* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    29.31615    96.48335   -25.78479
    2     1 S   H    _HN1     2     1.02951    77.32185    -7.06133
    3     1 S   H    _H1_     3     1.02827    29.81083   177.03661
    4     1 S   H    _H2_     4     1.02783   120.50769  -111.08869
    5     1 S   CT   _CA1     5     1.50114   120.82540    99.30758
    6     5 S   HC   _HA1     6     1.09572   105.19897    90.51713
    7     5 S   CO3  _C1_     7     1.53791   112.47075   -29.71528
    8     7 S   O2Z  _O11     8     1.26370   115.00375   -41.92208
    9     7 S   O2Z  _O12     9     1.26239   114.94914   137.21748
   10     5 S   CT   _CB1    10     1.53079   107.41958  -151.48810
   11    10 S   HC   HB11    11     1.09831   109.37521   -49.64764
   12    10 S   HC   HB12    12     1.09816   110.43498    66.95891
   13    10 S   CT   _CG1    13     1.52987   112.62138  -170.64224
   14    13 S   HC   HG11    14     1.09583   110.59558   -65.31045
   15    13 S   HC   HG12    15     1.09666   109.83533    53.94160
   16    13 S   C    _CD1    16     1.51778   112.24567   174.37879
   17    16 S   O    _OE1    17     1.22729   123.30104     5.19471
   18    16 S   N    _N2_    18     1.38653   111.66983  -174.87012
   19    18 S   H    _HN2    19     1.01581   119.00111     1.75424
   20    18 S   CT1  _CA2    20     1.46081   123.34573   178.35206
   21    20 S   HC   _HA2    21     1.09552   109.32675     1.62618
   22    20 S   C    _C2_    22     1.53553   108.87683  -113.41747
   23    22 S   O    _O2_    23     1.23060   122.22054  -149.24317
   24    20 S   CT   _CB2    32     1.53300   111.69404   124.06520
   25    24 S   HC   HB21    33     1.09684   109.37684    63.30679
   26    24 S   HC   HB22    34     1.09506   111.04052  -180.00000
   27    22 S   N    _N3_    24     1.38317   113.73931    38.27733
   28    27 S   H    _HN3    25     1.01587   119.56735    -3.46453
   29    24 S   S    _SG2    35     1.83102   114.93262   -55.92234
   30    27 S   CT   _CA3    26     1.45282   123.20800   177.01968
   31    30 S   HC   HA31    27     1.09550   107.53649   -63.92452
   32    30 S   HC   HA32    28     1.09556   107.95650    52.51121
   33    29 S   CT   _C23    36     1.82554   101.44193   -63.11830
   34    33 S   HC   _H3_    37     1.09456   110.79050    53.84665
   35    30 S   CO3  _C3_    29     1.52956   114.07333   174.49501
   36    35 S   O2Z  _O31    30     1.26375   116.05536    -0.41543
   37    35 S   O2Z  _O32    31     1.26424   114.41479   179.63363
   38    33 S   CM   _C17    38     1.48920   111.47670   -67.54398
   39    38 S   HC   _H34    39     1.09185   114.18590    78.92953
   40    33 S   CO4  _C22    49     1.51050   107.42320   169.27720
   41    40 S   O    _O26    50     1.22970   121.35141   -80.58728
   42    38 S   CMA  _C19    40     1.35178   128.50500  -103.61296
   43    42 S   OM   _O23    41     1.26671   124.90629  -177.95082
   44    42 S   CA   _C7_    42     1.51332   113.92540     2.34927
   45    44 S   CA   _C4_    43     1.41390   119.82940   168.13695
   46    45 S   HA   _H30    44     1.08984   119.55168    -1.83462
   47    45 S   CA   _C13    45     1.40628   122.80832   178.23531
   48    47 S   CA   _C11    46     1.40455   119.03033    -0.37742
   49    47 S   CT   _C25    74     1.50551   118.95558  -179.98022
   50    49 S   HC   _H39    75     1.09459   110.37780   116.24512
   51    49 S   HC   _H40    76     1.09464   110.52441  -122.33538
   52    49 S   HC   _H41    77     1.09528   111.61139    -3.17052
   53    48 S   CA   _C15    47     1.40637   119.14096     0.63766
   54    48 S   CM   _C18    53     1.47750   120.95595  -179.35048
   55    44 S   CA   _C10    48     1.40524   122.95658   -13.33172
   56    53 S   OH   _O28    51     1.37507   116.80893   179.17291
   57    56 S   HO   _H43    52     0.97342   109.22174   177.87643
   58    54 S   CM   _C16    54     1.33838   118.97838    91.40083
   59    58 S   HC   _H33    55     1.08636   121.62087    -0.30710
   60    58 S   CO4  _C21    56     1.47542   122.42713   179.65452
   61    60 S   O    _O25    57     1.22546   120.05092   179.49255
   62    60 S   CA   _C9_    58     1.47790   118.24838    -0.51282
