* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    135    213     394
    1     0 S   NP   _N1_     1    28.82932    93.94539   -20.05405
    2     1 S   H    _HN1     2     1.02961    98.72375    24.93315
    3     1 S   H    _H1_     3     1.02838    31.35730   133.44939
    4     1 S   H    _H2_     4     1.02780    82.59071   -82.58690
    5     1 S   CT   _CA1     5     1.50125   139.69015   161.49408
    6     5 S   HC   _HA1     6     1.09569   105.24866    44.01596
    7     5 S   CO3  _C1_     7     1.53830   112.35672   -76.27427
    8     7 S   O2Z  _O11     8     1.26370   114.99571   -43.02463
    9     7 S   O2Z  _O12     9     1.26237   114.94070   136.15003
   10     5 S   CT   _CB1    10     1.53095   107.43855   162.03647
   11    10 S   HC   HB11    11     1.09821   109.45970   -49.37188
   12    10 S   HC   HB12    12     1.09826   110.36783    67.22428
   13    10 S   CT   _CG1    13     1.53002   112.64597  -170.44648
   14    13 S   HC   HG11    14     1.09519   110.43302   -60.59628
   15    13 S   HC   HG12    15     1.09639   110.07905    58.48171
   16    13 S   C    _CD1    16     1.51813   112.20820   178.62172
   17    16 S   O    _OE1    17     1.22731   123.17335   -10.26474
   18    16 S   N    _N2_    18     1.38583   111.69950   170.50883
   19    18 S   H    _HN2    19     1.01591   119.04782     0.53119
   20    18 S   CT1  _CA2    20     1.46241   123.44962  -179.42223
   21    20 S   HC   _HA2    21     1.09733   109.37460   -13.27981
   22    20 S   C    _C2_    22     1.53463   108.38524  -128.93485
   23    22 S   O    _O2_    23     1.23011   122.28982  -146.83968
   24    20 S   CT   _CB2    32     1.53390   111.30254   108.94448
   25    24 S   HC   HB21    33     1.09463   109.35731    54.57273
   26    24 S   HC   HB22    34     1.09280   110.19795   173.32512
   27    22 S   N    _N3_    24     1.38524   113.36605    40.66189
   28    27 S   H    _HN3    25     1.01523   118.89758    -0.66116
   29    24 S   S    _SG2    35     1.82476   111.70662   -68.13248
   30    27 S   CT   _CA3    26     1.45446   123.45703   174.98448
   31    30 S   HC   HA31    27     1.09522   109.25987    24.01775
   32    30 S   HC   HA32    28     1.09495   107.11903   141.03951
   33    29 S   CT   _C22    36     1.85356   100.61946   143.69636
   34    33 S   HC   _H3_    37     1.09116   108.91249   -24.05287
   35    30 S   CO3  _C3_    29     1.52928   113.09436   -99.46270
   36    35 S   O2Z  _O31    30     1.26405   115.40353   -44.07796
   37    35 S   O2Z  _O32    31     1.26355   114.98173   136.84536
   38    33 S   CM   _C17    38     1.53363   109.44424    97.69052
   39    38 S   CM   _C18    39     1.47282   113.65716    82.80498
   40    39 S   HC   _H17    40     1.08738   116.92766  -158.04096
   41    38 S   CMA  _C16    48     1.36534   125.94977  -100.04286
   42    41 S   OM   _O34    49     1.26604   130.33563  -178.14480
   43    39 S   CM   _C19    41     1.34809   122.54623    23.93591
   44    43 S   I    I2__    42     2.08848   118.55791   179.86730
   45    41 S   C5B  _C9_    50     1.44585   120.90405    -1.43559
   46    43 S   CM   _C20    43     1.45982   119.88211     1.92570
   47    45 S   C56B _C10    51     1.43170   127.15429   -71.35185
   48    45 S   C5A  _C8_    62     1.38750   126.66740   109.33977
   49    33 S   CM   _C21    44     1.52398   106.87759  -140.51018
   50    49 S   I    I1__    45     2.08670   117.22642    87.17795
   51    46 S   OH   _O35    46     1.37893   115.90843   164.57683
   52    51 S   HO   _H18    47     0.97326   107.55368   179.87646
   53    47 S   CA   _C11    52     1.40877   135.94459    -0.32805
   54    53 S   HA   _H13    53     1.08601   120.91305    -0.66470
   55    48 S   CT   _C7_    63     1.48695   134.29135     0.48051
   56    55 S   HC   _H11    64     1.09685   109.11676  -137.19292
