* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    219     391
    1     0 S   NP   _N1_     1    28.82478    97.24020   -21.31398
    2     1 S   H    _HN1     2     1.02821    42.38730   132.12425
    3     1 S   H    _H1_     3     1.02785   103.74352  -126.12804
    4     1 S   H    _H2_     4     1.02944    68.66816   -21.46145
    5     1 S   CT   _CA1     5     1.50146   141.62914    74.73151
    6     5 S   HC   _HA1     6     1.09464   105.08599    96.55427
    7     5 S   CO3  _C1_     7     1.53784   112.44389   -23.78419
    8     7 S   O2Z  _O11     8     1.26413   114.94662   -39.82701
    9     7 S   O2Z  _O12     9     1.26180   115.05499   139.13482
   10     5 S   CT   _CB1    10     1.53010   107.39958  -145.34962
   11    10 S   HC   HB11    11     1.09840   109.52763   -47.17715
   12    10 S   HC   HB12    12     1.09810   110.38281    69.48293
   13    10 S   CT   _CG1    13     1.52963   112.61249  -168.01542
   14    13 S   HC   HG11    14     1.09558   110.84882   -64.47144
   15    13 S   HC   HG12    15     1.09488   109.61346    54.84563
   16    13 S   C    _CD1    16     1.51695   112.02281   175.14425
   17    16 S   O    _OE1    17     1.22796   123.20288     9.74675
   18    16 S   N    _N2_    18     1.38503   111.90455  -170.87652
   19    18 S   H    _HN2    19     1.01771   119.36866    -0.46646
   20    18 S   CT1  _CA2    20     1.45966   122.53378   179.57849
   21    20 S   HC   _HA2    21     1.09775   108.23358    31.57707
   22    20 S   C    _C2_    22     1.53121   110.13651   -84.36748
   23    22 S   O    _O2_    23     1.23189   120.69249   156.57781
   24    20 S   CT   _CB2    32     1.53207   111.62456   153.81415
   25    24 S   HC   HB21    33     1.09384   110.17468    56.44755
   26    24 S   HC   HB22    34     1.09538   110.41677   174.64291
   27    22 S   N    _N3_    24     1.38179   114.85543   -29.83901
   28    27 S   H    _HN3    25     1.01646   119.30749     3.54762
   29    24 S   S    _SG2    35     1.83254   110.18813   -66.68694
   30    27 S   CT   _CA3    26     1.45352   123.18982   178.91845
   31    30 S   HC   HA31    27     1.09546   108.65509    35.59339
   32    30 S   HC   HA32    28     1.09472   107.26120   152.58854
   33    29 S   CT   _C21    36     1.84476   101.70959   138.58498
   34    33 S   OM   _O37    37     1.32008   108.36657  -172.59440
   35    30 S   CO3  _C3_    29     1.53105   113.91270   -87.31685
   36    35 S   O2Z  _O31    30     1.26367   116.12556   -31.90415
   37    35 S   O2Z  _O32    31     1.26501   114.58437   148.93739
   38    33 S   CO4  _C20    38     1.53230   110.01212   -57.35536
   39    38 S   O    _O35    39     1.23170   121.44070   -38.30696
   40    33 S   CT   _C22    49     1.52333   109.46835    67.51422
   41    40 S   HC   _H6_    50     1.09966   112.01214    67.50735
   42    40 S   HC   _H7_    51     1.09793   112.33879   -52.88303
   43    38 S   CA   _C19    40     1.50945   118.70304   144.82038
   44    43 S   CA   _C14    41     1.41915   121.24726  -174.82528
   45    44 S   CA   _C15    42     1.40930   119.15954  -173.44363
   46    44 S   CM   _C12    56     1.49205   123.45734     9.68436
   47    45 S   CA   _C16    43     1.39046   121.36369    -1.11259
   48    47 S   HA   _H5_    44     1.08651   120.76486   179.92598
   49    45 S   OH   _O39    54     1.37269   119.50318   179.14408
   50    49 S   HO   _H9_    55     0.97190   108.93753   178.64578
   51    46 S   CO4  _C13    57     1.49082   117.08911  -100.06866
   52    51 S   O    _O34    58     1.22736   121.20357     5.59521
   53    47 S   CA   _C17    45     1.38988   119.36085    -1.55343
   54    51 S   CA   _C8_    59     1.47014   118.43032  -173.32512
   55    43 S   CA   _C18    46     1.40996   119.66498     7.71518
   56    53 S   OH   _O38    52     1.37010   115.56902  -177.93834
   57    56 S   HO   _H8_    53     0.97387   108.91761  -176.77378
