* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    28.57902    95.62405   -22.09164
    2     1 S   H    _HN1     2     1.02959    80.41507    30.01352
    3     1 S   H    _H1_     3     1.02836    35.18647   169.06078
    4     1 S   H    _H2_     4     1.02778    95.67506   -77.66816
    5     1 S   CT   _CA1     5     1.50117   143.56996   141.48905
    6     5 S   HC   _HA1     6     1.09575   105.22830    75.69903
    7     5 S   CO3  _C1_     7     1.53776   112.40342   -44.50841
    8     7 S   O2Z  _O11     8     1.26357   114.99806   -43.66786
    9     7 S   O2Z  _O12     9     1.26239   114.91667   135.51446
   10     5 S   CT   _CB1    10     1.53094   107.43055  -166.39526
   11    10 S   HC   HB11    11     1.09826   109.30601   -50.89586
   12    10 S   HC   HB12    12     1.09818   110.42495    65.64489
   13    10 S   CT   _CG1    13     1.53015   112.68859  -172.00056
   14    13 S   HC   HG11    14     1.09595   110.46140   -64.35884
   15    13 S   HC   HG12    15     1.09656   109.95876    54.86673
   16    13 S   C    _CD1    16     1.51822   112.32021   175.20596
   17    16 S   O    _OE1    17     1.22720   123.25187    -1.01933
   18    16 S   N    _N2_    18     1.38640   111.64415   179.23128
   19    18 S   H    _HN2    19     1.01576   119.01238     1.37174
   20    18 S   CT1  _CA2    20     1.46210   123.40767   179.43872
   21    20 S   HC   _HA2    21     1.09735   109.41215    -3.56985
   22    20 S   C    _C2_    22     1.53503   108.36355  -119.14499
   23    22 S   O    _O2_    23     1.23025   122.20849  -144.93842
   24    20 S   CT   _CB2    32     1.53397   111.60402   118.43135
   25    24 S   HC   HB21    33     1.09594   110.04383    56.37334
   26    24 S   HC   HB22    34     1.09468   109.95087   175.36891
   27    22 S   N    _N3_    24     1.38498   113.48301    42.32316
   28    27 S   H    _HN3    25     1.01502   118.96542    -0.61038
   29    24 S   S    _SG2    35     1.82768   111.70132   -64.52892
   30    27 S   CT   _CA3    26     1.45466   123.56376   175.26554
   31    30 S   HC   HA31    27     1.09513   109.41402    21.13268
   32    30 S   HC   HA32    28     1.09502   107.08242   138.15767
   33    29 S   CT   _C23    36     1.82356    99.64931   173.96220
   34    33 S   HC   _H3_    37     1.09644   110.06122   -45.71829
   35    30 S   CO3  _C3_    29     1.52911   112.96886  -102.46762
   36    35 S   O2Z  _O31    30     1.26413   115.33945   -46.01958
   37    35 S   O2Z  _O32    31     1.26345   115.02330   134.87134
   38    33 S   CM   _C24    38     1.48898   111.15007    74.89961
   39    38 S   HC   _H16    39     1.09189   114.21490   -77.53537
   40    33 S   CO4  _C22    70     1.50928   107.77200  -161.55982
   41    40 S   O    _O37    71     1.22975   121.26477    79.83606
   42    38 S   CMA  _C25    40     1.35175   128.46358   104.82370
   43    42 S   OM   _O38    41     1.26680   124.85859   178.03547
   44    42 S   CA   _C7_    42     1.51381   113.94119    -2.42640
   45    44 S   CA   _C6_    43     1.41308   119.81339  -168.62946
   46    45 S   HA   _H7_    44     1.08978   119.55036     1.32692
   47    45 S   CA   _C5_    45     1.40701   122.85311  -178.67751
   48    47 S   CA   _C10    46     1.40905   119.45874     0.18452
   49    47 S   CT   _C4_    74     1.50648   118.75683   179.51463
   50    49 S   HC   _H4_    75     1.09426   110.65116   121.09445
   51    49 S   HC   _H5_    76     1.09452   110.39137  -117.43151
   52    49 S   HC   _H6_    77     1.09528   111.60135     1.84759
   53    48 S   CA   _C11    47     1.48402   121.33699  -179.27774
   54    48 S   CA   _C9_    68     1.41058   118.27505    -0.12354
   55    53 S   CA   _C16    48     1.42701   122.53255   -89.87444
   56    44 S   CA   _C8_    69     1.40455   123.05431    12.67909
   57    54 S   OH   _O36    72     1.37626   116.46107  -179.58883
   58    57 S   HO   _H15    73     0.97320   109.18819  -176.65772
   59    55 S   CA   _C15    49     1.40988   120.09110  -179.95154
   60    59 S   CA   _C14    50     1.40190   119.60156     0.20936
   61    59 S   CO4  _C20    60     1.48341   120.68756  -179.84934
   62    61 S   O    _O34    61     1.22586   121.98718   179.72589