   57    55 S   HC   _H12    65     1.09627   109.93111   -20.62824
   58    53 S   CA   _C12    54     1.40111   118.88254   179.08678
   59    58 S   HA   _H14    55     1.08708   119.40750  -179.80923
   60    55 S   CT   _C6_    66     1.52936   111.51281   101.46345
   61    60 S   HC   _H9_    67     1.09758   109.82051    58.81542
   62    60 S   HC   _H10    68     1.09717   109.96034   -58.20765
   63    58 S   CA   _C13    56     1.39651   120.96743     0.18767
   64    63 S   HA   _H15    57     1.08729   119.45589   180.00000
   65    60 S   CT   _C5_    69     1.52851   111.24666  -179.74056
   66    65 S   HC   _H7_    70     1.09622   109.86242   -58.80962
   67    65 S   HC   _H8_    71     1.09623   109.85486    58.93063
   68    63 S   CA   _C14    58     1.39796   121.18774     0.08847
   69    68 S   HA   _H16    59     1.08338   121.73635   179.82868
   70    65 S   CT   _C4_    72     1.52032   111.49374  -179.95154
   71    70 S   HC   _H4_    73     1.09469   110.99847   -60.25150
   72    70 S   HC   _H5_    74     1.09449   110.26094  -180.00000
   73    70 S   HC   _H6_    75     1.09468   111.00009    60.26649
   74    47 S   C56A _C15    60     1.38981   105.78133   179.20821
   75    74 S   OA   _O33    61     1.36016   110.45283     0.79721
  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
  12   6   2   1   1  12   9   4  10   3   6   3  12   4  11  11
   3   1   1   1   8   4  11   6   5   6   3  10   5   4   5   3
   6   5   4   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    49    50    51    41    42    45  
   38    39    46    49    50    41  
   36    37  
   37  
    0  
   39    40    43    44    46    49    50    41    42    45    47    48  
   40    43    44    46    49    51    41    42    45  
   43    44    46    41  
   42    45    47    53    74    75    48    55    43    49  
   45    47    48  
   44    46    49    50    51    52  
   46    49    51  
   47    53    54    58    68    74    75    48    55    56    57    60  
   49    50    51    52  
   53    54    58    59    63    68    69    74    75    48    55  
   55    56    57    60    61    62    65    53    68    74    75  
   50    51    52  
   51  
   52  
    0  
   54    58    59    63    64    68    74    75  
   58    59    63    74  
   56    57    60    61    62    65    66    67    70    74    75  
   57    60    61    62    65    75  
   60    61    62    65    75  
   59    63    64    68    69    74  
   63    64    68  
   61    62    65    66    67    70    71    72    73    75  
   62    65    66    67    70  
   65    66    67    70  
   64    68    69    74    75  
   68    69    74  
   66    67    70    71    72    73  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75  
   74    75  
   71    72    73  
   72    73  
   73  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.154400   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.6000  -0.154400   2.1120   1.8750   0.001000000  -0.848554734
   45   3.5500   0.0700  -0.272700   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.154400   2.0020   1.7750   0.023028004  -0.852763146
   50   3.7500   0.6000  -0.154400   2.1120   1.8750   0.001000000  -0.848554734
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.122800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.149800   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
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    49   317.000  1.510
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    43   549.000  1.340
   43    44   100.000  2.157
   43    46   380.000  1.444
   46    49   549.000  1.340
   46    51   510.000  1.338
   49    50   100.000  2.157
   51    52   553.000  0.945
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    47   380.000  1.440
