* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    239     430
    1     0 S   NP   _N1_     1    29.32537    93.26633   -23.47446
    2     1 S   H    _HN1     2     1.02821    20.36333   176.66763
    3     1 S   H    _H1_     3     1.02776   105.48823   -83.43934
    4     1 S   H    _H2_     4     1.02959    89.29188    25.42037
    5     1 S   CT   _CA1     5     1.50144   127.98102   140.96167
    6     5 S   HC   _HA1     6     1.09576   105.19237    71.78268
    7     5 S   CO3  _C1_     7     1.53799   112.43629   -48.31879
    8     7 S   O2Z  _O11     8     1.26363   115.02123   -41.52892
    9     7 S   O2Z  _O12     9     1.26250   114.94685   137.51035
   10     5 S   CT   _CB1    10     1.53065   107.35299  -170.34710
   11    10 S   HC   HB11    11     1.09825   109.26736   -50.48645
   12    10 S   HC   HB12    12     1.09820   110.42608    66.04005
   13    10 S   CT   _CG1    13     1.52983   112.72425  -171.61370
   14    13 S   HC   HG11    14     1.09592   110.40297   -64.91329
   15    13 S   HC   HG12    15     1.09652   110.04609    54.36671
   16    13 S   C    _CD1    16     1.51763   112.24993   174.59477
   17    16 S   O    _OE1    17     1.22741   123.28358    -3.23083
   18    16 S   N    _N2_    18     1.38688   111.68740   177.03740
   19    18 S   H    _HN2    19     1.01593   119.10579     1.33735
   20    18 S   CT1  _CA2    20     1.46043   123.12758   179.87333
   21    20 S   HC   _HA2    21     1.09439   109.06378    -7.89588
   22    20 S   C    _C2_    22     1.53409   108.94265  -122.88591
   23    22 S   O    _O2_    23     1.23052   122.22292  -150.11354
   24    20 S   CT   _CB2    32     1.53415   111.91014   114.42173
   25    24 S   HC   HB21    33     1.09675   109.32488    64.74920
   26    24 S   HC   HB22    34     1.09500   110.96518  -178.43314
   27    22 S   N    _N3_    24     1.38330   113.61560    37.35390
   28    27 S   H    _HN3    25     1.01636   119.48542    -3.32826
   29    24 S   S    _SG2    35     1.83007   114.94492   -54.43984
   30    27 S   CT   _CA3    26     1.45289   123.13166   176.96359
   31    30 S   HC   HA31    27     1.09550   107.50008   -64.82944
   32    30 S   HC   HA32    28     1.09560   107.97235    51.57583
   33    29 S   CT   _C15    36     1.83118   100.99950   -66.69631
   34    33 S   HC   _H7_    37     1.08977   107.10470    51.24197
   35    30 S   CO3  _C3_    29     1.52938   114.15788   173.63665
   36    35 S   O2Z  _O31    30     1.26363   116.07114     0.78509
   37    35 S   O2Z  _O32    31     1.26438   114.41253  -179.15559
   38    33 S   CT   _C14    38     1.52567   112.50676   -71.31764
   39    38 S   HC   _H13    39     1.09904   110.78504   -45.06405
   40    38 S   HC   _H14    40     1.09507   112.85582    74.18256
   41    38 S   CT   _C11    41     1.54683   105.07256  -163.49827
   42    41 S   CT   _C12    42     1.55200   113.78481   -95.23404
   43    42 S   HC   _H6_    43     1.09578   112.32668   -75.48752
   44    41 S   CT   _C10    61     1.57229   104.20452    31.42354
   45    41 S   OH   _O38    72     1.43298   106.03706   148.22327
   46    45 S   HO   _H16    73     0.97287   108.23357    57.54812
   47    42 S   CO4  _C13    44     1.50797   111.32410    47.55039
   48    47 S   O    _O33    45     1.21932   126.56132   -92.71394
   49    33 S   CT   _C16    62     1.53633   114.04181   172.06561
   50    44 S   CT   _C18    68     1.54757   112.27765   111.25142
   51    50 S   HC   _H17    69     1.09589   111.78713   -56.11295
   52    50 S   HC   _H18    70     1.09647   111.25127  -176.28712
   53    50 S   HC   _H19    71     1.09430   111.37725    64.08428
   54    47 S   OS   _O34    46     1.36918   108.10003    85.56808
   55    49 S   CO4  _C17    63     1.50698   111.93383   -90.46256
   56    55 S   O    _O35    64     1.22229   125.35815    76.07118
   57    49 S   OH   _O37    66     1.41585   112.04697    33.00911
   58    57 S   HO   _H15    67     0.97388   107.42007   -54.48857
   59    54 S   CT   _C8_    47     1.44475   108.28694     5.60770
   60    59 S   HC   _H4_    48     1.09517   107.25739   145.19486
