* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    219     391
    1     0 S   NP   _N1_     1    29.80215    91.82996   -16.55122
    2     1 S   H    _HN1     2     1.03296   143.27662    67.30020
    3     1 S   H    _H1_     3     1.02874    39.01453    95.80552
    4     1 S   H    _H2_     4     1.02779    81.03133   -38.67677
    5     1 S   CT   _CA1     5     1.50484    97.23445  -150.30367
    6     5 S   HC   _HA1     6     1.09608   104.49274    32.70393
    7     5 S   CO3  _C1_     7     1.54545   112.06387   -83.20552
    8     7 S   O2Z  _O11     8     1.26659   114.50188    25.54407
    9     7 S   O2Z  _O12     9     1.26053   116.41828  -154.85138
   10     5 S   CT   _CB1    10     1.53259   106.75304   149.67651
   11    10 S   HC   HB11    11     1.09856   110.08661   -34.16488
   12    10 S   HC   HB12    12     1.09755   109.70706    82.02245
   13    10 S   CT   _CG1    13     1.53109   113.40833  -154.76389
   14    13 S   HC   HG11    14     1.09403   112.04301   -62.57249
   15    13 S   HC   HG12    15     1.09607   110.43176    56.88216
   16    13 S   C    _CD1    16     1.51530   110.24912   176.31959
   17    16 S   O    _OE1    17     1.22837   121.82252  -103.13067
   18    16 S   N    _N2_    18     1.38297   112.80178    75.69333
   19    18 S   H    _HN2    19     1.01607   118.92308     6.95869
   20    18 S   CT1  _CA2    20     1.45910   123.14754  -178.29154
   21    20 S   HC   _HA2    21     1.09726   108.92532    21.52340
   22    20 S   C    _C2_    22     1.52820   107.26412   -95.78990
   23    22 S   O    _O2_    23     1.22943   122.92017   -27.55270
   24    20 S   CT   _CB2    32     1.53281   111.71427   144.38637
   25    24 S   HC   HB21    33     1.09407   109.35999    55.68496
   26    24 S   HC   HB22    34     1.09503   110.85065   174.36042
   27    22 S   N    _N3_    24     1.38615   112.38892   155.23829
   28    27 S   H    _HN3    25     1.01503   119.71439     1.23162
   29    24 S   S    _SG2    35     1.82756   110.54208   -65.75360
   30    27 S   CT   _CA3    26     1.45450   122.84418   175.87564
   31    30 S   HC   HA31    27     1.09537   108.99535    29.87459
   32    30 S   HC   HA32    28     1.09482   107.20040   146.96816
   33    29 S   CT   _C22    36     1.84858   100.32936   163.43256
   34    33 S   HC   _H4_    37     1.09809   106.93987    50.92547
   35    30 S   CO3  _C3_    29     1.53006   113.35575   -93.27475
   36    35 S   O2Z  _O31    30     1.26388   115.62002   -37.26620
   37    35 S   O2Z  _O32    31     1.26381   114.83572   143.63040
   38    33 S   CO4  _C23    38     1.51233   108.28596   -66.62261
   39    38 S   O    _O36    39     1.22806   122.16406   105.77900
   40    38 S   CA   _C18    40     1.48130   117.15017   -71.79951
   41    40 S   CA   _C19    41     1.40852   119.85813   -23.32392
   42    41 S   CA   _C14    42     1.41849   118.98611   174.03773
   43    41 S   CO4  _C20    70     1.50823   119.31538    -7.38230
   44    43 S   O    _O35    71     1.23190   120.43954  -168.71088
   45    42 S   CA   _C15    43     1.40964   119.05783     1.46914
   46    42 S   CM   _C12    51     1.49167   123.35328  -177.32768
   47    33 S   CT   _C21    72     1.53842   110.76563   171.67699
   48    47 S   OM   _O37    73     1.32548   108.82309  -169.68199
   49    47 S   HC   _H3_    74     1.10090   106.79311   -39.79804
   50    45 S   CA   _C16    44     1.39101   121.42463     0.88625
   51    50 S   HA   _H7_    45     1.08682   120.72567   179.39964
   52    45 S   OH   _O39    49     1.37295   119.58636  -178.57248
   53    52 S   HO   _H9_    50     0.97442   108.79450   169.17334
   54    46 S   CO4  _C13    52     1.49139   116.56139   -93.05747
   55    54 S   O    _O34    53     1.22748   121.22358    -4.81381
   56    40 S   CA   _C17    46     1.40350   119.60307   153.53520
   57    54 S   CA   _C8_    54     1.46935   118.53421   174.50959
   58    56 S   OH   _O38    47     1.36941   123.54118     3.58856
