* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    126    200     369
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02070    63.83484    76.36545
    3     1 S   H    _H1_     3     1.02112    48.66027  -128.27359
    4     1 S   H    _H2_     4     1.02046   105.78743   -27.06853
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.84832    97.26050  -178.15019
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C13    37     1.52540   109.13856   -80.03956
   38    33 S   CM   _C5_    51     1.52002   108.86090   153.45391
   39    33 S   OH   _O36    70     1.43481   109.24830    37.52493
   40    39 S   HO   _H15    71     0.96643   105.97634  -178.47620
   41    37 S   CA   _C14    38     1.40726   120.87443    85.52443
   42    41 S   HA   _H11    39     1.08751   120.69353     1.03741
   43    38 S   CMA  _C6_    52     1.34412   125.26044   -71.37460
   44    43 S   OM   _O33    53     1.26557   127.86302   176.18828
   45    41 S   CA   _C15    40     1.39865   121.16918  -178.52701
   46    45 S   HA   _H12    41     1.08592   119.78887  -179.82196
   47    43 S   NE   _N5_    54     1.39064   123.81150    -0.28667
   48    47 S   H    _H6_    55     1.01579   113.72191   -25.69179
   49    45 S   CA   _C16    42     1.39211   120.22948     0.46897
   50    49 S   HA   _H13    43     1.08582   120.03697   179.88297
   51    47 S   CA   _C7_    56     1.40983   131.77894   150.00775
   52    49 S   CA   _C17    44     1.39185   119.91867     0.29007
   53    52 S   HA   _H14    45     1.08477   119.16640   179.34181
   54    51 S   CA   _C8_    57     1.38569   117.19929   154.32893
   55    54 S   HA   _H7_    58     1.08478   121.87480    -0.00000
   56    37 S   CA   _C18    46     1.40219   122.10747   -91.49948
   57    54 S   CA   _C9_    59     1.39093   117.89830  -179.95577
   58    57 S   HA   _H8_    60     1.08534   120.11751   179.91844
   59    56 S   SY   _S1_    47     1.75932   118.28635    -2.75577
   60    59 S   OY   _O34    48     1.45038   106.58629    76.98494
   61    59 S   OY   _O35    49     1.45120   107.93617  -152.21129
   62    57 S   CA   _C10    61     1.39010   119.72083    -0.09487
   63    62 S   HA   _H9_    62     1.08376   121.06616   179.97202
   64    59 S   NS   _N4_    50     1.72635   100.78147   -38.07029
   65    62 S   CA   _C11    63     1.38623   117.92844     0.09065
   66    65 S   HA   _H10    64     1.08551   120.78287   179.96574
   67    51 S   NB   _N6_    65     1.35145   118.74243   -25.72602
   68    64 S   CT   _C4_    66     1.49696   115.84949   -78.82842
   69    68 S   HC   _H3_    67     1.09258   110.09525   -45.91121
   70    68 S   HC   _H4_    68     1.09308   110.16596  -165.85544
   71    68 S   HC   _H5_    69     1.09361   110.26513    74.15043
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   2   1   1  16  17   5   1   8   4   9   4   6   3   8   3
   5   3   8   6   2   7   4   5   6   3   7   3   2   4   3   4
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    56    64    38    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    52    56    59    64    38    43    44    47    68    39    40  
   35    36  
   36  
    0  
   41    42    45    46    49    52    53    56    59    60    61    64    38    43    39    40  
   43    44    47    48    51    68    69    70    71    39    40    41    56    59    60    61    64  
   40    41    43    56    64  
    0  
   42    45    46    49    50    52    56    59  
   45    46    49    56  
   44    47    48    51    54    67    68    59    64  
   47    48    51    64  
   46    49    50    52    53    56  
   49    50    52  
   48    51    54    55    57    65    67    64  
   51    54    67  
   50    52    53    56    59  
   52    53    56  
   54    55    57    58    62    65    66    67  
   53    56    59    60    61    64  
   56    59  
   55    57    58    62    63    65    67  
   57    58    62    67  
   59    60    61    64    68  
   58    62    63    65    66    67  
   62    63    65  
   60    61    64    68    69    70    71  
   61    64    68  
   64    68  
   63    65    66    67  
   65    66    67  
   68    69    70    71  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    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   0.547500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.497600   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   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700   0.685000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   60   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.418000   1.8100   1.6000   0.054801302  -1.445846770