   63    60 S   CA   _C13    51     1.39044   120.77560     0.14265
   64    63 S   HA   _H8_    52     1.08824   119.19009   179.65622
   65    60 S   OH   _O35    58     1.36995   123.87212   180.00000
   66    65 S   HO   _H11    59     0.97355   109.18486     0.00000
   67    61 S   CM   _C19    62     1.46906   118.51730    -0.26907
   68    67 S   HC   _H10    63     1.08433   117.57775  -179.87180
   69    53 S   CA   _C12    53     1.42175   118.54463    90.65744
   70    67 S   CM   _C18    64     1.32947   121.39559     0.12033
   71    70 S   HC   _H9_    65     1.08494   120.60687  -180.00000
   72    69 S   CT   _C21    54     1.50911   121.99849     0.51700
   73    72 S   HC   _H12    55     1.09416   110.74926   -58.98025
   74    72 S   HC   _H13    56     1.09443   110.45775    62.80706
   75    72 S   HC   _H14    57     1.09553   111.51241  -178.04025
   76    55 S   CO4  _C17    66     1.49649   121.30712    -0.06256
   77    76 S   O    _O33    67     1.22462   123.68294     0.07402
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  10   6   2   1   1   8   4   8   3   7   3   8  10   4  11  15
   5   2   1   1  17   5  13   2   1   1  13  10   8   3   8   3
   2   1   5   3   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    56    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    54    56    40    41  
   38    39    42    56    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    56    40    41  
   42    43    44    40  
   41    57    42    44    45    48    54    56  
   44    54    56  
   43    44    45    46    47    54    56  
   44    45    56  
   45    46    47    48    54    56    57    49  
   46    47    48    53    54    56    49    50    51    52  
   47    48    56    49  
   48    53    55    69    54    56    57    49    50    51    52  
   53    55    59    63    69    72    76    54    56    57    58    49    50    51    52  
   50    51    52    53    54  
   51    52  
   52  
    0  
   55    59    60    63    64    69    72    73    74    75    61    70    76    77    54    56    57  
   56    57    58    55    69  
   59    60    63    69    72    65    61    62    67    70    71    76    77  
   57    58  
   58  
    0  
   60    63    64    69    65    66    61    62    67    68    70    76    77  
   63    64    69    72    65    66    61    62    67    76  
   62    67    68    70    71    76    63    65  
   67    68    70  
   64    69    72    73    74    75    65    66  
   69    72    65  
   66    69  
    0  
   68    70    71    76    77  
   70    71    76  
   72    73    74    75    76  
   71    76    77  
   76    77  
   73    74    75  
   74    75  
   75  
    0  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   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    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    44   320.000  1.460
   44    45   469.000  1.400
   44    56   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    53   375.000  1.464
   48    54   469.000  1.400
   53    55   469.000  1.400
   53    69   469.000  1.400
   55    59   469.000  1.400
   55    76   310.000  1.470
   59    60   469.000  1.400
   59    61   310.000  1.470
   60    63   469.000  1.400
   60    65   450.000  1.364
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
   61    62   570.000  1.229
   61    67   320.000  1.462
   67    68   340.000  1.080
   67    70   549.000  1.340
   70    71   340.000  1.080
   70    76   320.000  1.462
   76    77   570.000  1.229
   54    56   469.000  1.400
   54    57   450.000  1.364
   56    40   310.000  1.470
   40    41   570.000  1.229
   57    58   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    56    65.00000  115.47100
   33    40    41    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    60.00000  123.20500
   42    38    39    40.00000  120.50800
   42    44    45    60.00000  120.93500
   42    44    56    60.00000  120.93500
   44    42    43    85.00000  114.86500
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    56    54    63.00000  120.00000
   44    56    40    60.00000  119.52600
   45    47    48    63.00000  120.00000
   45    47    49    70.00000  120.00000
   47    45    46    35.00000  120.00000