   59    58 S   HO   _H8_    48     0.97370   109.02365     5.49316
   60    57 S   CA   _C9_    55     1.39176   119.07594     6.07990
   61    60 S   CA   _C4_    56     1.40462   120.01159   179.68102
   62    61 S   HA   _H5_    57     1.08710   120.61913   179.96574
   63    60 S   CO4  _C10    66     1.47598   121.22671     0.25179
   64    63 S   O    _O33    67     1.23101   118.16599   173.23088
   65    61 S   CA   _C5_    58     1.39282   119.89671     0.08156
   66    46 S   CMA  _C11    68     1.35577   119.37451    87.64456
   67    66 S   OM   _O40    69     1.26652   129.84855    -0.51434
   68    65 S   CA   _C6_    59     1.38843   120.65651    -0.07913
   69    68 S   HA   _H6_    60     1.08657   120.30243   180.00000
   70    65 S   OH   _O42    64     1.36607   121.10955   179.93744
   71    70 S   HO   _H11    65     0.97250   108.65094    -0.16313
   72    57 S   CA   _C7_    61     1.40591   121.63139  -174.22525
   73    72 S   OH   _O41    62     1.36974   123.40708     0.43251
   74    73 S   HO   _H10    63     0.97415   108.75859     0.14402
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  11   7   2   1   1  11   4  12  14  16   7   3   9  11   2   1
   1   6   3   2   1  10   4   2  12   1   1  11  10   4   5   2
   6   1   1   6   3   2   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    56    43    44    47    48    49  
   38    39    40    43    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    56    58    43    47    48    49  
   40    41    56    47  
   41    42    45    50    51    56    58    59    46    43    44    47  
   42    45    50    56    58    52    46    54    66    43    44    47    48    49  
   45    50    51    56    52    53    46    54    55    57    63    66    67    43    44    47  
   44    47    48    49    45    46    56  
   47    48    49  
   50    51    56    58    52    53    46    54    66  
   54    55    57    60    72    63    64    66    67    50    52  
   48    49  
   49  
    0  
   51    56    58    59    52    53  
   56    58    52  
   53    56  
    0  
   55    57    60    61    68    72    73    63    66    67  
   57    60    72    66  
   58    59  
   60    61    62    65    68    69    72    73    74    63    64    66  
   59  
    0  
   61    62    65    68    72    73    70    63    64    66    67  
   62    65    68    69    72    70    71    63    64    66  
   65    68    70    63  
   64    66    67    65    72  
   66    67  
   68    69    72    73    70    71  
   67  
    0  
   69    72    73    74    70    71  
   72    73    70  
   71    72  
    0  
   73    74  
   74  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   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  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    56   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    46   320.000  1.460
   45    50   469.000  1.400
   45    52   450.000  1.364
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    58   450.000  1.364
   58    59   553.000  0.945
   52    53   553.000  0.945
   46    54   320.000  1.462
   46    66   465.000  1.376
   54    55   570.000  1.229
   54    57   310.000  1.470
   57    60   469.000  1.400
   57    72   469.000  1.400
   60    61   469.000  1.400
   60    63   310.000  1.470
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   70    71   553.000  0.945
   63    64   570.000  1.229
   63    66   270.000  1.476
   66    67   745.000  1.250
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   570.000  1.307
   47    49   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  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    43    63.00000  111.10000
   33    47    48    50.00000  109.50000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    56    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    56    50    63.00000  120.00000
   40    56    58    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    60.00000  118.70000
   41    43    44    75.00000  123.78400
   41    43    47    65.00000  115.47100
