* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    132    224     398
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065    88.36118    43.08691
    3     1 S   H    _H1_     3     1.02133    33.01745   172.33707
    4     1 S   H    _H2_     4     1.02081    92.10188   -65.58516
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.87822    98.14498  -178.24253
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C14    37     1.54576   106.46746   -59.98259
   38    33 S   CO4  _C13    56     1.54213   106.80141   179.37945
   39    38 S   O    _O34    57     1.22784   123.73731   106.05855
   40    37 S   CA   _C19    38     1.40128   123.39627   -56.76917
   41    38 S   CA   _C8_    58     1.48707   118.24566   -73.99490
   42    40 S   CA   _C18    39     1.39277   119.47268  -179.97202
   43    41 S   CA   _C9_    59     1.39676   121.12040   -16.76018
   44    42 S   CA   _C17    40     1.39919   120.36713    -0.00000
   45    42 S   CO4  _C23    48     1.46649   119.87545  -180.00000
   46    45 S   O    _O36    49     1.22451   122.98961  -179.98022
   47    43 S   CA   _C4_    60     1.39956   120.09524   178.71595
   48    47 S   HA   _H4_    61     1.08761   120.92959  -178.88478
   49    43 S   CO4  _C10    70     1.47876   120.49254    -1.90177
   50    49 S   O    _O33    71     1.22734   120.72735   174.31187
   51    44 S   CA   _C16    41     1.39470   119.92232     0.02798
   52    51 S   HA   _H6_    42     1.08751   120.07182   180.00000
   53    44 S   OH   _O38    46     1.36315   122.76264  -179.96044
   54    53 S   HO   _H8_    47     0.97038   110.08968    -0.03956
   55    45 S   CM   _C22    50     1.47579   117.45707    -0.07402
   56    55 S   HC   _H7_    51     1.08948   114.59259  -179.91377
   57    47 S   CA   _C5_    62     1.39520   119.95563     0.50552
   58    33 S   CT   _C11    72     1.54633   108.13621    63.63623
   59    58 S   HC   _H3_    73     1.08905   113.10403   -60.05027
   60    37 S   CA   _C15    43     1.39595   116.41471   123.24355
   61    55 S   CMA  _C21    52     1.34530   125.71711     0.02798
   62    61 S   OM   _O37    53     1.26269   128.58837  -179.97202
   63    57 S   CA   _C6_    63     1.39293   120.05035     0.01978
   64    63 S   HA   _H5_    64     1.08782   119.84147   179.38452
   65    57 S   OH   _O42    68     1.36129   119.95526  -179.83687
   66    65 S   HO   _H12    69     0.97002   110.22955     0.00000
   67    58 S   OH   _O40    74     1.42847   110.40322   179.72589
   68    67 S   HO   _H10    75     0.97089   106.80155   177.37968
   69    60 S   OH   _O39    44     1.36340   121.13253    -0.04423
   70    69 S   HO   _H9_    45     0.96901   110.17138   180.00000
   71    40 S   CO4  _C20    54     1.47857   119.55332    -0.00000
   72    71 S   O    _O35    55     1.22931   120.62552    -0.00000
   73    41 S   CA   _C7_    65     1.40064   119.21607   162.75752
   74    73 S   OH   _O41    66     1.36448   122.62114     2.35451
   75    74 S   HO   _H11    67     0.96969   110.14795    -1.28907
  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
  18   2   1   1  19  13   4  14  12  13  12  10   8   3  10   4
   7   3   6   3   2   1   5   3   6   4   2   3   3   2   6   3
   2   1   1   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    60    38    39    41    49    58    59    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    60    69    71    38    39    41    43    73    49    50    58    59    67    68  
   35    36  
   36  
    0  
   40    42    44    51    52    60    69    70    45    61    71    72    38    39    41    49    58    59    67  
   39    41    43    47    63    73    74    49    58    59    67    40    60  
   41    43    73    58  