   45    48   520.000  1.370
   47    53   469.000  1.404
   47    74   447.000  1.419
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   425.000  1.380
   75    48   340.000  1.360
   48    55   295.000  1.489
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    49    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    49    46    70.00000  124.00000
   33    49    50    60.00000  117.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    43    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    45    60.00000  123.20500
   39    43    44    60.00000  117.48000
   39    43    46    70.00000  123.01800
   43    39    40    35.00000  120.00000
   43    46    49    70.00000  123.01800
   43    46    51    80.00000  121.38400
   46    43    44    60.00000  117.48000
   46    49    50    60.00000  117.48000
   46    51    52    70.00000  107.45700
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   51    46    49    80.00000  121.38400
   41    38    39    70.00000  117.34000
   41    45    47    65.00000  117.00000
   41    45    48    65.00000  117.00000
   45    41    42    85.00000  114.86500
   45    47    53    50.00000  134.85500
   45    47    74    80.00000  107.43600
   45    48    75    70.00000  108.00000
   45    48    55    55.00000  130.44200
   47    53    54    35.00000  120.00000
   47    53    58    63.00000  120.00000
   47    74    68    85.00000  122.70000
   47    74    75   100.00000  108.43400
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    68    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    74    85.00000  120.00000
   68    63    64    35.00000  120.00000
   68    74    75    70.00000  124.10000
   74    47    53    85.00000  116.20000
   74    68    69    35.00000  120.00000
   74    75    48   110.00000  105.28000
   75    48    55    80.00000  116.10000
   48    45    47    80.00000  105.82900
   48    55    56    45.00000  110.47400
   48    55    57    45.00000  110.47400
   48    55    60    70.00000  113.44400
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    49    46   0.42700  1.0 1.0
   29    33    49    46  -0.70350 -1.0 2.0
   29    33    49    46  -0.43150  1.0 3.0
   29    33    49    50   0.09700  1.0 1.0
   29    33    49    50   0.15600 -1.0 2.0
   29    33    49    50  -0.50800  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    43  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46   0.00000  1.0 1.0
   34    33    49    50   0.00000  1.0 1.0
   38    33    49    46  -0.28300  1.0 1.0
   38    33    49    46   0.26700 -1.0 2.0
   38    33    49    46  -0.63300  1.0 3.0
   38    33    49    50   0.09700  1.0 1.0
   38    33    49    50   0.15600 -1.0 2.0
   38    33    49    50  -0.50800  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    46   7.00000 -1.0 2.0
   38    41    45    47   0.15800  1.0 1.0
   38    41    45    47   1.85350 -1.0 2.0
   38    41    45    47  -0.48700  1.0 3.0
   38    41    45    48   0.15800  1.0 1.0
   38    41    45    48   1.85350 -1.0 2.0
   38    41    45    48  -0.48700  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    43    46    49   0.28850  1.0 1.0
   39    43    46    49   2.61350 -1.0 2.0
   39    43    46    49   0.78400  1.0 3.0
   39    43    46    51   0.50950  1.0 1.0
   39    43    46    51   0.56650 -1.0 2.0
   39    43    46    51   0.34050  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46   -49    33   7.00000 -1.0 2.0
   43    46    49    50   7.00000 -1.0 2.0
   43    46    51    52  -0.66100  1.0 1.0
   43    46    51    52   1.20850 -1.0 2.0
   43    46    51    52  -0.36000  1.0 3.0
   44    43    46    49  -0.18600  1.0 3.0
   44    43    46    51   1.08500 -1.0 2.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41  -0.28300  1.0 1.0
   49    33    38    41   0.26700 -1.0 2.0
   49    33    38    41  -0.63300  1.0 3.0