   65   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   67   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   68   3.5000   0.0660   0.022200   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.073300   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.510
   33    39   320.000  1.410
   37    41   469.000  1.400
   37    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    59   225.000  1.779
   59    60   735.000  1.471
   59    61   735.000  1.471
   59    64   245.000  1.722
   64    38   380.000  1.395
   64    68   300.000  1.458
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    48   434.000  1.010
   47    51   481.000  1.340
   51    54   469.000  1.400
   51    67   483.000  1.339
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   367.000  1.080
   65    67   483.000  1.339
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   39    40   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  120.00000
   33    37    56    70.00000  120.00000
   33    38    64    70.00000  115.00000
   33    38    43    70.00000  124.00000
   33    39    40    55.00000  108.50000
   37    41    42    35.00000  120.00000
   37    41    45    63.00000  120.00000
   37    56    52    63.00000  120.00000
   37    56    59    65.00000  117.06700
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   52    49    50    35.00000  120.00000
   52    56    59    65.00000  117.06700
   56    37    41    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    59    60   100.00000  107.67100
   56    59    61   100.00000  107.67100
   56    59    64    95.00000  101.59200
   59    64    38    75.00000  117.67500
   59    64    68    75.00000  117.08200
   61    59    60   115.00000  120.17200
   64    59    60   115.00000  107.22500
   64    59    61   115.00000  107.22500
   64    38    43    65.00000  121.22700
   64    68    69    50.00000  109.35000
   64    68    70    50.00000  109.35000
   64    68    71    50.00000  109.35000
   38    33    37    70.00000  112.99600
   38    43    44    65.00000  137.10300
   38    43    47    75.00000  114.40000
   43    47    48    50.00000  121.48000
   43    47    51    75.00000  121.78000
   47    43    44   105.00000  113.92000
   47    51    54    70.00000  120.10000
   47    51    67    80.00000  117.25000
   51    47    48    35.00000  113.50000
   51    54    55    35.00000  120.00000
   51    54    57    63.00000  120.00000
   51    67    65    70.00000  117.00000
   54    57    58    35.00000  120.00000
   54    57    62    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    65    63.00000  120.00000
   62    57    58    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    67    70.00000  124.00000
   65    62    63    35.00000  120.00000
   67    51    54    70.00000  124.00000
   67    65    66    35.00000  116.00000
   68    64    38    70.00000  118.22000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   39    33    37    90.00000  112.51600
   39    33    38    90.00000  110.39200
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    56  -0.16000  1.0 1.0
   29    33    37    56  -0.03200 -1.0 2.0
   29    33    37    56   0.04500  1.0 3.0
   29    33    38    64   0.09700  1.0 1.0
   29    33    38    64   0.15600 -1.0 2.0
   29    33    38    64  -0.50800  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    45   3.62500 -1.0 2.0
   33    37    56    52   3.62500 -1.0 2.0
   33    37    56    59   3.62500 -1.0 2.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   37    33    38    64   0.09700  1.0 1.0
   37    33    38    64   0.15600 -1.0 2.0
   37    33    38    64  -0.50800  1.0 3.0
   37    33    38    43   1.44450  1.0 1.0
   37    33    38    43   0.06600 -1.0 2.0
   37    33    38    43   0.29250  1.0 3.0
   37    33    39    40   0.31900  1.0 1.0
   37    33    39    40  -0.11800 -1.0 2.0
   37    33    39    40   0.38750  1.0 3.0
   37    41    45    46   3.62500 -1.0 2.0
   37    41    45    49   3.62500 -1.0 2.0
   37    56    59    60   0.19500  1.0 1.0
   37    56    59    60   0.12000 -1.0 2.0
   37    56    59    61   0.19500  1.0 1.0
   37    56    59    61   0.12000 -1.0 2.0
   37    56   -59    64  -0.49050  1.0 1.0
   37    56   -59    64   0.22250 -1.0 2.0
   37    56   -59    64  -0.39350  1.0 3.0
   41    37    56    52   3.62500 -1.0 2.0
   41    37    56    59   3.62500 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45   -49    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   49    52   -56    37   3.62500 -1.0 2.0