   42    44    51    60    69    53    45    46    55    61    62    71    72    58  
   43    47    48    57    63    64    73    74    75    49    50    58  
   44    51    52    60    53    54    45    46    55    56    61    71    72  
   47    48    57    63    73    74    65    49    50    58    59    67  
   51    52    60    69    53    54    45    46    55    71  
   46    55    56    61    62    71    51    53  
   55    56    61  
   48    57    63    64    73    65    66    49    50    58  
   57    63    65    49  
   50    58    59    67    68    57    73  
   58    59    67  
   52    60    69    70    53    54  
   60    69    53  
   54    60  
    0  
   56    61    62    71    72  
   61    62    71  
   63    64    73    74    65    66  
   59    67    68    60  
   67    68  
   69    70    71  
   62    71    72  
   71    72  
   64    73    74    75    65    66  
   73    74    65  
   66    73  
    0  
   68  
    0  
   70  
    0  
   72  
    0  
   74    75  
   75  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    58   268.000  1.529
   37    40   469.000  1.400
   37    60   469.000  1.400
   40    42   469.000  1.400
   40    71   310.000  1.470
   42    44   469.000  1.400
   42    45   310.000  1.470
   44    51   469.000  1.400
   44    53   450.000  1.364
   51    52   367.000  1.080
   51    60   469.000  1.400
   60    69   450.000  1.364
   69    70   553.000  0.945
   53    54   553.000  0.945
   45    46   570.000  1.229
   45    55   320.000  1.462
   55    56   340.000  1.080
   55    61   465.000  1.376
   61    62   745.000  1.250
   61    71   270.000  1.476
   71    72   570.000  1.229
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    73   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    63   469.000  1.400
   57    65   450.000  1.364
   63    64   367.000  1.080
   63    73   469.000  1.400
   73    74   450.000  1.364
   74    75   553.000  0.945
   65    66   553.000  0.945
   49    50   570.000  1.229
   49    58   317.000  1.522
   58    59   340.000  1.090
   58    67   320.000  1.410
   67    68   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    58    75.00000  111.63000
   33    37    40    70.00000  120.00000
   33    37    60    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    67    50.00000  109.50000
   37    40    42    63.00000  120.00000
   37    40    71    60.00000  119.52600
   37    60    51    63.00000  120.00000
   37    60    69    70.00000  120.00000
   40    42    44    63.00000  120.00000
   40    42    45    60.00000  119.52600
   40    71    61    60.00000  117.44000
   40    71    72    75.00000  123.78400
   42    44    51    63.00000  120.00000
   42    44    53    70.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    55    65.00000  117.02400
   44    51    52    35.00000  120.00000
   44    51    60    63.00000  120.00000
   44    53    54    35.00000  113.00000
   51    60    69    70.00000  120.00000
   60    37    40    63.00000  120.00000
   60    51    52    35.00000  120.00000
   60    69    70    35.00000  113.00000
   53    44    51    70.00000  120.00000
   45    42    44    60.00000  119.52600
   45    55    56    40.00000  117.72500
   45    55    61    60.00000  125.92000
   55    45    46    80.00000  123.72100
   55    61    62    65.00000  137.10300
   55    61    71    65.00000  114.61000
   61    55    56    40.00000  120.50800
   61    71    72    80.00000  120.81000
   71    40    42    60.00000  119.52600
   71    61    62    85.00000  116.28000
   38    33    37    70.00000  110.93000
   38    41    43    60.00000  119.52600
   38    41    73    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    73    63    63.00000  120.00000
