* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    119    190     354
    1     0 S   NP   _N1_     1    28.71357    96.00830   -22.91313
    2     1 S   H    _HN1     2     1.02951    76.29994    15.81398
    3     1 S   H    _H1_     3     1.02829    36.70354   162.18658
    4     1 S   H    _H2_     4     1.02783    99.72617   -90.86711
    5     1 S   CT   _CA1     5     1.50107   142.09967   121.54298
    6     5 S   HC   _HA1     6     1.09571   105.21873    83.81329
    7     5 S   CO3  _C1_     7     1.53802   112.44360   -36.45409
    8     7 S   O2Z  _O11     8     1.26371   115.00811   -42.92566
    9     7 S   O2Z  _O12     9     1.26240   114.95221   136.26500
   10     5 S   CT   _CB1    10     1.53090   107.43200  -158.18889
   11    10 S   HC   HB11    11     1.09828   109.41548   -49.83244
   12    10 S   HC   HB12    12     1.09815   110.42422    66.78527
   13    10 S   CT   _CG1    13     1.52978   112.58299  -170.82905
   14    13 S   HC   HG11    14     1.09589   110.57460   -64.38826
   15    13 S   HC   HG12    15     1.09666   109.84555    54.83303
   16    13 S   C    _CD1    16     1.51793   112.31387   175.29922
   17    16 S   O    _OE1    17     1.22721   123.31564     3.88575
   18    16 S   N    _N2_    18     1.38628   111.58840  -176.20450
   19    18 S   H    _HN2    19     1.01580   118.97449     1.94813
   20    18 S   CT1  _CA2    20     1.46250   123.47896   178.59166
   21    20 S   HC   _HA2    21     1.09737   109.37569     0.79303
   22    20 S   C    _C2_    22     1.53532   108.60448  -114.67191
   23    22 S   O    _O2_    23     1.23039   122.34514  -148.71272
   24    20 S   CT   _CB2    32     1.53471   111.36197   122.76983
   25    24 S   HC   HB21    33     1.09428   109.40318    56.18903
   26    24 S   HC   HB22    34     1.09445   109.87930   175.08040
   27    22 S   N    _N3_    24     1.38364   113.67578    38.83661
   28    27 S   H    _HN3    25     1.01590   119.55714    -3.48037
   29    24 S   S    _SG2    35     1.83465   110.81875   -65.34316
   30    27 S   CT   _CA3    26     1.45284   123.17036   177.04018
   31    30 S   HC   HA31    27     1.09551   107.51655   -64.28551
   32    30 S   HC   HA32    28     1.09557   107.97128    52.14199
   33    29 S   CT   _C15    36     1.89308   102.24080   169.75128
   34    30 S   CO3  _C3_    29     1.52950   114.10552   174.13068
   35    34 S   O2Z  _O31    30     1.26374   116.06672    -0.78833
   36    34 S   O2Z  _O32    31     1.26430   114.41022   179.27368
   37    33 S   CM   _C11    37     1.51326   105.86969   -63.97393
   38    37 S   HC   _H25    38     1.08714   118.68047   -57.21806
   39    33 S   CT   _C18    47     1.61574   110.54065   175.61188
   40    37 S   CM   _C10    39     1.33526   123.74081   123.60897
   41    40 S   HC   _H24    40     1.08393   121.21607   178.47864
   42    39 S   CA   _C8_    48     1.55969   110.06033   178.67929
   43    39 S   CT   _C16    60     1.56249   112.08238   -59.22808
   44    43 S   HC   _H27    61     1.09544   111.91081    66.18572
   45    43 S   HC   _H28    62     1.09759   110.72614  -174.88197
   46    43 S   HC   _H29    63     1.09304   113.52784   -54.61597
   47    39 S   CT   _C17    64     1.56346   111.95402    56.44877
   48    47 S   HC   _H30    65     1.09548   111.98606   -67.43395
   49    47 S   HC   _H31    66     1.09327   113.37274    53.31934
   50    47 S   HC   _H32    67     1.09759   110.79592   173.74900
   51    40 S   CO4  _C14    41     1.48059   121.44453    -1.33969
   52    51 S   O    _O17    42     1.23102   118.09775   174.13131
   53    42 S   CA   _C4_    49     1.40968   121.61683   -90.87691
   54    53 S   HA   _H20    50     1.08605   121.25360    -0.26688
   55    51 S   CMA  _C13    43     1.51688   119.01761    -7.05310
   56    55 S   OM   _O16    44     1.26236   115.41455  -172.83689
   57    53 S   CA   _C6_    51     1.39892   121.67927   178.96486
   58    57 S   HA   _H22    52     1.08608   119.36555  -179.98022
   59    33 S   CM   _C12    45     1.51994   106.43983    54.39175
   60    59 S   HC   _H26    46     1.09102   115.60486    57.03590
   61    57 S   CA   _C9_    53     1.38855   119.65503    -0.31404
   62    61 S   CA   _C7_    54     1.38737   120.35361    -0.21489
   63    62 S   HA   _H23    55     1.08633   120.53357  -179.30226
   64    61 S   OH   _O18    58     1.36533   121.24269  -179.92598