   47    48    53    60.00000  122.76000
   47    48    54    63.00000  120.00000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    52    35.00000  109.50000
   48    53    55    60.00000  122.76000
   48    53    69    60.00000  122.76000
   48    54    56    63.00000  120.00000
   48    54    57    70.00000  120.00000
   53    55    59    63.00000  120.00000
   53    55    76    60.00000  119.52600
   53    69    63    63.00000  120.00000
   53    69    72    70.00000  120.00000
   55    59    60    63.00000  120.00000
   55    59    61    60.00000  119.52600
   55    76    70    65.00000  117.02400
   55    76    77    75.00000  123.78400
   59    60    63    63.00000  120.00000
   59    60    65    70.00000  120.00000
   59    61    62    75.00000  123.78400
   59    61    67    65.00000  117.02400
   60    63    64    35.00000  120.00000
   60    63    69    63.00000  120.00000
   60    65    66    35.00000  113.00000
   63    69    72    70.00000  120.00000
   69    53    55    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    60    63    70.00000  120.00000
   61    59    60    60.00000  119.52600
   61    67    68    40.00000  117.72500
   61    67    70    65.00000  118.96000
   67    61    62    80.00000  123.72100
   67    70    71    35.00000  120.00000
   67    70    76    65.00000  118.96000
   70    67    68    35.00000  120.00000
   70    76    77    80.00000  123.72100
   76    55    59    60.00000  119.52600
   76    70    71    40.00000  117.72500
   54    48    53    60.00000  122.76000
   54    56    40    60.00000  119.52600
   54    57    58    35.00000  113.00000
   56    44    45    63.00000  120.00000
   56    40    41    75.00000  123.78400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   57    54    56    70.00000  120.00000
   49    47    48    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    56   0.65300  1.0 1.0
   29    33    40    56  -0.03850 -1.0 2.0
   29    33    40    56   0.33900  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    56   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   38    33    40    56   0.65300  1.0 1.0
   38    33    40    56  -0.03850 -1.0 2.0
   38    33    40    56   0.33900  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    42    44    45   0.15800  1.0 1.0
   38    42    44    45   1.85350 -1.0 2.0
   38    42    44    45  -0.48700  1.0 3.0
   38    42   -44    56   0.15800  1.0 1.0
   38    42   -44    56   1.85350 -1.0 2.0
   38    42   -44    56  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    56    54   3.62500 -1.0 2.0
   42    44    56    40   3.62500 -1.0 2.0
   43    42    44    45  -0.01750  1.0 1.0
   43    42    44    45  -0.32000 -1.0 2.0
   43    42    44    45   0.00600  1.0 3.0
   43    42    44    56  -0.01750  1.0 1.0
   43    42    44    56  -0.32000 -1.0 2.0
   43    42    44    56   0.00600  1.0 3.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   44    56   -40    33   2.26350  1.0 1.0
   44    56   -40    33   0.76750 -1.0 2.0
   44    56   -40    33   0.22500  1.0 3.0
   44    56    40    41   1.05000 -1.0 2.0
   45    44    56    54   3.62500 -1.0 2.0
   45    44    56    40   3.62500 -1.0 2.0
   45    47    48    53   3.62500 -1.0 2.0
   45    47   -48    54   3.62500 -1.0 2.0
   45    47    49    50   0.00000  1.0 1.0
   45    47    49    51   0.00000  1.0 1.0
   45    47    49    52   0.00000  1.0 1.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    48    53    55  -0.19450  1.0 1.0
   47    48    53    55   0.63300 -1.0 2.0
   47    48    53    55   0.07450  1.0 3.0
   47    48    53    69  -0.19450  1.0 1.0
   47    48    53    69   0.63300 -1.0 2.0
   47    48    53    69   0.07450  1.0 3.0
   47    48    54    56   3.62500 -1.0 2.0
   47    48    54    57   3.62500 -1.0 2.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    52   0.00000  1.0 1.0
   48    53    55    59   3.62500 -1.0 2.0
   48    53    55    76   3.62500 -1.0 2.0
   48    53    69    63   3.62500 -1.0 2.0
   48    53    69    72   3.62500 -1.0 2.0
   48    54   -56    44   3.62500 -1.0 2.0
   48    54    56    40   3.62500 -1.0 2.0
   48    54    57    58   0.84100 -1.0 2.0
   53    48    54    56   3.62500 -1.0 2.0