   41    73    74    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    58    65.00000  115.47100
   47    57    63    63.00000  120.00000
   47    57    65    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    73    63.00000  120.00000
   57    65    66    35.00000  113.00000
   63    73    74    70.00000  120.00000
   73    41    43    63.00000  120.00000
   73    63    64    35.00000  120.00000
   73    74    75    35.00000  113.00000
   65    57    63    70.00000  120.00000
   49    43    47    60.00000  119.52600
   49    58    59    35.00000  109.50000
   49    58    67    90.00000  109.61100
   58    33    37    70.00000  112.17500
   58    33    38    63.00000  111.10000
   58    49    50    80.00000  120.40000
   58    67    68    55.00000  108.50000
   67    58    59    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    60  -0.16000  1.0 1.0
   29    33    37    60  -0.03200 -1.0 2.0
   29    33    37    60   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.56750  1.0 1.0
   29    33    58    49  -0.07550 -1.0 2.0
   29    33    58    49   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    67   0.56750  1.0 1.0
   29    33    58    67  -0.07550 -1.0 2.0
   29    33    58    67   0.20000  1.0 3.0
   33    37    40    42   3.62500 -1.0 2.0
   33    37    40    71   3.62500 -1.0 2.0
   33    37    60    51   3.62500 -1.0 2.0
   33    37    60    69   3.62500 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    73   2.26350  1.0 1.0
   33    38    41    73   0.76750 -1.0 2.0
   33    38    41    73   0.22500  1.0 3.0
   33    58    67    68  -0.11600  1.0 1.0
   33    58    67    68  -0.09450 -1.0 2.0
   33    58    67    68   0.21250  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49   0.56750  1.0 1.0
   37    33    58    49  -0.07550 -1.0 2.0
   37    33    58    49   0.20000  1.0 3.0
   37    33    58    59   0.43200  1.0 3.0
   37    33    58    67   1.13150  1.0 1.0
   37    33    58    67  -1.01400 -1.0 2.0
   37    40    42    44   3.62500 -1.0 2.0
   37    40    42    45   3.62500 -1.0 2.0
   37    40    71    61  -0.11500  1.0 1.0
   37    40    71    61   1.10450 -1.0 2.0
   37    40    71    61  -0.48050  1.0 3.0
   37    40    71    72   1.05000 -1.0 2.0
   37    60    69    70   0.84100 -1.0 2.0
   40    37    60    51   3.62500 -1.0 2.0
   40    37    60    69   3.62500 -1.0 2.0
   40    42   -44    51   3.62500 -1.0 2.0
   40    42    44    53   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    55  -0.11500  1.0 1.0
   40    42    45    55   1.10450 -1.0 2.0
   40    42    45    55  -0.48050  1.0 3.0
   42    40    71    61  -0.11500  1.0 1.0
   42    40    71    61   1.10450 -1.0 2.0
   42    40    71    61  -0.48050  1.0 3.0
   42    40    71    72   1.05000 -1.0 2.0
   42    44    51    52   3.62500 -1.0 2.0
   42    44    51    60   3.62500 -1.0 2.0
   42    44    53    54   0.84100 -1.0 2.0
   42    45    55    56   1.64500 -1.0 2.0
   42    45   -55    61  -1.65800  1.0 1.0
   42    45   -55    61   0.77650 -1.0 2.0
   44    42    45    46   1.05000 -1.0 2.0
   44    42    45    55  -0.11500  1.0 1.0
   44    42    45    55   1.10450 -1.0 2.0
   44    42    45    55  -0.48050  1.0 3.0
   44    51   -60    37   3.62500 -1.0 2.0
   44    51    60    69   3.62500 -1.0 2.0
   51    44    53    54   0.84100 -1.0 2.0
   51    60    69    70   0.84100 -1.0 2.0
   52    51    60    37   3.62500 -1.0 2.0
   52    51    60    69   3.62500 -1.0 2.0
   60    37   -40    42   3.62500 -1.0 2.0
   60    37    40    71   3.62500 -1.0 2.0
   53    44    51    52   3.62500 -1.0 2.0
   53    44    51    60   3.62500 -1.0 2.0
   45    42    44    51   3.62500 -1.0 2.0
   45    42    44    53   3.62500 -1.0 2.0
   45    55    61    62   7.00000 -1.0 2.0
