -0.22750 -1.0 2.0
   47    49    54    61   0.15300  1.0 3.0
   47    49    69    67   0.62750  1.0 1.0
   47    49    69    67  -0.30950 -1.0 2.0
   47    49    69    67   0.27300  1.0 3.0
   47    49    69    70   0.23400  1.0 3.0
   47    49    69    73   3.69350  1.0 1.0
   47    49    69    73  -1.82950 -1.0 2.0
   49    54    61    62   0.09850  1.0 1.0
   49    54    61    62   0.15250 -1.0 2.0
   49    54    61    62  -0.50650  1.0 3.0
   49    54    61    64   0.09700  1.0 1.0
   49    54    61    64   0.15600 -1.0 2.0
   49    54    61    64  -0.50800  1.0 3.0
   49    69    73    74  -0.11600  1.0 1.0
   49    69    73    74  -0.09450 -1.0 2.0
   49    69    73    74   0.21250  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   50    49    69    67   0.15000  1.0 3.0
   50    49    69    70   0.15000  1.0 3.0
   50    49    69    73   0.23400  1.0 3.0
   54    49    69    67   0.56750  1.0 1.0
   54    49    69    67  -0.07550 -1.0 2.0
   54    49    69    67   0.20000  1.0 3.0
   54    49    69    70   0.15000  1.0 3.0
   54    49    69    73   0.86500  1.0 1.0
   54    49    69    73  -0.17500 -1.0 2.0
   54    49    69    73   0.20800  1.0 3.0
   54    61    62    63   7.00000 -1.0 2.0
   54    61   -62    67   7.00000 -1.0 2.0
   54    61    64    65  -0.64400  1.0 1.0
   54    61    64    65   0.26850 -1.0 2.0
   54    61    64    66  -0.64400  1.0 1.0
   54    61    64    66   0.26850 -1.0 2.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.00000  1.0 1.0
   56    54    61    64   0.15000  1.0 3.0
   61    62    67    68   0.00000  1.0 1.0
   61    62    67    69   0.09850  1.0 1.0
   61    62    67    69   0.15250 -1.0 2.0
   61    62    67    69  -0.50650  1.0 3.0
   61    62    67    71   0.67800  1.0 1.0
   61    62    67    71   0.47050 -1.0 2.0
   61    62    67    71  -0.62500  1.0 3.0
   62    61    64    65  -0.04000 -1.0 2.0
   62    61    64    65  -0.29050  1.0 3.0
   62    61    64    66  -0.04000 -1.0 2.0
   62    61    64    66  -0.29050  1.0 3.0
   62    67   -69    49   0.34400  1.0 1.0
   62    67   -69    49   0.09450 -1.0 2.0
   62    67   -69    49   0.11100  1.0 3.0
   62    67    69    70   0.15000  1.0 3.0
   62    67    69    73   1.05650  1.0 1.0
   62    67    69    73   0.15600 -1.0 2.0
   62    67    69    73   0.53150  1.0 3.0
   62    67    71    72  -0.07800  1.0 1.0
   62    67    71    72  -0.21500 -1.0 2.0
   62    67    71    72  -0.03150  1.0 3.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    71   0.00000  1.0 1.0
   67    69    73    74  -0.11600  1.0 1.0
   67    69    73    74  -0.09450 -1.0 2.0
   67    69    73    74   0.21250  1.0 3.0
   68    67    69    49   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    49    54    55   0.15000  1.0 3.0
   69    49    54    56   0.15000  1.0 3.0
   69    49   -54    61   0.34400  1.0 1.0
   69    49   -54    61   0.09450 -1.0 2.0
   69    49   -54    61   0.11100  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   70    69    73    74   0.19450  1.0 3.0
   71    67    69    49   0.86500  1.0 1.0
   71    67    69    49  -0.17500 -1.0 2.0
   71    67    69    49   0.20800  1.0 3.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   3.75450  1.0 1.0
   64    61    62    63   7.00000 -1.0 2.0
   64    61    62    67   7.00000 -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
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   57    59    51    48   4.00000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   54    64    61    62   1.10000 -1.0 2.0
   67    63    62    61   1.10000 -1.0 2.0
   65    61    64    66  10.50000 -1.0 2.0
END