   61    64 S   OS   _O36    65     1.43679   109.49922   -49.71713
   62    42 S   CT   _C7_    49     1.53718   114.64736   157.42016
   63    62 S   HC   _H3_    50     1.10382   106.81584   180.00000
   64    59 S   CT   _C9_    59     1.53502   109.50696   -94.15740
   65    64 S   HC   _H5_    60     1.09486   107.43314  -163.02802
   66    62 S   CM   _C5_    51     1.51295   119.06023    62.35202
   67    66 S   CM   _C6_    52     1.34292   124.27790  -134.59200
   68    67 S   HC   _H11    53     1.08586   121.18192  -177.12064
   69    67 S   HC   _H12    54     1.08277   122.66437     1.09682
   70    66 S   CT   _C4_    55     1.50772   116.06766    51.84509
   71    70 S   HC   _H8_    56     1.09198   111.43756   -67.25508
   72    70 S   HC   _H9_    57     1.09520   110.10043    53.00637
   73    70 S   HC   _H10    58     1.09551   112.19905   172.43346
  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
  16   8   2   1   1  15   6   5  22  17   9  19   6   1   8   3
  12   9   3   2   1   8   7   3   3   1   9   6   3  11   4   2
   1   7   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    49    55    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    64    44    49    55    56    61    57    58    50    45  
   38    39    40    41    44    49    55    57  
   36    37  
   37  
    0  
   39    40    41    42    43    47    62    64    44    49    55    57    50    45    46  
   40    41    42    44    49    45  
   41    42    44    49    45  
   42    43    47    48    54    59    62    63    66    64    65    44    49    55    61    57    50    51    52    53    45    46  
   43    47    48    54    59    60    62    63    66    67    70    64    44    49    50    45    46  
   47    48    54    59    62    63    66    44    45  
   49    55    56    61    57    58    50    51    52    53    45    46    47    54    59    60    62    64    65  
   46    47    49    50    62    64  
    0  
   48    54    59    60    62    63    66    64  
   54    59    62  
   55    56    61    57    58    50    51    52    53    59    64    65  
   51    52    53    55    57    59    61    64    65  
   52    53    64  
   53    64  
   64  
   59    60    62    63    66    64    65    61  
   56    61    57    58    59    64    65  
   61    57    64  
   58    61    64  
    0  
   60    62    63    66    67    70    64    65    61  
   62    63    66    64    65    61  
   62    64    65  
   63    66    67    68    69    70    71    72    73    64    65  
   66    67    70    64  
   65    66  
    0  
   67    68    69    70    71    72    73  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    45   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.522
   42    62   268.000  1.529
   47    48   570.000  1.229
   47    54   214.000  1.327
   54    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   268.000  1.529
   62    63   340.000  1.090
   62    66   317.000  1.510
   66    67   549.000  1.340
   66    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   64    65   340.000  1.090
   64    44   268.000  1.529
   64    61   320.000  1.410
   44    49   268.000  1.529
   44    50   268.000  1.529
   49    55   317.000  1.522
   49    57   320.000  1.410
   55    56   570.000  1.229
   55    61   214.000  1.327
   57    58   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   45    46   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    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    55    63.00000  111.10000
   33    49    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    45    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    47    63.00000  111.10000
   41    42    62    58.35000  112.70000
   41    44    64    58.35000  112.70000
   41    44    49    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    45    46    55.00000  108.50000
   42    47    48    80.00000  120.40000
   42    47    54    81.00000  111.40000
   42    62    59    58.35000  112.70000
   42    62    63    37.50000  110.70000
   42    62    66    70.00000  112.02700