   63    62 S   CA   _C8_    59     1.39773   119.57011     0.29541
   64    63 S   CA   _C5_    60     1.40337   120.23090   179.98022
   65    64 S   HA   _H31    61     1.08829   120.36344  -179.54500
   66    54 S   CO4  _C20    72     1.48655   120.24725   -89.16396
   67    66 S   O    _O24    73     1.22605   121.33698     1.00930
   68    64 S   CA   _C12    62     1.39976   120.60710     0.51926
   69    68 S   CA   _C6_    63     1.39769   119.05439    -1.22653
   70    69 S   HA   _H32    64     1.08789   120.02147  -178.84699
   71    68 S   CT   _C24    68     1.49931   120.43397  -178.50669
   72    71 S   HC   _H36    69     1.09432   109.99638    87.74970
   73    71 S   HC   _H37    70     1.09511   110.94567  -151.76580
   74    71 S   HC   _H38    71     1.09510   110.89664   -32.75811
   75    62 S   CA   _C14    65     1.40230   121.42398  -179.92867
   76    75 S   OH   _O27    66     1.36931   123.44062    -0.13562
   77    76 S   HO   _H42    67     0.97384   108.99396     0.22117
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  10   6   2   1   1   8   4   8   3   7   3   8  10   4  11  15
   5   2   1   1   6  11   2   1   1   8   4   8   3  11   9  11
   4   3   1   8   8   3   4   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    55    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    53    55    40    41  
   38    39    42    55    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    55    40    41  
   42    43    44    40  
   41    56    42    44    45    48    53    55  
   44    53    55  
   43    44    45    46    47    53    55  
   44    45    55  
   45    46    47    48    53    55    56    49  
   46    47    48    53    55    54    49    50    51    52  
   47    48    55    49  
   48    53    55    56    54    58    66    49    50    51    52  
   53    55    56    57    54    58    59    60    63    66    67    49    50    51    52  
   50    51    52    53    54  
   51    52  
   52  
    0  
   55    56    57    54    58    66  
   58    59    60    61    62    63    64    66    67    55    56  
   56    57  
   57  
    0  
   59    60    61    62    63    75    66    67  
   60    61    62    66  
   61    62    63    64    69    75    76    66  
   62    63    75  
   63    64    65    68    69    70    75    76    77    66    67  
   64    65    68    69    75    76    71    66    67  
   65    68    69    70    75    71    72    73    74    66    67  
   68    69    71    66  
   67    68    75  
    0  
   69    70    75    76    71    72    73    74  
   70    75    76    77    71    72    73    74  
   75    76    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77  
   77  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    44   320.000  1.460
   44    45   469.000  1.400
   44    55   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    53   469.000  1.400
   48    54   320.000  1.460
   53    55   469.000  1.400
   53    56   450.000  1.364
   55    40   310.000  1.470
   40    41   570.000  1.229
   56    57   553.000  0.945
   54    58   549.000  1.340
   54    66   320.000  1.462
   58    59   340.000  1.080
   58    60   320.000  1.462
   60    61   570.000  1.229
   60    62   310.000  1.470
   62    63   469.000  1.400
   62    75   469.000  1.400
   63    64   469.000  1.400
   63    66   310.000  1.470
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    71   317.000  1.510
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   66    67   570.000  1.229
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    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  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    55    65.00000  115.47100
   33    40    41    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    60.00000  123.20500
   42    38    39    40.00000  120.50800
   42    44    45    60.00000  120.93500
   42    44    55    60.00000  120.93500
   44    42    43    85.00000  114.86500
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    55    53    63.00000  120.00000
   44    55    40    60.00000  119.52600
   45    47    48    63.00000  120.00000