   45    55    61    71   7.00000 -1.0 2.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    61   1.00000 -1.0 2.0
   55    61   -71    40  -1.65800  1.0 1.0
   55    61   -71    40   0.77650 -1.0 2.0
   55    61    71    72   1.00000 -1.0 2.0
   56    55    61    62   7.00000 -1.0 2.0
   56    55    61    71   7.00000 -1.0 2.0
   62    61    71    40   1.50000 -1.0 2.0
   62    61    71    72  -0.11900  1.0 1.0
   62    61    71    72   0.76850 -1.0 2.0
   62    61    71    72   0.14100  1.0 3.0
   71    40    42    44   3.62500 -1.0 2.0
   71    40   -42    45   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    60   0.04300 -1.0 2.0
   38    33    58    49   0.11950  1.0 1.0
   38    33    58    49   0.20300 -1.0 2.0
   38    33    58    49  -0.70800  1.0 3.0
   38    33    58    59  -0.11250  1.0 3.0
   38    33    58    67  -0.09450  1.0 1.0
   38    33    58    67  -1.12950 -1.0 2.0
   38    33    58    67   0.54000  1.0 3.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    73    63   3.62500 -1.0 2.0
   38    41    73    74   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    73   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    58   2.26350  1.0 1.0
   41    43    49    58   0.76750 -1.0 2.0
   41    43    49    58   0.22500  1.0 3.0
   41    73    74    75   0.84100 -1.0 2.0
   43    41    73    63   3.62500 -1.0 2.0
   43    41    73    74   3.62500 -1.0 2.0
   43    47   -57    63   3.62500 -1.0 2.0
   43    47    57    65   3.62500 -1.0 2.0
   43    49   -58    33   0.05850 -1.0 2.0
   43    49   -58    33   0.17250  1.0 3.0
   43    49    58    59   0.00000  1.0 1.0
   43    49    58    67   0.65300  1.0 1.0
   43    49    58    67  -0.03850 -1.0 2.0
   43    49    58    67   0.33900  1.0 3.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    58   2.26350  1.0 1.0
   47    43    49    58   0.76750 -1.0 2.0
   47    43    49    58   0.22500  1.0 3.0
   47    57    63    64   3.62500 -1.0 2.0
   47    57    63    73   3.62500 -1.0 2.0
   47    57    65    66   0.84100 -1.0 2.0
   48    47    57    63   3.62500 -1.0 2.0
   48    47    57    65   3.62500 -1.0 2.0
   57    63   -73    41   3.62500 -1.0 2.0
   57    63    73    74   3.62500 -1.0 2.0
   63    57    65    66   0.84100 -1.0 2.0
   63    73    74    75   0.84100 -1.0 2.0
   64    63    73    41   3.62500 -1.0 2.0
   64    63    73    74   3.62500 -1.0 2.0
   73    41   -43    47   3.62500 -1.0 2.0
   73    41    43    49   3.62500 -1.0 2.0
   65    57    63    64   3.62500 -1.0 2.0
   65    57    63    73   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   49    58    67    68   0.91850  1.0 1.0
   49    58    67    68   0.57950  1.0 3.0
   50    49    58    33   0.30150 -1.0 2.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    67   0.30150 -1.0 2.0
   58    33    37    40   0.04150 -1.0 2.0
   58    33    37    60   0.04150 -1.0 2.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.05850 -1.0 2.0
   58    33   -38    41   0.17250  1.0 3.0
   59    58    67    68   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    60    37    33   4.00000 -1.0 2.0
   42    71    40    37   4.00000 -1.0 2.0
   44    45    42    40   4.00000 -1.0 2.0
   51    53    44    42   4.00000 -1.0 2.0
   60    52    51    44   1.10000 -1.0 2.0
   51    69    60    37   4.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   45    56    55    61   1.10000 -1.0 2.0
   71    62    61    55   1.10000 -1.0 2.0
   40    61    71    72  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    73    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   63    65    57    47   4.00000 -1.0 2.0
   73    64    63    57   1.10000 -1.0 2.0
   63    74    73    41   4.00000 -1.0 2.0
   43    58    49    50  10.50000 -1.0 2.0
END