   49    52    56    59   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    56   3.62500 -1.0 2.0
   52    56    59    60   0.19500  1.0 1.0
   52    56    59    60   0.12000 -1.0 2.0
   52    56    59    61   0.19500  1.0 1.0
   52    56    59    61   0.12000 -1.0 2.0
   52    56    59    64  -0.49050  1.0 1.0
   52    56    59    64   0.22250 -1.0 2.0
   52    56    59    64  -0.39350  1.0 3.0
   53    52    56    37   3.62500 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   56    37    41    42   3.62500 -1.0 2.0
   56    37   -41    45   3.62500 -1.0 2.0
   56    59    64    38  -0.64500  1.0 1.0
   56    59    64    38  -1.19050 -1.0 2.0
   56    59    64    38  -0.04400  1.0 3.0
   56    59    64    68  -0.64500  1.0 1.0
   56    59    64    68  -1.19050 -1.0 2.0
   56    59    64    68  -0.04400  1.0 3.0
   59    64   -38    33   2.00000 -1.0 2.0
   59    64    38    43   2.00000 -1.0 2.0
   59    64    68    69   0.15000  1.0 3.0
   59    64    68    70   0.15000  1.0 3.0
   59    64    68    71   0.15000  1.0 3.0
   60    59    64    38   0.75000  1.0 3.0
   60    59    64    68  -0.30400  1.0 1.0
   60    59    64    68   0.50450 -1.0 2.0
   60    59    64    68   0.65550  1.0 3.0
   61    59    64    38   0.75000  1.0 3.0
   61    59    64    68  -0.30400  1.0 1.0
   61    59    64    68   0.50450 -1.0 2.0
   61    59    64    68   0.65550  1.0 3.0
   64    38    43    44   7.00000 -1.0 2.0
   64    38    43    47   7.00000 -1.0 2.0
   38    33    37    41   0.18050 -1.0 2.0
   38    33   -37    56   0.18050 -1.0 2.0
   38    33    39    40  -0.07800  1.0 1.0
   38    33    39    40  -0.21500 -1.0 2.0
   38    33    39    40  -0.03150  1.0 3.0
   38    64    68    69   0.23200  1.0 1.0
   38    64    68    69   0.02100 -1.0 2.0
   38    64    68    69   0.24950  1.0 3.0
   38    64    68    70   0.23200  1.0 1.0
   38    64    68    70   0.02100 -1.0 2.0
   38    64    68    70   0.24950  1.0 3.0
   38    64    68    71   0.23200  1.0 1.0
   38    64    68    71   0.02100 -1.0 2.0
   38    64    68    71   0.24950  1.0 3.0
   38    43    47    48   1.00000 -1.0 2.0
   38    43    47    51  -0.54500  1.0 1.0
   38    43    47    51   1.14150 -1.0 2.0
   43    47    51    54   0.70250  1.0 1.0
   43    47    51    54   1.56150 -1.0 2.0
   43    47    51    67   0.96250 -1.0 2.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    51   1.00000 -1.0 2.0
   47    51    54    55   3.62500 -1.0 2.0
   47    51    54    57   3.62500 -1.0 2.0
   47    51    67    65   3.62500 -1.0 2.0
   48    47    51    54   1.00000 -1.0 2.0
   48    47    51    67   1.75000 -1.0 2.0
   51    54    57    58   3.62500 -1.0 2.0
   51    54    57    62   3.62500 -1.0 2.0
   54    51    67    65   3.62500 -1.0 2.0
   54    57    62    63   3.62500 -1.0 2.0
   54    57   -62    65   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    62   3.62500 -1.0 2.0
   57    62    65    66   3.62500 -1.0 2.0
   57    62    65    67   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    65   3.62500 -1.0 2.0
   62    65   -67    51   3.62500 -1.0 2.0
   63    62    65    66   3.62500 -1.0 2.0
   63    62    65    67   3.62500 -1.0 2.0
   66    65    67    51   3.62500 -1.0 2.0
   67    51    54    55   3.62500 -1.0 2.0
   67    51   -54    57   3.62500 -1.0 2.0
   68    64    38    33   2.00000 -1.0 2.0
   68    64    38    43   2.00000 -1.0 2.0
   39    33    37    41   0.14300 -1.0 2.0
   39    33    37    41   0.00300  1.0 3.0
   39    33    37    56   0.14300 -1.0 2.0
   39    33    37    56   0.00300  1.0 3.0
   39    33    38    64   0.09700  1.0 1.0
   39    33    38    64   0.15600 -1.0 2.0
   39    33    38    64  -0.50800  1.0 3.0
   39    33    38    43   0.67800  1.0 1.0
   39    33    38    43   0.47050 -1.0 2.0
   39    33    38    43  -0.62500  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   41    56    37    33   4.00000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   52    50    49    45   1.10000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   52    59    56    37   4.00000 -1.0 2.0
   68    59    64    38   1.00000 -1.0 2.0
   33    64    38    43   1.10000 -1.0 2.0
   47    44    43    38   1.10000 -1.0 2.0
   48    43    47    51   1.00000 -1.0 2.0
   54    67    51    47   4.00000 -1.0 2.0
   57    55    54    51   1.10000 -1.0 2.0
   62    58    57    54   1.10000 -1.0 2.0
   65    63    62    57   1.10000 -1.0 2.0
   67    66    65    62   1.10000 -1.0 2.0
END