   45    47    49    70.00000  120.00000
   47    45    46    35.00000  120.00000
   47    48    53    63.00000  120.00000
   47    48    54    60.00000  118.70000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    52    35.00000  109.50000
   48    53    55    63.00000  120.00000
   48    53    56    70.00000  120.00000
   48    54    58    60.00000  123.66000
   48    54    66    60.00000  124.00000
   53    55    40    60.00000  119.52600
   53    56    57    35.00000  113.00000
   55    44    45    63.00000  120.00000
   55    40    41    75.00000  123.78400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   56    53    55    70.00000  120.00000
   54    48    53    60.00000  118.70000
   54    58    59    35.00000  120.00000
   54    58    60    65.00000  118.96000
   54    66    63    65.00000  117.02400
   54    66    67    80.00000  123.72100
   58    60    61    80.00000  123.72100
   58    60    62    65.00000  117.02400
   60    58    59    40.00000  117.72500
   60    62    63    60.00000  119.52600
   60    62    75    60.00000  119.52600
   62    60    61    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    66    60.00000  119.52600
   62    75    69    63.00000  120.00000
   62    75    76    70.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    68    63.00000  120.00000
   63    66    67    75.00000  123.78400
   64    68    69    63.00000  120.00000
   64    68    71    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    75    63.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    70.00000  120.00000
   75    62    63    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    76    77    35.00000  113.00000
   71    68    69    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   66    54    58    65.00000  118.96000
   66    63    64    60.00000  119.52600
   49    47    48    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    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  -0.62250  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    55   0.65300  1.0 1.0
   29    33    40    55  -0.03850 -1.0 2.0
   29    33    40    55   0.33900  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    55   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   38    33    40    55   0.65300  1.0 1.0
   38    33    40    55  -0.03850 -1.0 2.0
   38    33    40    55   0.33900  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    42    44    45   0.15800  1.0 1.0
   38    42    44    45   1.85350 -1.0 2.0
   38    42    44    45  -0.48700  1.0 3.0
   38    42   -44    55   0.15800  1.0 1.0
   38    42   -44    55   1.85350 -1.0 2.0
   38    42   -44    55  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    55    53   3.62500 -1.0 2.0
   42    44    55    40   3.62500 -1.0 2.0
   43    42    44    45  -0.01750  1.0 1.0
   43    42    44    45  -0.32000 -1.0 2.0
   43    42    44    45   0.00600  1.0 3.0
   43    42    44    55  -0.01750  1.0 1.0
   43    42    44    55  -0.32000 -1.0 2.0
   43    42    44    55   0.00600  1.0 3.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   44    55   -40    33   2.26350  1.0 1.0
   44    55   -40    33   0.76750 -1.0 2.0
   44    55   -40    33   0.22500  1.0 3.0
   44    55    40    41   1.05000 -1.0 2.0
   45    44    55    53   3.62500 -1.0 2.0
   45    44    55    40   3.62500 -1.0 2.0
   45    47   -48    53   3.62500 -1.0 2.0
   45    47    48    54   3.62500 -1.0 2.0
   45    47    49    50   0.00000  1.0 1.0
   45    47    49    51   0.00000  1.0 1.0
   45    47    49    52   0.00000  1.0 1.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    48    53    55   3.62500 -1.0 2.0
   47    48    53    56   3.62500 -1.0 2.0
   47    48    54    58   0.15800  1.0 1.0
   47    48    54    58   1.85350 -1.0 2.0
   47    48    54    58  -0.48700  1.0 3.0
   47    48    54    66  -0.01750  1.0 1.0
   47    48    54    66  -0.32000 -1.0 2.0
   47    48    54    66   0.00600  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    52   0.00000  1.0 1.0
   48    53   -55    44   3.62500 -1.0 2.0
   48    53    55    40   3.62500 -1.0 2.0
   48    53    56    57   0.84100 -1.0 2.0
   48    54    58    59   7.00000 -1.0 2.0