   42    45    50    63.00000  120.00000
   42    45    52    70.00000  120.00000
   42    46    54    60.00000  124.00000
   42    46    66    60.00000  123.66000
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    52    53    35.00000  113.00000
   50    56    58    70.00000  120.00000
   56    40    41    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    58    59    35.00000  113.00000
   52    45    50    70.00000  120.00000
   46    42    45    60.00000  118.70000
   46    54    55    80.00000  123.72100
   46    54    57    65.00000  117.02400
   46    66    63    65.00000  114.61000
   46    66    67    65.00000  137.10300
   54    57    60    60.00000  119.52600
   54    57    72    60.00000  119.52600
   57    54    55    75.00000  123.78400
   57    60    61    63.00000  120.00000
   57    60    63    60.00000  119.52600
   57    72    68    63.00000  120.00000
   57    72    73    70.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    75.00000  123.78400
   60    63    66    60.00000  117.44000
   61    65    68    63.00000  120.00000
   61    65    70    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   65    70    71    35.00000  113.00000
   68    72    73    70.00000  120.00000
   72    57    60    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    73    74    35.00000  113.00000
   70    65    68    70.00000  120.00000
   63    60    61    60.00000  119.52600
   63    66    67    85.00000  116.28000
   66    46    54    60.00000  125.92000
   66    63    64    80.00000  120.81000
   43    41    42    60.00000  119.52600
   43    47    48    90.00000  108.74100
   43    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    44    80.00000  120.40000
   49    47    48    45.00000  125.66300
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.56750  1.0 1.0
   29    33    47    43  -0.07550 -1.0 2.0
   29    33    47    43   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    56   2.26350  1.0 1.0
   33    38    40    56   0.76750 -1.0 2.0
   33    38    40    56   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43  -0.11250  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    43   0.11950  1.0 1.0
   38    33    47    43   0.20300 -1.0 2.0
   38    33    47    43  -0.70800  1.0 3.0
   38    33    47    48  -0.09450  1.0 1.0
   38    33    47    48  -1.12950 -1.0 2.0
   38    33    47    48   0.54000  1.0 3.0
   38    33    47    49  -0.11250  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    56    50   3.62500 -1.0 2.0
   38    40    56    58   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    56   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    47   2.26350  1.0 1.0
   40    41    43    47   0.76750 -1.0 2.0
   40    41    43    47   0.22500  1.0 3.0
   40    56    58    59   0.84100 -1.0 2.0
   41    40    56    50   3.62500 -1.0 2.0
   41    40    56    58   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    45    52   3.62500 -1.0 2.0
   41    42    46    54  -0.01750  1.0 1.0
   41    42    46    54  -0.32000 -1.0 2.0
   41    42    46    54   0.00600  1.0 3.0
   41    42    46    66   0.15800  1.0 1.0
   41    42    46    66   1.85350 -1.0 2.0
   41    42    46    66  -0.48700  1.0 3.0
   41    43   -47    33   0.05850 -1.0 2.0
   41    43   -47    33   0.17250  1.0 3.0
   41    43    47    48   0.65300  1.0 1.0
   41    43    47    48  -0.03850 -1.0 2.0
   41    43    47    48   0.33900  1.0 3.0
   41    43    47    49   0.00000  1.0 1.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    47   2.26350  1.0 1.0
   42    41    43    47   0.76750 -1.0 2.0
   42    41    43    47   0.22500  1.0 3.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    56   3.62500 -1.0 2.0
   42    45    52    53   0.84100 -1.0 2.0
   42    46    54    55  -0.52200  1.0 1.0
   42    46    54    55   0.82950 -1.0 2.0
   42    46    54    57   1.50000 -1.0 2.0
   42    46    66    63   7.00000 -1.0 2.0
   42    46    66    67   7.00000 -1.0 2.0
   45    42    46    54  -0.01750  1.0 1.0
