* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    136    232     408
    1     0 S   NP   _N1_     1    28.62522    96.28650   -21.41050
    2     1 S   H    _HN1     2     1.02779    90.32107   -85.58054
    3     1 S   H    _H1_     3     1.02959    78.66653    23.05152
    4     1 S   H    _H2_     4     1.02835    40.73812   156.75252
    5     1 S   CT   _CA1     5     1.50108   149.98969   134.38003
    6     5 S   HC   _HA1     6     1.09574   105.24351    74.57916
    7     5 S   CO3  _C1_     7     1.53789   112.39642   -45.66434
    8     7 S   O2Z  _O11     8     1.26359   115.01017   -44.09657
    9     7 S   O2Z  _O12     9     1.26238   114.92174   135.14513
   10     5 S   CT   _CB1    10     1.53100   107.43647  -167.49415
   11    10 S   HC   HB11    11     1.09824   109.35390   -50.81727
   12    10 S   HC   HB12    12     1.09819   110.40694    65.73529
   13    10 S   CT   _CG1    13     1.53009   112.66585  -171.91697
   14    13 S   HC   HG11    14     1.09595   110.45259   -63.51037
   15    13 S   HC   HG12    15     1.09652   109.97639    55.71046
   16    13 S   C    _CD1    16     1.51813   112.32876   176.08568
   17    16 S   O    _OE1    17     1.22718   123.27128    -1.86991
   18    16 S   N    _N2_    18     1.38641   111.63069   178.28834
   19    18 S   H    _HN2    19     1.01584   119.01371     1.40081
   20    18 S   CT1  _CA2    20     1.46178   123.37580   179.88131
   21    20 S   HC   _HA2    21     1.09736   109.39912    -6.69299
   22    20 S   C    _C2_    22     1.53474   108.44265  -122.29474
   23    22 S   O    _O2_    23     1.23027   122.17055  -145.85671
   24    20 S   CT   _CB2    32     1.53421   111.56284   115.32348
   25    24 S   HC   HB21    33     1.09584   109.99090    55.97293
   26    24 S   HC   HB22    34     1.09454   109.93758   175.01131
   27    22 S   N    _N3_    24     1.38485   113.46434    41.50269
   28    27 S   H    _HN3    25     1.01513   118.94871    -0.67609
   29    24 S   S    _SG2    35     1.82763   111.76983   -65.19479
   30    27 S   CT   _CA3    26     1.45460   123.52797   175.05201
   31    30 S   HC   HA31    27     1.09515   109.35146    22.38849
   32    30 S   HC   HA32    28     1.09498   107.10290   139.42006
   33    29 S   CT   _C23    36     1.84317    99.89182   168.27121
   34    33 S   HC   _H3_    37     1.09775   106.40602   -52.65781
   35    30 S   CO3  _C3_    29     1.52917   112.99801  -101.15657
   36    35 S   O2Z  _O31    30     1.26410   115.35622   -45.39443
   37    35 S   O2Z  _O32    31     1.26345   115.00882   135.48575
   38    33 S   CT   _C21    38     1.54155   112.59682    66.70124
   39    38 S   HC   _H34    39     1.09531   107.62343   -67.32188
   40    38 S   CA   _C19    40     1.52340   113.40931   172.37797
   41    38 S   OH   _O22    72     1.42706   111.78044    51.40755
   42    41 S   HO   _H38    73     0.97278   107.41105   -39.41379
   43    40 S   CA   _C15    41     1.43208   120.52459   163.07492
   44    40 S   CA   _C18    61     1.41210   119.69674   -18.71624
   45    43 S   CA   _C10    42     1.41293   123.69101    -0.25944
   46    45 S   HA   _H31    43     1.08752   121.02770     0.74230
   47    44 S   CT   _C20    62     1.51479   123.02464     1.94249
   48    47 S   HC   _H33    63     1.09750   108.54584  -137.73508
   49    43 S   CR3  _C17    70     1.41962   119.35308   179.57942
   50    45 S   CA   _C8_    44     1.39721   122.27830  -179.64392
   51    50 S   HA   _H29    45     1.08809   118.67219   179.96044
   52    33 S   CT   _C22    64     1.53574   109.63248  -168.92861
   53    52 S   HC   _H35    65     1.09765   109.71509    53.24725
   54    47 S   OH   _O21    68     1.42849   107.07441   105.81012
   55    54 S   HO   _H37    69     0.97250   107.59640   172.57204
   56    57 S   CR3  _C16    71     1.41176   119.00161    -0.19979
   57    50 S   CA   _C13    46     1.39487   120.64188    -0.13988
   58    52 S   OH   _O23    66     1.42658   111.41919   -65.61927
   59    58 S   HO   _H39    67     0.97232   107.83790   176.99913
   60    57 S   CA   _C6_    47     1.40296   121.19099   179.92338
   61    60 S   HA   _H27    48     1.08796   120.60292    -0.10835
   62    60 S   CA   _C4_    49     1.39262   120.56713   179.87646
   63    62 S   HA   _H25    50     1.08628   119.99244   179.98022
   64    62 S   CA   _C5_    51     1.39269   120.01486    -0.04846
   65    64 S   HA   _H26    52     1.08798   118.80795  -179.94766
   66    64 S   CA   _C12    53     1.40268   120.58141     0.00000
   67    66 S   CA   _C7_    54     1.39801   121.01611  -179.90721
   68    67 S   HA   _H28    55     1.08794   120.69187    -0.02798
   69    67 S   CA   _C9_    56     1.39375   120.52435   179.87489
   70    69 S   HA   _H30    57     1.08835   118.55427  -179.88131
   71    69 S   CA   _C14    58     1.40143   120.88904     0.08847
   72    71 S   CA   _C11    59     1.39691   120.51208  -179.81655
   73    72 S   HA   _H32    60     1.08986   119.54026    -0.15826
  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  10   5   4   3