   47    42    43    35.00000  109.50000
   47    54    59    83.00000  116.90000
   54    47    48    83.00000  123.40000
   54    59    60    35.00000  109.50000
   54    59    62    50.00000  109.50000
   54    59    64    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    66    70.00000  112.02700
   59    64    65    37.50000  110.70000
   59    64    44    58.35000  112.70000
   59    64    61    50.00000  109.50000
   62    42    43    37.50000  110.70000
   62    42    47    63.00000  111.10000
   62    59    60    37.50000  110.70000
   62    66    67    70.00000  124.00000
   62    66    70    65.00000  117.92700
   66    62    63    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    35.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   69    67    68    35.00000  117.00000
   70    66    67    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    62    58.35000  112.70000
   64    44    49    58.35000  112.70000
   64    44    50    58.35000  112.70000
   64    61    55    83.00000  116.90000
   44    41    42    58.35000  112.70000
   44    64    65    37.50000  110.70000
   44    49    55    63.00000  111.10000
   44    49    57    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    55    56    80.00000  120.40000
   49    55    61    81.00000  111.40000
   49    57    58    55.00000  108.50000
   61    64    65    35.00000  109.50000
   61    64    44    50.00000  109.50000
   61    55    56    83.00000  123.40000
   57    49    55    90.00000  109.61100
   50    44    49    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   45    41    42    50.00000  109.50000
   45    41    44    50.00000  109.50000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   29    33    49    57   0.56750  1.0 1.0
   29    33    49    57  -0.07550 -1.0 2.0
   29    33    49    57   0.20000  1.0 3.0
   33    38    41    42   0.56750  1.0 1.0
   33    38    41    42  -0.07550 -1.0 2.0
   33    38    41    42   0.20000  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    38    41    45   0.86500  1.0 1.0
   33    38    41    45  -0.17500 -1.0 2.0
   33    38    41    45   0.20800  1.0 3.0
   33    49    55    56   0.30150 -1.0 2.0
   33    49    55    61   0.36750  1.0 3.0
   33    49    57    58  -0.11600  1.0 1.0
   33    49    57    58  -0.09450 -1.0 2.0
   33    49    57    58   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    55  -0.11250  1.0 3.0
   34    33    49    57   0.23400  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    55  -0.95700  1.0 1.0
   38    33    49    55  -0.18200 -1.0 2.0
   38    33    49    55   0.29450  1.0 3.0
   38    33    49    57   0.86500  1.0 1.0
   38    33    49    57  -0.17500 -1.0 2.0
   38    33    49    57   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    47  -0.95700  1.0 1.0
   38    41    42    47  -0.18200 -1.0 2.0
   38    41    42    47   0.29450  1.0 3.0
   38    41    42    62   0.56750  1.0 1.0
   38    41    42    62  -0.07550 -1.0 2.0
   38    41    42    62   0.20000  1.0 3.0
   38    41    44    64   0.56750  1.0 1.0
   38    41    44    64  -0.07550 -1.0 2.0
   38    41    44    64   0.20000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   38    41    44    50   0.56750  1.0 1.0
   38    41    44    50  -0.07550 -1.0 2.0
   38    41    44    50   0.20000  1.0 3.0
   38    41    45    46  -0.11600  1.0 1.0
   38    41    45    46  -0.09450 -1.0 2.0
   38    41    45    46   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    45   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    45   0.23400  1.0 3.0
   41    42    47    48   0.30150 -1.0 2.0
   41    42    47    54   0.36750  1.0 3.0
   41    42    62    59   0.56750  1.0 1.0
   41    42    62    59  -0.07550 -1.0 2.0
   41    42    62    59   0.20000  1.0 3.0
   41    42    62    63   0.15000  1.0 3.0
   41    42    62    66   0.34400  1.0 1.0
   41    42    62    66   0.09450 -1.0 2.0
   41    42    62    66   0.11100  1.0 3.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    55  -0.95700  1.0 1.0
   41    44    49    55  -0.18200 -1.0 2.0