   65    64 S   HO   _H33    59     0.97228   108.53402     0.72145
   66    42 S   CA   _C5_    56     1.40939   121.44513    87.20921
   67    66 S   HA   _H21    57     1.08620   121.24996     0.02798
  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  11   5   4   3
  21   2   1   1  12   5  19   6   3  18  10   3   2   1   6   2
   1   1   5   3   8   4   3   2   7   3   1   1   6   5   3   2
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    55    59    60    39    42    43    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    51    55    56    59    60    39    42    53    66    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    40    41    51    52    55    59    60    39    42    43    47  
   40    41    51    59    39  
   42    53    54    57    62    66    67    43    44    45    46    47    48    49    50    40    55    59    60  
   41    51    52    55    56    59  
   51    52    55  
   53    54    57    58    61    62    63    66    67    43    44    45    46    47    48    49    50    59  
   44    45    46    47    48    49    50    53    59    66  
   45    46    47  
   46    47  
   47  
   48    49    50    53    59    66  
   49    50  
   50  
    0  
   52    55    56    59    60  
   55    56    59  
   54    57    58    61    62    66    67    64  
   57    58    61    66  
   56    59    60  
   59    60  
   58    61    62    63    66    64    65  
   61    62    64  
   60  
    0  
   62    63    66    67    64    65  
   63    66    67    64    65  
   66    67    64  
   65    66  
    0  
   67  
    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   0.167500   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   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    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    59   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    41   340.000  1.080
   40    51   320.000  1.462
   51    52   570.000  1.229
   51    55   270.000  1.476
   55    56   745.000  1.250
   55    59   465.000  1.376
   59    60   340.000  1.080
   39    42   317.000  1.510
   39    43   268.000  1.529
   39    47   268.000  1.529
   42    53   469.000  1.400
   42    66   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   64    65   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
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    75.00000  112.20000
   29    33    59    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    59    55    70.00000  124.00000
   33    59    60    35.00000  117.00000
   33    39    42    70.00000  112.17500
   33    39    43    58.35000  112.70000
   33    39    47    58.35000  112.70000
   37    40    41    35.00000  120.00000
   37    40    51    65.00000  118.96000
   40    37    38    35.00000  120.00000
   40    51    52    80.00000  123.72100
   40    51    55    65.00000  118.65900
   51    40    41    40.00000  117.72500
   51    55    56    85.00000  116.28000
   51    55    59    65.00000  114.61000
   55    51    52    80.00000  120.81000
   55    59    60    40.00000  120.50800
   59    33    37    70.00000  110.12100
   59    55    56    65.00000  137.10300
   39    33    37    70.00000  112.02700
   39    33    59    70.00000  112.02700
   39    42    53    70.00000  120.00000
   39    42    66    70.00000  120.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    50    37.50000  110.70000
   42    53    54    35.00000  120.00000
   42    53    57    63.00000  120.00000
   42    66    62    63.00000  120.00000
   42    66    67    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    61    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    61    62    63.00000  120.00000
   57    61    64    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    35.00000  120.00000
   66    42    53    63.00000  120.00000
   66    62    63    35.00000  120.00000
   64    61    62    70.00000  120.00000
   43    39    42    70.00000  112.17500
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    39    42    70.00000  112.17500
   47    39    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59  -0.62250  1.0 1.0
   24    29    33    59  -0.38450 -1.0 2.0
   24    29    33    59   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    59    55   0.42700  1.0 1.0
   29    33    59    55  -0.70350 -1.0 2.0
   29    33    59    55  -0.43150  1.0 3.0
   29    33    59    60   0.00000  1.0 1.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    51   7.00000 -1.0 2.0