   58    54 S   CA   _C9_    60     1.39179   119.07267    -5.49644
   59    55 S   CO4  _C23    47     1.48312   120.16502    -9.86203
   60    59 S   O    _O36    48     1.22726   121.21858   165.61712
   61    58 S   CA   _C4_    61     1.40427   120.08279   179.37662
   62    61 S   HA   _H3_    62     1.08710   120.58848  -179.96044
   63    58 S   CO4  _C10    71     1.47547   121.24329    -1.04399
   64    63 S   O    _O33    72     1.23070   118.21384  -172.12760
   65    61 S   CA   _C5_    63     1.39257   119.88420     0.06256
   66    46 S   CMA  _C11    73     1.35604   118.73748    81.19834
   67    66 S   OM   _O40    74     1.26665   129.86545    -0.38866
   68    65 S   CA   _C6_    64     1.38844   120.63543     0.10468
   69    68 S   HA   _H4_    65     1.08647   120.31365   179.73681
   70    65 S   OH   _O42    69     1.36620   121.04509   179.97202
   71    70 S   HO   _H11    70     0.97237   108.57443     1.88575
   72    54 S   CA   _C7_    66     1.40570   121.69574   174.11410
   73    72 S   OH   _O41    67     1.36979   123.37405     0.35277
   74    73 S   HO   _H10    68     0.97402   108.69940     3.50733
  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   7   4   3  12  15  10  12   8   4
   2   1  10   4   5  12   4   2   1  11   1   1  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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    59    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    55    59    60    40    41    42  
   38    39    43    59    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    53    55    59    40    41    42    46  
   43    44    55    40  
   41    42    43    53    55    59    60  
   42    55    59    60  
   55    59    60  
   44    45    47    53    55    59    60    56    49    46    51    66  
   45    47    48    53    55    59    49    50    46    51    52    54    63    66    67  
   47    48    53    55    56    49    50    46    51    66  
   51    52    54    58    72    63    64    66    67    47    49    55  
   48    53    55    59    56    57    49    50  
   53    55    56    49  
   50    53  
    0  
   52    54    58    61    68    72    73    63    66    67  
   54    58    72    66  
   55    59    60    56    57  
   58    61    62    65    68    69    72    73    74    63    64    66  
   59    60    56    57  
   57    59  
    0  
   61    62    65    68    72    73    70    63    64    66    67  
   60  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   310.000  1.470
   43    44   469.000  1.400
   43    55   469.000  1.400
   44    45   469.000  1.400
   44    46   320.000  1.460
   45    47   469.000  1.400
   45    49   450.000  1.364
   47    48   367.000  1.080
   47    53   469.000  1.400
   53    55   469.000  1.400
   53    56   450.000  1.364
   55    59   310.000  1.470
   59    60   570.000  1.229
   59    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   56    57   553.000  0.945
   49    50   553.000  0.945
   46    51   320.000  1.462
   46    66   465.000  1.376
   51    52   570.000  1.229
   51    54   310.000  1.470
   54    58   469.000  1.400
   54    72   469.000  1.400
   58    61   469.000  1.400
   58    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
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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  115.47100
   33    40    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    90.00000  108.74100
   38    43    44    60.00000  119.52600
   38    43    55    60.00000  119.52600
   43    38    39    75.00000  123.78400
   43    44    45    63.00000  120.00000
   43    44    46    60.00000  118.70000
   43    55    53    63.00000  120.00000
   43    55    59    60.00000  119.52600
   44    45    47    63.00000  120.00000
   44    45    49    70.00000  120.00000
   44    46    51    60.00000  124.00000