   41    44    49    55   0.29450  1.0 3.0
   41    44    49    57   0.86500  1.0 1.0
   41    44    49    57  -0.17500 -1.0 2.0
   41    44    49    57   0.20800  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    53   0.15000  1.0 3.0
   42    41    44    64   0.56750  1.0 1.0
   42    41    44    64  -0.07550 -1.0 2.0
   42    41    44    64   0.20000  1.0 3.0
   42    41    44    49   0.56750  1.0 1.0
   42    41    44    49  -0.07550 -1.0 2.0
   42    41    44    49   0.20000  1.0 3.0
   42    41    44    50   0.56750  1.0 1.0
   42    41    44    50  -0.07550 -1.0 2.0
   42    41    44    50   0.20000  1.0 3.0
   42    41    45    46  -0.11600  1.0 1.0
   42    41    45    46  -0.09450 -1.0 2.0
   42    41    45    46   0.21250  1.0 3.0
   42    47   -54    59   1.63150  1.0 1.0
   42    47   -54    59   2.92000 -1.0 2.0
   42    62    66    67   0.09850  1.0 1.0
   42    62    66    67   0.15250 -1.0 2.0
   42    62    66    67  -0.50650  1.0 3.0
   42    62    66    70   0.46850  1.0 1.0
   42    62    66    70   0.08550 -1.0 2.0
   42    62    66    70   0.09800  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    54   0.00000  1.0 1.0
   43    42    62    59   0.15000  1.0 3.0
   43    42    62    63   0.15000  1.0 3.0
   43    42    62    66   0.15000  1.0 3.0
   47    42   -62    59  -0.95700  1.0 1.0
   47    42   -62    59  -0.18200 -1.0 2.0
   47    42   -62    59   0.29450  1.0 3.0
   47    42    62    63  -0.11250  1.0 3.0
   47    42    62    66  -0.98800  1.0 1.0
   47    42    62    66   0.48800 -1.0 2.0
   47    42    62    66   0.76800  1.0 3.0
   47    54    59    60   0.08050  1.0 3.0
   47    54   -59    62  -0.25900  1.0 1.0
   47    54   -59    62  -0.47000 -1.0 2.0
   47    54   -59    62   0.11750  1.0 3.0
   47    54    59    64  -0.25900  1.0 1.0
   47    54    59    64  -0.47000 -1.0 2.0
   47    54    59    64   0.11750  1.0 3.0
   48    47    54    59   3.00000 -1.0 2.0
   54    59   -62    42   0.62750  1.0 1.0
   54    59   -62    42  -0.30950 -1.0 2.0
   54    59   -62    42   0.27300  1.0 3.0
   54    59    62    63   0.23400  1.0 3.0
   54    59    62    66   0.61850  1.0 1.0
   54    59    62    66  -0.22750 -1.0 2.0
   54    59    62    66   0.15300  1.0 3.0
   54    59    64    65   0.23400  1.0 3.0
   54    59    64    44   0.62750  1.0 1.0
   54    59    64    44  -0.30950 -1.0 2.0
   54    59    64    44   0.27300  1.0 3.0
   54    59    64    61   1.11900  1.0 1.0
   54    59    64    61  -1.16350 -1.0 2.0
   54    59    64    61  -0.34150  1.0 3.0
   59    62    66    67   0.09850  1.0 1.0
   59    62    66    67   0.15250 -1.0 2.0
   59    62    66    67  -0.50650  1.0 3.0
   59    62    66    70   0.46850  1.0 1.0
   59    62    66    70   0.08550 -1.0 2.0
   59    62    66    70   0.09800  1.0 3.0
   59    64   -44    41   0.56750  1.0 1.0
   59    64   -44    41  -0.07550 -1.0 2.0
   59    64   -44    41   0.20000  1.0 3.0
   59    64    44    49   0.56750  1.0 1.0
   59    64    44    49  -0.07550 -1.0 2.0
   59    64    44    49   0.20000  1.0 3.0
   59    64    44    50   0.56750  1.0 1.0
   59    64    44    50  -0.07550 -1.0 2.0
   59    64    44    50   0.20000  1.0 3.0
   59    64    61    55  -0.25900  1.0 1.0
   59    64    61    55  -0.47000 -1.0 2.0
   59    64    61    55   0.11750  1.0 3.0
   60    59    62    42   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    44   0.15000  1.0 3.0
   60    59    64    61   0.23400  1.0 3.0
   62    42    47    48   0.30150 -1.0 2.0
   62    42   -47    54   0.36750  1.0 3.0
   62    59    64    65   0.15000  1.0 3.0
   62    59    64    44   0.56750  1.0 1.0
   62    59    64    44  -0.07550 -1.0 2.0
   62    59    64    44   0.20000  1.0 3.0
   62    59    64    61   0.62750  1.0 1.0
   62    59    64    61  -0.30950 -1.0 2.0
   62    59    64    61   0.27300  1.0 3.0
   62    66    67    68   7.00000 -1.0 2.0
   62    66    67    69   7.00000 -1.0 2.0
   62    66    70    71   0.34800  1.0 3.0
   62    66    70    72   0.34800  1.0 3.0