  15   8   2   1   1  13   6  16   4   1  13  13   8   4  10   6
  12   7   3   6   3   3   1  12   8   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    47    52    53    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    48    52    53    58    59    54    41    42  
   38    39    40    47    52    53    58    41  
   36    37  
   37  
    0  
   39    40    43    45    72    44    47    52    53    58    49    41    42  
   40    43    44    52    41    42  
   43    45    46    50    71    72    73    44    47    48    52    54    49    56    41    42  
   42    43    44    52  
    0  
   45    46    50    51    57    66    69    71    72    44    47    49    56  
   47    48    52    53    58    54    55    49    45    69    71    72    73  
   46    50    51    57    60    71    49    56  
   50    51    57    49  
   48    52    53    58    59    54    55    71    72    73  
   52    53    58    54    55    72  
   56    50    57    60    64    66    67    69    70    71    72    73  
   51    57    60    61    62    66    56  
   57    60    56  
   53    58    59    54    55    72  
   58    59    54  
   55    58    72  
    0  
   57    60    61    62    64    65    66    67    68    69    71    72  
   60    61    62    63    64    66    67    71  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68    69  
   66    67  
   67    68    69    70    71  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73  
   71    72  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   469.000  1.400
   40    44   469.000  1.400
   43    45   469.000  1.400
   43    49   490.000  1.398
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    60   469.000  1.400
   57    56   490.000  1.398
   60    61   367.000  1.080
   60    62   469.000  1.400
   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    56   490.000  1.398
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    49   490.000  1.398
   72    73   367.000  1.080
   72    44   469.000  1.400
   44    47   317.000  1.510
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    54   320.000  1.410
   52    53   340.000  1.090
   52    58   320.000  1.410
   58    59   553.000  0.945
   54    55   553.000  0.945
   49    56   490.000  1.398
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  120.00000
   38    40    44    70.00000  120.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    45    63.00000  120.00000
   40    43    49    70.00000  112.88000
   40    44    72    63.00000  120.00000
   40    44    47    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    49    71    60.00000  130.80000
   43    49    56    60.00000  130.80000
   45    50    51    35.00000  120.00000
   45    50    57    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    57    60    63.00000  120.00000
   50    57    56    70.00000  112.88000
   57    50    51    35.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    62    63.00000  120.00000
   57    56    66    60.00000  130.80000
   57    56    49    60.00000  130.80000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   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    56    70.00000  112.88000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    56    49    60.00000  130.80000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    49    70.00000  112.88000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    44    63.00000  120.00000
   71    49    56    60.00000  130.80000
   72    44    47    70.00000  120.00000
   44    40    43    63.00000  120.00000
   44    72    73    35.00000  120.00000
   44    47    48    35.00000  109.50000
   44    47    52    70.00000  112.17500
   44    47    54    90.00000  112.51600
   47    52    53    37.50000  110.70000
   47    52    58    50.00000  109.50000
   47    54    55    55.00000  108.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    58    59    55.00000  108.50000
   58    52    53    35.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    52    50.00000  109.50000
   49    43    45    70.00000  112.88000
   49    71    72    70.00000  112.88000
   56    57    60    70.00000  112.88000
   56    66    67    70.00000  112.88000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  112.51600
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    58   0.56750  1.0 1.0
   29    33    52    58  -0.07550 -1.0 2.0
   29    33    52    58   0.20000  1.0 3.0
   33    38    40    43   0.04150 -1.0 2.0
   33    38    40    44   0.04150 -1.0 2.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    52    58    59  -0.11600  1.0 1.0
   33    52    58    59  -0.09450 -1.0 2.0
   33    52    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    52    47   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    58   0.23400  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    58   0.86500  1.0 1.0
   38    33    52    58  -0.17500 -1.0 2.0
   38    33    52    58   0.20800  1.0 3.0
   38    40    43    45   3.62500 -1.0 2.0
   38    40    43    49   3.62500 -1.0 2.0
   38    40    44    72   3.62500 -1.0 2.0