   48    54    58    60   7.00000 -1.0 2.0
   48    54    66    63   1.50000 -1.0 2.0
   48    54    66    67  -0.52200  1.0 1.0
   48    54    66    67   0.82950 -1.0 2.0
   53    48    54    58   0.15800  1.0 1.0
   53    48    54    58   1.85350 -1.0 2.0
   53    48    54    58  -0.48700  1.0 3.0
   53    48    54    66  -0.01750  1.0 1.0
   53    48    54    66  -0.32000 -1.0 2.0
   53    48    54    66   0.00600  1.0 3.0
   53    55    40    33   2.26350  1.0 1.0
   53    55    40    33   0.76750 -1.0 2.0
   53    55    40    33   0.22500  1.0 3.0
   53    55    40    41   1.05000 -1.0 2.0
   55    44    45    46   3.62500 -1.0 2.0
   55    44   -45    47   3.62500 -1.0 2.0
   55    53    56    57   0.84100 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    42  -0.51250  1.0 1.0
   40    33   -38    42  -0.88800 -1.0 2.0
   40    33   -38    42   0.08850  1.0 3.0
   56    53    55    44   3.62500 -1.0 2.0
   56    53    55    40   3.62500 -1.0 2.0
   54    48    53    55   3.62500 -1.0 2.0
   54    48    53    56   3.62500 -1.0 2.0
   54    58    60    61   1.00000 -1.0 2.0
   54    58    60    62  -1.65800  1.0 1.0
   54    58    60    62   0.77650 -1.0 2.0
   58    54    66    63  -1.65800  1.0 1.0
   58    54    66    63   0.77650 -1.0 2.0
   58    54    66    67   1.00000 -1.0 2.0
   58    60   -62    63  -0.11500  1.0 1.0
   58    60   -62    63   1.10450 -1.0 2.0
   58    60   -62    63  -0.48050  1.0 3.0
   58    60    62    75  -0.11500  1.0 1.0
   58    60    62    75   1.10450 -1.0 2.0
   58    60    62    75  -0.48050  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   1.64500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    66   3.62500 -1.0 2.0
   60    62    75    69   3.62500 -1.0 2.0
   60    62    75    76   3.62500 -1.0 2.0
   61    60    62    63   1.05000 -1.0 2.0
   61    60    62    75   1.05000 -1.0 2.0
   62    63    64    65   3.62500 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63   -66    54  -0.11500  1.0 1.0
   62    63   -66    54   1.10450 -1.0 2.0
   62    63   -66    54  -0.48050  1.0 3.0
   62    63    66    67   1.05000 -1.0 2.0
   62    75    76    77   0.84100 -1.0 2.0
   63    62    75    69   3.62500 -1.0 2.0
   63    62    75    76   3.62500 -1.0 2.0
   63    64   -68    69   3.62500 -1.0 2.0
   63    64    68    71   3.62500 -1.0 2.0
   64    63    66    54  -0.11500  1.0 1.0
   64    63    66    54   1.10450 -1.0 2.0
   64    63    66    54  -0.48050  1.0 3.0
   64    63    66    67   1.05000 -1.0 2.0
   64    68    69    70   3.62500 -1.0 2.0
   64    68    69    75   3.62500 -1.0 2.0
   64    68    71    72   0.00000  1.0 1.0
   64    68    71    73   0.00000  1.0 1.0
   64    68    71    74   0.00000  1.0 1.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    71   3.62500 -1.0 2.0
   68    69   -75    62   3.62500 -1.0 2.0
   68    69    75    76   3.62500 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    76    77   0.84100 -1.0 2.0
   70    69    75    62   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   75    62   -63    64   3.62500 -1.0 2.0
   75    62    63    66   3.62500 -1.0 2.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    75   3.62500 -1.0 2.0
   66    54    58    59   7.00000 -1.0 2.0
   66    54   -58    60   7.00000 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    68   3.62500 -1.0 2.0
   49    47    48    53   3.62500 -1.0 2.0
   49    47    48    54   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   45    55    44    42   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   48    49    47    45   4.00000 -1.0 2.0
   53    54    48    47   4.00000 -1.0 2.0
   55    56    53    48   4.00000 -1.0 2.0
   53    40    55    44   4.00000 -1.0 2.0
   33    55    40    41  10.50000 -1.0 2.0
   48    66    54    58   1.10000 -1.0 2.0
   60    59    58    54   1.10000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   63    75    62    60   4.00000 -1.0 2.0
   64    66    63    62   4.00000 -1.0 2.0
   68    65    64    63   1.10000 -1.0 2.0
   69    71    68    64   4.00000 -1.0 2.0
   75    70    69    68   1.10000 -1.0 2.0
   69    76    75    62   4.00000 -1.0 2.0
   54    63    66    67  10.50000 -1.0 2.0
END