   45    42    46    54  -0.32000 -1.0 2.0
   45    42    46    54   0.00600  1.0 3.0
   45    42    46    66   0.15800  1.0 1.0
   45    42    46    66   1.85350 -1.0 2.0
   45    42    46    66  -0.48700  1.0 3.0
   45    50   -56    40   3.62500 -1.0 2.0
   45    50    56    58   3.62500 -1.0 2.0
   50    45    52    53   0.84100 -1.0 2.0
   50    56    58    59   0.84100 -1.0 2.0
   51    50    56    40   3.62500 -1.0 2.0
   51    50    56    58   3.62500 -1.0 2.0
   56    40   -41    42   3.62500 -1.0 2.0
   56    40    41    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    56   3.62500 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   46    42    45    52   3.62500 -1.0 2.0
   46    54    57    60  -0.11500  1.0 1.0
   46    54    57    60   1.10450 -1.0 2.0
   46    54    57    60  -0.48050  1.0 3.0
   46    54    57    72  -0.11500  1.0 1.0
   46    54    57    72   1.10450 -1.0 2.0
   46    54    57    72  -0.48050  1.0 3.0
   54    46    66    63   7.00000 -1.0 2.0
   54    46    66    67   7.00000 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57   -60    63   3.62500 -1.0 2.0
   54    57    72    68   3.62500 -1.0 2.0
   54    57    72    73   3.62500 -1.0 2.0
   55    54    57    60   1.05000 -1.0 2.0
   55    54    57    72   1.05000 -1.0 2.0
   57    60    61    62   3.62500 -1.0 2.0
   57    60    61    65   3.62500 -1.0 2.0
   57    60    63    64   1.05000 -1.0 2.0
   57    60    63    66  -0.11500  1.0 1.0
   57    60    63    66   1.10450 -1.0 2.0
   57    60    63    66  -0.48050  1.0 3.0
   57    72    73    74   0.84100 -1.0 2.0
   60    57    72    68   3.62500 -1.0 2.0
   60    57    72    73   3.62500 -1.0 2.0
   60    61   -65    68   3.62500 -1.0 2.0
   60    61    65    70   3.62500 -1.0 2.0
   60    63   -66    46  -1.65800  1.0 1.0
   60    63   -66    46   0.77650 -1.0 2.0
   60    63    66    67   1.50000 -1.0 2.0
   61    60    63    64   1.05000 -1.0 2.0
   61    60    63    66  -0.11500  1.0 1.0
   61    60    63    66   1.10450 -1.0 2.0
   61    60    63    66  -0.48050  1.0 3.0
   61    65    68    69   3.62500 -1.0 2.0
   61    65    68    72   3.62500 -1.0 2.0
   61    65    70    71   0.84100 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   62    61    65    70   3.62500 -1.0 2.0
   65    68   -72    57   3.62500 -1.0 2.0
   65    68    72    73   3.62500 -1.0 2.0
   68    65    70    71   0.84100 -1.0 2.0
   68    72    73    74   0.84100 -1.0 2.0
   69    68    72    57   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   72    57   -60    61   3.62500 -1.0 2.0
   72    57    60    63   3.62500 -1.0 2.0
   70    65    68    69   3.62500 -1.0 2.0
   70    65    68    72   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   64    63    66    46   1.00000 -1.0 2.0
   64    63    66    67  -0.11900  1.0 1.0
   64    63    66    67   0.76850 -1.0 2.0
   64    63    66    67   0.14100  1.0 3.0
   66    46    54    55   1.00000 -1.0 2.0
   66    46   -54    57  -1.65800  1.0 1.0
   66    46   -54    57   0.77650 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   44    43    47    33   0.30150 -1.0 2.0
   44    43    47    48   0.30150 -1.0 2.0
   44    43    47    49   0.00000  1.0 1.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  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
   33    40    38    39  10.50000 -1.0 2.0
   41    56    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    52    45    42   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   50    58    56    40   4.00000 -1.0 2.0
   42    54    46    66   1.10000 -1.0 2.0
   46    57    54    55  10.50000 -1.0 2.0
   60    72    57    54   4.00000 -1.0 2.0
   61    63    60    57   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   68    70    65    61   4.00000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   68    73    72    57   4.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
   63    67    66    46   1.10000 -1.0 2.0
   41    47    43    44  10.50000 -1.0 2.0
END