   53    48    54    57   3.62500 -1.0 2.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55    59    61   3.62500 -1.0 2.0
   53    55    76    70  -0.11500  1.0 1.0
   53    55    76    70   1.10450 -1.0 2.0
   53    55    76    70  -0.48050  1.0 3.0
   53    55    76    77   1.05000 -1.0 2.0
   53    69    72    73   0.00000  1.0 1.0
   53    69    72    74   0.00000  1.0 1.0
   53    69    72    75   0.00000  1.0 1.0
   55    53    69    63   3.62500 -1.0 2.0
   55    53    69    72   3.62500 -1.0 2.0
   55    59   -60    63   3.62500 -1.0 2.0
   55    59    60    65   3.62500 -1.0 2.0
   55    59    61    62   1.05000 -1.0 2.0
   55    59    61    67  -0.11500  1.0 1.0
   55    59    61    67   1.10450 -1.0 2.0
   55    59    61    67  -0.48050  1.0 3.0
   59    55    76    70  -0.11500  1.0 1.0
   59    55    76    70   1.10450 -1.0 2.0
   59    55    76    70  -0.48050  1.0 3.0
   59    55    76    77   1.05000 -1.0 2.0
   59    60    63    64   3.62500 -1.0 2.0
   59    60    63    69   3.62500 -1.0 2.0
   59    60    65    66   0.84100 -1.0 2.0
   59    61    67    68   1.64500 -1.0 2.0
   59    61   -67    70  -1.65800  1.0 1.0
   59    61   -67    70   0.77650 -1.0 2.0
   60    59    61    62   1.05000 -1.0 2.0
   60    59    61    67  -0.11500  1.0 1.0
   60    59    61    67   1.10450 -1.0 2.0
   60    59    61    67  -0.48050  1.0 3.0
   60    63   -69    53   3.62500 -1.0 2.0
   60    63    69    72   3.62500 -1.0 2.0
   63    60    65    66   0.84100 -1.0 2.0
   63    69    72    73   0.00000  1.0 1.0
   63    69    72    74   0.00000  1.0 1.0
   63    69    72    75   0.00000  1.0 1.0
   64    63    69    53   3.62500 -1.0 2.0
   64    63    69    72   3.62500 -1.0 2.0
   69    53   -55    59   3.62500 -1.0 2.0
   69    53    55    76   3.62500 -1.0 2.0
   65    60    63    64   3.62500 -1.0 2.0
   65    60    63    69   3.62500 -1.0 2.0
   61    59    60    63   3.62500 -1.0 2.0
   61    59    60    65   3.62500 -1.0 2.0
   61    67    70    71   7.00000 -1.0 2.0
   61    67    70    76   7.00000 -1.0 2.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    70   1.00000 -1.0 2.0
   67    70   -76    55  -1.65800  1.0 1.0
   67    70   -76    55   0.77650 -1.0 2.0
   67    70    76    77   1.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    76   7.00000 -1.0 2.0
   71    70    76    55   1.64500 -1.0 2.0
   71    70    76    77   0.00000  1.0 1.0
   76    55    59    60   3.62500 -1.0 2.0
   76    55   -59    61   3.62500 -1.0 2.0
   54    48    53    55  -0.19450  1.0 1.0
   54    48    53    55   0.63300 -1.0 2.0
   54    48    53    55   0.07450  1.0 3.0
   54    48    53    69  -0.19450  1.0 1.0
   54    48    53    69   0.63300 -1.0 2.0
   54    48    53    69   0.07450  1.0 3.0
   54    56    40    33   2.26350  1.0 1.0
   54    56    40    33   0.76750 -1.0 2.0
   54    56    40    33   0.22500  1.0 3.0
   54    56    40    41   1.05000 -1.0 2.0
   56    44    45    46   3.62500 -1.0 2.0
   56    44   -45    47   3.62500 -1.0 2.0
   56    54    57    58   0.84100 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    42  -0.51250  1.0 1.0
   40    33   -38    42  -0.88800 -1.0 2.0
   40    33   -38    42   0.08850  1.0 3.0
   57    54    56    44   3.62500 -1.0 2.0
   57    54    56    40   3.62500 -1.0 2.0
   49    47    48    53   3.62500 -1.0 2.0
   49    47    48    54   3.62500 -1.0 2.0
IPHI
    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    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   45    56    44    42   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   48    49    47    45   4.00000 -1.0 2.0
   53    54    48    47   4.00000 -1.0 2.0
   55    69    53    48   4.00000 -1.0 2.0
   59    76    55    53   4.00000 -1.0 2.0
   60    61    59    55   4.00000 -1.0 2.0
   63    65    60    59   4.00000 -1.0 2.0
   69    64    63    60   1.10000 -1.0 2.0
   63    72    69    53   4.00000 -1.0 2.0
   59    67    61    62  10.50000 -1.0 2.0
   61    68    67    70   1.10000 -1.0 2.0
   76    71    70    67   1.10000 -1.0 2.0
   55    70    76    77  10.50000 -1.0 2.0
   56    57    54    48   4.00000 -1.0 2.0
   54    40    56    44   4.00000 -1.0 2.0
   33    56    40    41  10.50000 -1.0 2.0
END