   62    66    70    73   0.34800  1.0 3.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    70   0.34800  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   70    66    67    68   7.00000 -1.0 2.0
   70    66    67    69   7.00000 -1.0 2.0
   64    59   -62    42   0.56750  1.0 1.0
   64    59   -62    42  -0.07550 -1.0 2.0
   64    59   -62    42   0.20000  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59    62    66   0.34400  1.0 1.0
   64    59    62    66   0.09450 -1.0 2.0
   64    59    62    66   0.11100  1.0 3.0
   64    44    49    33   0.56750  1.0 1.0
   64    44    49    33  -0.07550 -1.0 2.0
   64    44    49    33   0.20000  1.0 3.0
   64    44   -49    55  -0.95700  1.0 1.0
   64    44   -49    55  -0.18200 -1.0 2.0
   64    44   -49    55   0.29450  1.0 3.0
   64    44    49    57   0.86500  1.0 1.0
   64    44    49    57  -0.17500 -1.0 2.0
   64    44    49    57   0.20800  1.0 3.0
   64    44    50    51   0.15000  1.0 3.0
   64    44    50    52   0.15000  1.0 3.0
   64    44    50    53   0.15000  1.0 3.0
   65    64    44    41   0.15000  1.0 3.0
   65    64    44    49   0.15000  1.0 3.0
   65    64    44    50   0.15000  1.0 3.0
   65    64    61    55   0.08050  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    47  -0.95700  1.0 1.0
   44    41    42    47  -0.18200 -1.0 2.0
   44    41    42    47   0.29450  1.0 3.0
   44    41   -42    62   0.56750  1.0 1.0
   44    41   -42    62  -0.07550 -1.0 2.0
   44    41   -42    62   0.20000  1.0 3.0
   44    41    45    46  -0.11600  1.0 1.0
   44    41    45    46  -0.09450 -1.0 2.0
   44    41    45    46   0.21250  1.0 3.0
   44    64   -61    55  -0.25900  1.0 1.0
   44    64   -61    55  -0.47000 -1.0 2.0
   44    64   -61    55   0.11750  1.0 3.0
   44    49    55    56   0.30150 -1.0 2.0
   44    49   -55    61   0.36750  1.0 3.0
   44    49    57    58  -0.11600  1.0 1.0
   44    49    57    58  -0.09450 -1.0 2.0
   44    49    57    58   0.21250  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    44    50    51   0.15000  1.0 3.0
   49    44    50    52   0.15000  1.0 3.0
   49    44    50    53   0.15000  1.0 3.0
   49    55   -61    64   1.63150  1.0 1.0
   49    55   -61    64   2.92000 -1.0 2.0
   55    49    57    58   0.91850  1.0 1.0
   55    49    57    58   0.57950  1.0 3.0
   56    55    61    64   3.00000 -1.0 2.0
   61    64    44    41   0.62750  1.0 1.0
   61    64    44    41  -0.30950 -1.0 2.0
   61    64    44    41   0.27300  1.0 3.0
   61    64   -44    49   0.62750  1.0 1.0
   61    64   -44    49  -0.30950 -1.0 2.0
   61    64   -44    49   0.27300  1.0 3.0
   61    64    44    50   0.62750  1.0 1.0
   61    64    44    50  -0.30950 -1.0 2.0
   61    64    44    50   0.27300  1.0 3.0
   57    49    55    56   0.30150 -1.0 2.0
   57    49    55    61   0.30750  1.0 1.0
   57    49    55    61   1.13850 -1.0 2.0
   57    49    55    61   0.38850  1.0 3.0
   50    44    49    33   0.56750  1.0 1.0
   50    44    49    33  -0.07550 -1.0 2.0
   50    44    49    33   0.20000  1.0 3.0
   50    44    49    55  -0.95700  1.0 1.0
   50    44    49    55  -0.18200 -1.0 2.0
   50    44    49    55   0.29450  1.0 3.0
   50    44    49    57   0.86500  1.0 1.0
   50    44    49    57  -0.17500 -1.0 2.0
   50    44    49    57   0.20800  1.0 3.0
   45    41    42    43   0.23400  1.0 3.0
   45    41    42    47  -0.09450  1.0 1.0
   45    41    42    47  -1.12950 -1.0 2.0
   45    41    42    47   0.54000  1.0 3.0
   45    41    42    62   0.86500  1.0 1.0
   45    41    42    62  -0.17500 -1.0 2.0
   45    41    42    62   0.20800  1.0 3.0
   45    41    44    64   0.86500  1.0 1.0
   45    41    44    64  -0.17500 -1.0 2.0
   45    41    44    64   0.20800  1.0 3.0
   45    41    44    49   0.86500  1.0 1.0
   45    41    44    49  -0.17500 -1.0 2.0
   45    41    44    49   0.20800  1.0 3.0
   45    41    44    50   0.86500  1.0 1.0
   45    41    44    50  -0.17500 -1.0 2.0
   45    41    44    50   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   42    54    47    48  10.50000 -1.0 2.0
   62    70    66    67  15.00000 -1.0 2.0
   68    69    67    66  15.00000 -1.0 2.0
   49    61    55    56  10.50000 -1.0 2.0
END