   49    46    51    52  -0.66100  1.0 1.0
   49    46    51    52   1.20850 -1.0 2.0
   49    46    51    52  -0.36000  1.0 3.0
   51    46    49    33   7.00000 -1.0 2.0
   51    46    49    50   7.00000 -1.0 2.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    43   0.28850  1.0 1.0
   41    38    39    43   2.61350 -1.0 2.0
   41    38    39    43   0.78400  1.0 3.0
   41    45    47    53   3.62500 -1.0 2.0
   41    45    47    74   3.62500 -1.0 2.0
   41    45    48    75   3.62500 -1.0 2.0
   41    45    48    55   3.62500 -1.0 2.0
   42    41    45    47  -0.01750  1.0 1.0
   42    41    45    47  -0.32000 -1.0 2.0
   42    41    45    47   0.00600  1.0 3.0
   42    41    45    48  -0.01750  1.0 1.0
   42    41    45    48  -0.32000 -1.0 2.0
   42    41    45    48   0.00600  1.0 3.0
   45    47    53    54   3.62500 -1.0 2.0
   45    47    53    58   3.62500 -1.0 2.0
   45    47    74    68   3.00000 -1.0 2.0
   45    47   -74    75   3.62500 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    57   0.00000  1.0 1.0
   45    48    55    60   0.04150 -1.0 2.0
   47    45   -48    75   3.62500 -1.0 2.0
   47    45    48    55   3.62500 -1.0 2.0
   47    53    58    59   3.62500 -1.0 2.0
   47    53    58    63   3.62500 -1.0 2.0
   47    74   -75    48   3.62500 -1.0 2.0
   53    47    74    68   3.00000 -1.0 2.0
   53    47    74    75   3.62500 -1.0 2.0
   53    58    63    64   3.62500 -1.0 2.0
   53    58   -63    68   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    63    68    69   3.62500 -1.0 2.0
   58    63    68    74   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    68   3.62500 -1.0 2.0
   63    68   -74    47   3.62500 -1.0 2.0
   63    68    74    75   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    74   3.62500 -1.0 2.0
   68    74    75    48   3.62500 -1.0 2.0
   69    68    74    47   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   74    47    53    54   3.50000 -1.0 2.0
   74    47   -53    58   3.50000 -1.0 2.0
   74    75   -48    45   3.62500 -1.0 2.0
   74    75    48    55   3.62500 -1.0 2.0
   75    48    55    56   0.00000  1.0 1.0
   75    48    55    57   0.00000  1.0 1.0
   75    48    55    60   0.38650  1.0 1.0
   75    48    55    60  -0.24750 -1.0 2.0
   75    48    55    60   0.76750  1.0 3.0
   48    45    47    53   3.62500 -1.0 2.0
   48    45   -47    74   3.50000 -1.0 2.0
   48    55    60    61   0.43200  1.0 3.0
   48    55    60    62   0.43200  1.0 3.0
   48    55    60    65  -0.03700  1.0 1.0
   48    55    60    65   0.37200 -1.0 2.0
   48    55    60    65  -0.47300  1.0 3.0
   55    60    65    66   0.15000  1.0 3.0
   55    60    65    67   0.15000  1.0 3.0
   55    60    65    70   0.56750  1.0 1.0
   55    60    65    70  -0.07550 -1.0 2.0
   55    60    65    70   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    65   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    65   0.15000  1.0 3.0
   60    65    70    71   0.15000  1.0 3.0
   60    65    70    72   0.15000  1.0 3.0
   60    65    70    73   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    70   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    70   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  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    39    38    41   1.10000 -1.0 2.0
   38    40    39    43   1.10000 -1.0 2.0
   46    44    43    39   1.10000 -1.0 2.0
   43    51    46    49   1.10000 -1.0 2.0
   33    50    49    46   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   53    74    47    45   4.00000 -1.0 2.0
   58    54    53    47   1.10000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   68    64    63    58   1.10000 -1.0 2.0
   74    69    68    63   1.10000 -1.0 2.0
   68    75    74    47   4.00000 -1.0 2.0
   75    55    48    45   4.00000 -1.0 2.0
END