   38    40   -44    47   3.62500 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42   0.31900  1.0 1.0
   40    38    41    42  -0.11800 -1.0 2.0
   40    38    41    42   0.38750  1.0 3.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    49    71   3.62500 -1.0 2.0
   40    43    49    56   3.62500 -1.0 2.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    52   0.04150 -1.0 2.0
   40    44    47    54   0.14300 -1.0 2.0
   40    44    47    54   0.00300  1.0 3.0
   43    40    44    72   3.62500 -1.0 2.0
   43    40    44    47   3.62500 -1.0 2.0
   43    45    50    51   3.62500 -1.0 2.0
   43    45    50    57   3.62500 -1.0 2.0
   43    49   -56    57   3.62500 -1.0 2.0
   43    49    56    66   3.62500 -1.0 2.0
   45    43    49    71   3.62500 -1.0 2.0
   45    43    49    56   3.62500 -1.0 2.0
   45    50    57    60   3.62500 -1.0 2.0
   45    50   -57    56   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    57   3.62500 -1.0 2.0
   50    57    60    61   3.62500 -1.0 2.0
   50    57    60    62   3.62500 -1.0 2.0
   50    57    56    66   3.62500 -1.0 2.0
   50    57    56    49   3.62500 -1.0 2.0
   51    50    57    60   3.62500 -1.0 2.0
   51    50    57    56   3.62500 -1.0 2.0
   57    60    62    63   3.62500 -1.0 2.0
   57    60    62    64   3.62500 -1.0 2.0
   60    57    56    66   3.62500 -1.0 2.0
   60    57    56    49   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62   -64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    56   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    69   3.62500 -1.0 2.0
   64    66   -56    57   3.62500 -1.0 2.0
   64    66    56    49   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    56   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    56    57   3.62500 -1.0 2.0
   67    66    56    49   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    49   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    44   3.62500 -1.0 2.0
   69    71    49    43   3.62500 -1.0 2.0
   69    71    49    56   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    49   3.62500 -1.0 2.0
   71    72   -44    40   3.62500 -1.0 2.0
   71    72    44    47   3.62500 -1.0 2.0
   71    49    56    57   3.62500 -1.0 2.0
   71    49   -56    66   3.62500 -1.0 2.0
   72    71   -49    43   3.62500 -1.0 2.0
   72    71    49    56   3.62500 -1.0 2.0
   72    44    47    48   0.00000  1.0 1.0
   72    44    47    52   0.04150 -1.0 2.0
   72    44    47    54   0.14300 -1.0 2.0
   72    44    47    54   0.00300  1.0 3.0
   73    72    44    40   3.62500 -1.0 2.0
   73    72    44    47   3.62500 -1.0 2.0
   44    40    43    45   3.62500 -1.0 2.0
   44    40    43    49   3.62500 -1.0 2.0
   44    47   -52    33  -0.03700  1.0 1.0
   44    47   -52    33   0.37200 -1.0 2.0
   44    47   -52    33  -0.47300  1.0 3.0
   44    47    52    53   0.43200  1.0 3.0
   44    47    52    58   1.13150  1.0 1.0
   44    47    52    58  -1.01400 -1.0 2.0
   44    47    54    55   0.31900  1.0 1.0
   44    47    54    55  -0.11800 -1.0 2.0
   44    47    54    55   0.38750  1.0 3.0
   47    52    58    59  -0.11600  1.0 1.0
   47    52    58    59  -0.09450 -1.0 2.0
   47    52    58    59   0.21250  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    58   0.23400  1.0 3.0
   48    47    54    55   0.19450  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.03700  1.0 1.0
   52    33   -38    40   0.37200 -1.0 2.0
   52    33   -38    40  -0.47300  1.0 3.0
   52    33    38    41   0.86500  1.0 1.0
   52    33    38    41  -0.17500 -1.0 2.0
   52    33    38    41   0.20800  1.0 3.0
   52    47    54    55  -0.11600  1.0 1.0
   52    47    54    55  -0.09450 -1.0 2.0
   52    47    54    55   0.21250  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   54    47    52    33   0.86500  1.0 1.0
   54    47    52    33  -0.17500 -1.0 2.0
   54    47    52    33   0.20800  1.0 3.0
   54    47    52    53   0.23400  1.0 3.0
   54    47    52    58   3.75450  1.0 1.0
   49    43    45    46   3.62500 -1.0 2.0
   49    43   -45    50   3.62500 -1.0 2.0
   49    71    72    73   3.62500 -1.0 2.0
   49    71   -72    44   3.62500 -1.0 2.0
   56    57    60    61   3.62500 -1.0 2.0
   56    57   -60    62   3.62500 -1.0 2.0
   56    66    67    68   3.62500 -1.0 2.0
   56    66   -67    69   3.62500 -1.0 2.0
   41    38    40    43   0.14300 -1.0 2.0
   41    38    40    43   0.00300  1.0 3.0
   41    38    40    44   0.14300 -1.0 2.0
   41    38    40    44   0.00300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   43    44    40    38   4.00000 -1.0 2.0
   45    49    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   57    51    50    45   1.10000 -1.0 2.0
   60    56    57    50   4.00000 -1.0 2.0
   62    61    60    57   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    56    66    64   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    49    71    69   4.00000 -1.0 2.0
   44    73    72    71   1.10000 -1.0 2.0
   72    47    44    40   4.00000 -1.0 2.0
   71    56    49    43   4.00000 -1.0 2.0
   66    49    56    57   4.00000 -1.0 2.0
END