   44    46    66    60.00000  123.66000
   45    47    48    35.00000  120.00000
   45    47    53    63.00000  120.00000
   45    49    50    35.00000  113.00000
   47    53    55    63.00000  120.00000
   47    53    56    70.00000  120.00000
   53    47    48    35.00000  120.00000
   53    55    59    60.00000  119.52600
   53    56    57    35.00000  113.00000
   55    43    44    63.00000  120.00000
   55    59    60    75.00000  123.78400
   55    59    40    65.00000  115.47100
   59    40    41    35.00000  109.50000
   59    40    42    35.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    59    60    80.00000  120.40000
   42    40    41    33.00000  107.80000
   56    53    55    70.00000  120.00000
   49    45    47    70.00000  120.00000
   46    44    45    60.00000  118.70000
   46    51    52    80.00000  123.72100
   46    51    54    65.00000  117.02400
   46    66    63    65.00000  114.61000
   46    66    67    65.00000  137.10300
   51    54    58    60.00000  119.52600
   51    54    72    60.00000  119.52600
   54    51    52    75.00000  123.78400
   54    58    61    63.00000  120.00000
   54    58    63    60.00000  119.52600
   54    72    68    63.00000  120.00000
   54    72    73    70.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    65    63.00000  120.00000
   58    63    64    75.00000  123.78400
   58    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    54    58    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    58    61    60.00000  119.52600
   63    66    67    85.00000  116.28000
   66    46    51    60.00000  125.92000
   66    63    64    80.00000  120.81000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    59   0.56750  1.0 1.0
   29    33    40    59  -0.07550 -1.0 2.0
   29    33    40    59   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   2.26350  1.0 1.0
   33    38    43    44   0.76750 -1.0 2.0
   33    38    43    44   0.22500  1.0 3.0
   33    38    43    55   2.26350  1.0 1.0
   33    38    43    55   0.76750 -1.0 2.0
   33    38    43    55   0.22500  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    43   0.65300  1.0 1.0
   34    33    38    43  -0.03850 -1.0 2.0
   34    33    38    43   0.33900  1.0 3.0
   34    33    40    59  -0.09450  1.0 1.0
   34    33    40    59  -1.12950 -1.0 2.0
   34    33    40    59   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   38    33    40    59   0.11950  1.0 1.0
   38    33    40    59   0.20300 -1.0 2.0
   38    33    40    59  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45   3.62500 -1.0 2.0
   38    43    44    46   3.62500 -1.0 2.0
   38    43    55    53   3.62500 -1.0 2.0
   38    43   -55    59   3.62500 -1.0 2.0
   39    38    43    44   1.05000 -1.0 2.0
   39    38    43    55   1.05000 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    45    49   3.62500 -1.0 2.0
   43    44    46    51  -0.01750  1.0 1.0
   43    44    46    51  -0.32000 -1.0 2.0
   43    44    46    51   0.00600  1.0 3.0
   43    44    46    66   0.15800  1.0 1.0
   43    44    46    66   1.85350 -1.0 2.0
   43    44    46    66  -0.48700  1.0 3.0
   43    55    59    60   1.05000 -1.0 2.0
   43    55    59    40   2.26350  1.0 1.0
   43    55    59    40   0.76750 -1.0 2.0
   43    55    59    40   0.22500  1.0 3.0
   44    43    55    53   3.62500 -1.0 2.0
   44    43    55    59   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45   -47    53   3.62500 -1.0 2.0
   44    45    49    50   0.84100 -1.0 2.0
   44    46    51    52  -0.52200  1.0 1.0
   44    46    51    52   0.82950 -1.0 2.0
   44    46    51    54   1.50000 -1.0 2.0
   44    46    66    63   7.00000 -1.0 2.0
   44    46    66    67   7.00000 -1.0 2.0
   45    44    46    51  -0.01750  1.0 1.0
   45    44    46    51  -0.32000 -1.0 2.0
   45    44    46    51   0.00600  1.0 3.0
   45    44    46    66   0.15800  1.0 1.0
   45    44    46    66   1.85350 -1.0 2.0