   33    39    42    53   0.04150 -1.0 2.0
   33    39    42    66   0.04150 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39    47    49   0.15000  1.0 3.0
   33    39    47    50   0.15000  1.0 3.0
   37    33    59    55  -0.28300  1.0 1.0
   37    33    59    55   0.26700 -1.0 2.0
   37    33    59    55  -0.63300  1.0 3.0
   37    33    59    60   0.00000  1.0 1.0
   37    33    39    42   0.21200  1.0 1.0
   37    33    39    42   0.16900 -1.0 2.0
   37    33    39    42  -1.15100  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    47   0.34400  1.0 1.0
   37    33    39    47   0.09450 -1.0 2.0
   37    33    39    47   0.11100  1.0 3.0
   37    40    51    52   1.00000 -1.0 2.0
   37    40   -51    55  -1.18350  1.0 1.0
   37    40   -51    55   1.45950 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    51   7.00000 -1.0 2.0
   40    51    55    56   1.50000 -1.0 2.0
   40    51    55    59  -1.18350  1.0 1.0
   40    51    55    59   1.45950 -1.0 2.0
   41    40    51    52   0.00000  1.0 1.0
   41    40    51    55   0.93700 -1.0 2.0
   51    55   -59    33   7.00000 -1.0 2.0
   51    55    59    60   7.00000 -1.0 2.0
   52    51    55    56  -0.11900  1.0 1.0
   52    51    55    56   0.76850 -1.0 2.0
   52    51    55    56   0.14100  1.0 3.0
   52    51    55    59   1.00000 -1.0 2.0
   56    55    59    33   7.00000 -1.0 2.0
   56    55    59    60   7.00000 -1.0 2.0
   59    33    37    38   0.00000  1.0 1.0
   59    33   -37    40  -0.28300  1.0 1.0
   59    33   -37    40   0.26700 -1.0 2.0
   59    33   -37    40  -0.63300  1.0 3.0
   59    33    39    42   0.21200  1.0 1.0
   59    33    39    42   0.16900 -1.0 2.0
   59    33    39    42  -1.15100  1.0 3.0
   59    33    39    43   0.34400  1.0 1.0
   59    33    39    43   0.09450 -1.0 2.0
   59    33    39    43   0.11100  1.0 3.0
   59    33    39    47   0.34400  1.0 1.0
   59    33    39    47   0.09450 -1.0 2.0
   59    33    39    47   0.11100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.09850  1.0 1.0
   39    33    37    40   0.15250 -1.0 2.0
   39    33    37    40  -0.50650  1.0 3.0
   39    33    59    55   0.09850  1.0 1.0
   39    33    59    55   0.15250 -1.0 2.0
   39    33    59    55  -0.50650  1.0 3.0
   39    33    59    60   0.00000  1.0 1.0
   39    42    53    54   3.62500 -1.0 2.0
   39    42    53    57   3.62500 -1.0 2.0
   39    42    66    62   3.62500 -1.0 2.0
   39    42    66    67   3.62500 -1.0 2.0
   42    39    43    44   0.43200  1.0 3.0
   42    39    43    45   0.43200  1.0 3.0
   42    39    43    46   0.43200  1.0 3.0
   42    39    47    48   0.43200  1.0 3.0
   42    39    47    49   0.43200  1.0 3.0
   42    39    47    50   0.43200  1.0 3.0
   42    53    57    58   3.62500 -1.0 2.0
   42    53    57    61   3.62500 -1.0 2.0
   53    42    66    62   3.62500 -1.0 2.0
   53    42    66    67   3.62500 -1.0 2.0
   53    57   -61    62   3.62500 -1.0 2.0
   53    57    61    64   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    61   3.62500 -1.0 2.0
   57    61    62    63   3.62500 -1.0 2.0
   57    61    62    66   3.62500 -1.0 2.0
   57    61    64    65   0.84100 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    62   -66    42   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   63    62    66    42   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   66    42    53    54   3.62500 -1.0 2.0
   66    42   -53    57   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   43    39    42    53   0.04150 -1.0 2.0
   43    39    42    66   0.04150 -1.0 2.0
   43    39    47    48   0.15000  1.0 3.0
   43    39    47    49   0.15000  1.0 3.0
   43    39    47    50   0.15000  1.0 3.0
   47    39    42    53   0.04150 -1.0 2.0
   47    39    42    66   0.04150 -1.0 2.0
   47    39    43    44   0.15000  1.0 3.0
   47    39    43    45   0.15000  1.0 3.0
   47    39    43    46   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   51    41    40    37   1.10000 -1.0 2.0
   40    55    51    52  10.50000 -1.0 2.0
   51    56    55    59   1.10000 -1.0 2.0
   33    60    59    55   1.10000 -1.0 2.0
   53    66    42    39   4.00000 -1.0 2.0
   57    54    53    42   1.10000 -1.0 2.0
   61    58    57    53   1.10000 -1.0 2.0
   62    64    61    57   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   62    67    66    42   1.10000 -1.0 2.0
END