   45    44    46    66  -0.48700  1.0 3.0
   45    47    53    55   3.62500 -1.0 2.0
   45    47    53    56   3.62500 -1.0 2.0
   47    45    49    50   0.84100 -1.0 2.0
   47    53   -55    43   3.62500 -1.0 2.0
   47    53    55    59   3.62500 -1.0 2.0
   47    53    56    57   0.84100 -1.0 2.0
   48    47    53    55   3.62500 -1.0 2.0
   48    47    53    56   3.62500 -1.0 2.0
   53    55    59    60   1.05000 -1.0 2.0
   53    55    59    40   2.26350  1.0 1.0
   53    55    59    40   0.76750 -1.0 2.0
   53    55    59    40   0.22500  1.0 3.0
   55    43   -44    45   3.62500 -1.0 2.0
   55    43    44    46   3.62500 -1.0 2.0
   55    53    56    57   0.84100 -1.0 2.0
   55    59   -40    33   0.05850 -1.0 2.0
   55    59   -40    33   0.17250  1.0 3.0
   55    59    40    41   0.00000  1.0 1.0
   55    59    40    42   0.00000  1.0 1.0
   60    59    40    33   0.30150 -1.0 2.0
   60    59    40    41   0.00000  1.0 1.0
   60    59    40    42   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.05850 -1.0 2.0
   40    33   -38    43   0.17250  1.0 3.0
   56    53    55    43   3.62500 -1.0 2.0
   56    53    55    59   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    53   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44    45    49   3.62500 -1.0 2.0
   46    51    54    58  -0.11500  1.0 1.0
   46    51    54    58   1.10450 -1.0 2.0
   46    51    54    58  -0.48050  1.0 3.0
   46    51    54    72  -0.11500  1.0 1.0
   46    51    54    72   1.10450 -1.0 2.0
   46    51    54    72  -0.48050  1.0 3.0
   51    46    66    63   7.00000 -1.0 2.0
   51    46    66    67   7.00000 -1.0 2.0
   51    54    58    61   3.62500 -1.0 2.0
   51    54   -58    63   3.62500 -1.0 2.0
   51    54    72    68   3.62500 -1.0 2.0
   51    54    72    73   3.62500 -1.0 2.0
   52    51    54    58   1.05000 -1.0 2.0
   52    51    54    72   1.05000 -1.0 2.0
   54    58    61    62   3.62500 -1.0 2.0
   54    58    61    65   3.62500 -1.0 2.0
   54    58    63    64   1.05000 -1.0 2.0
   54    58    63    66  -0.11500  1.0 1.0
   54    58    63    66   1.10450 -1.0 2.0
   54    58    63    66  -0.48050  1.0 3.0
   54    72    73    74   0.84100 -1.0 2.0
   58    54    72    68   3.62500 -1.0 2.0
   58    54    72    73   3.62500 -1.0 2.0
   58    61   -65    68   3.62500 -1.0 2.0
   58    61    65    70   3.62500 -1.0 2.0
   58    63   -66    46  -1.65800  1.0 1.0
   58    63   -66    46   0.77650 -1.0 2.0
   58    63    66    67   1.50000 -1.0 2.0
   61    58    63    64   1.05000 -1.0 2.0
   61    58    63    66  -0.11500  1.0 1.0
   61    58    63    66   1.10450 -1.0 2.0
   61    58    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    54   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    54   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   72    54   -58    61   3.62500 -1.0 2.0
   72    54    58    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    58    61    62   3.62500 -1.0 2.0
   63    58    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    51    52   1.00000 -1.0 2.0
   66    46   -51    54  -1.65800  1.0 1.0
   66    46   -51    54   0.77650 -1.0 2.0
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    43    38    39  10.50000 -1.0 2.0
   44    55    43    38   4.00000 -1.0 2.0
   45    46    44    43   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   53    48    47    45   1.10000 -1.0 2.0
   55    56    53    47   4.00000 -1.0 2.0
   53    59    55    43   4.00000 -1.0 2.0
   55    40    59    60  10.50000 -1.0 2.0
   44    51    46    66   1.10000 -1.0 2.0
   46    54    51    52  10.50000 -1.0 2.0
   58    72    54    51   4.00000 -1.0 2.0
   61    63    58    54   4.00000 -1.0 2.0
   65    62    61    58   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    54   4.00000 -1.0 2.0
   58    66    63    64  10.50000 -1.0 2.0
   63    67    66    46   1.10000 -1.0 2.0
END
