* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    213     397
    1     0 S   NP   _N1_     1    28.65177    95.67824   -20.38181
    2     1 S   H    _HN1     2     1.02955    82.67239    29.52291
    3     1 S   H    _H1_     3     1.02831    38.03509   159.74779
    4     1 S   H    _H2_     4     1.02781    89.12869   -79.07904
    5     1 S   CT   _CA1     5     1.50100   148.28761   146.99102
    6     5 S   HC   _HA1     6     1.09581   105.20987    67.63111
    7     5 S   CO3  _C1_     7     1.53697   112.28611   -52.50622
    8     7 S   O2Z  _O11     8     1.26351   114.97094   -47.19836
    9     7 S   O2Z  _O12     9     1.26235   114.84697   131.74823
   10     5 S   CT   _CB1    10     1.53047   107.41655  -174.58724
   11    10 S   HC   HB11    11     1.09828   109.17310   -51.62754
   12    10 S   HC   HB12    12     1.09815   110.54631    64.89547
   13    10 S   CT   _CG1    13     1.52994   112.65644  -172.72716
   14    13 S   HC   HG11    14     1.09612   110.49053   -66.48685
   15    13 S   HC   HG12    15     1.09665   109.93821    52.75224
   16    13 S   C    _CD1    16     1.51824   112.20127   172.97412
   17    16 S   O    _OE1    17     1.22733   123.28887     1.55091
   18    16 S   N    _N2_    18     1.38596   111.66263  -178.26697
   19    18 S   H    _HN2    19     1.01598   118.96861     0.86003
   20    18 S   CT1  _CA2    20     1.46303   123.41383   178.53567
   21    20 S   HC   _HA2    21     1.09734   109.41752    -6.32499
   22    20 S   C    _C2_    22     1.53425   108.43655  -121.81365
   23    22 S   O    _O2_    23     1.23033   122.38541  -148.43630
   24    20 S   CT   _CB2    32     1.53278   111.26444   115.81482
   25    24 S   HC   HB21    33     1.09397   109.40559    55.57231
   26    24 S   HC   HB22    34     1.09503   110.73773   174.10741
   27    22 S   N    _N3_    24     1.38368   113.50969    39.11540
   28    27 S   H    _HN3    25     1.01629   119.49331    -3.61628
   29    24 S   S    _SG2    35     1.82882   111.08059   -66.65165
   30    27 S   CT   _CA3    26     1.45281   123.15549   176.99346
   31    30 S   HC   HA31    27     1.09551   107.54326   -63.68509
   32    30 S   HC   HA32    28     1.09559   107.93396    52.72867
   33    29 S   CT   _C19    36     1.85848   100.50350   154.27017
   34    30 S   CO3  _C3_    29     1.52939   114.11912   174.71914
   35    34 S   O2Z  _O31    30     1.26370   116.05995    -0.05595
   36    34 S   O2Z  _O32    31     1.26429   114.41230   180.00000
   37    33 S   CM   _C20    37     1.49812   106.56316   167.60513
   38    37 S   HC   _H9_    38     1.09252   114.42300   -86.56026
   39    33 S   OS   _O38    73     1.42751   109.39191    46.90332
   40    37 S   CMA  _C21    39     1.35338   128.16791    95.64878
   41    40 S   OM   _O37    40     1.26629   124.25888   175.82111
   42    39 S   CT   _C22    74     1.42306   116.33783   176.29456
   43    42 S   HC   _H10    75     1.09374   107.81099   173.61911
   44    42 S   HC   _H11    76     1.09292   111.89827    54.87709
   45    42 S   HC   _H12    77     1.09350   111.03367   -68.53741
   46    40 S   CA   _C14    41     1.52581   114.55412    -5.40936
   47    46 S   CA   _C15    42     1.41068   120.95438    18.34399
   48    47 S   CA   _C16    43     1.40727   121.20599   177.85388
   49    33 S   CO4  _C18    71     1.52501   106.69210   -74.62631
   50    49 S   O    _O36    72     1.22920   122.74225    96.33451
   51    48 S   CA   _C17    44     1.39721   120.84392     0.75433
   52    48 S   OH   _O35    69     1.37347   122.53851   179.80021
   53    52 S   HO   _H8_    70     0.97309   109.28514     6.95158
   54    51 S   CA   _C12    45     1.38835   119.76430     0.06256
   55    51 S   OS   _O34    59     1.37073   116.35348  -179.69353
   56    46 S   CA   _C13    46     1.42557   122.56364  -162.58963
   57    54 S   CO4  _C11    49     1.48472   117.64438  -179.81762
   58    57 S   O    _O33    50     1.22230   121.26091   175.09124
   59    56 S   OH   _O39    47     1.37542   120.82152     2.96940
   60    59 S   HO   _H13    48     0.97459   108.35491    -4.59218
   61    57 S   CA   _C10    51     1.48243   117.82765    -4.12379
   62    61 S   CA   _C5_    52     1.40986   123.36202  -175.74831
   63    62 S   CA   _C6_    53     1.40758   118.65763  -179.57067
   64    63 S   HA   _H6_    54     1.08909   119.65490  -179.92598
   65    62 S   CT   _C4_    65     1.50377   123.59985     0.57505
   66    65 S   HC   _H3_    66     1.09443   110.46580   -63.56313
   67    65 S   HC   _H4_    67     1.09454   110.52076    58.70691
   68    65 S   HC   _H5_    68     1.09570   111.62897   177.45593
   69    63 S   CA   _C7_    55     1.39741   121.65609    -0.28046
   70    69 S   CA   _C8_    56     1.39121   118.97455     0.42104
   71    70 S   HA   _H7_    57     1.08626   121.52601  -179.78971
   72    69 S   OS   _O40    60     1.36908   115.08304  -179.60287
   73    61 S   CA   _C9_    58     1.39546   117.06350     4.45725
   74    72 S   CT   _C23    61     1.42299   116.69630   176.27390
   75    74 S   HC   _H14    62     1.09428   107.74244  -177.95388
   76    74 S   HC   _H15    63     1.09496   111.06854    64.34452
   77    74 S   HC   _H16    64     1.09518   111.20826   -60.16415
  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
  14   2   1   1  10   5   8   8   3   4   2   1   1  11  10  10
   4   1  11   3   1   9   8   5   8   3   1   1  11  10  11   4
   5   2   1   1   8   4   2   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    49    50    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    49    50    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    56    49    50    39    42  
   40    41    46    49    39  
   42    43    44    45    40    47    49    50  
   41    46    47    48    54    56    59    49  
   46    47    56  
   43    44    45    49  
   44    45  
   45  
    0  
   47    48    51    54    56    59    60    57    52    49    50  
   48    51    54    56    59    55    52    53    49    50  
   51    54    56    57    73    55    52    53    49    50  
   50    51    52    56  
    0  
   54    56    59    57    58    61    70    73    55    52    53  
   53    54    55  
    0  
   56    59    60    57    58    61    62    73    55  
   56    57    61    62    69    70    71    73  
   59    60    57    58    61  
   58    61    62    63    70    73    65    59  
   61    62    73  
   60  
    0  
   62    63    64    69    70    71    73    65    66    67    68  
   63    64    69    70    73    72    65    66    67    68  
   64    69    70    71    73    72    74    65    66    67    68  
   69    70    72    65  
   66    67    68    69    73  
   67    68  
   68  
    0  
   70    71    73    72    74    75    76    77  
   71    73    72    74  
   73    72  
   74    75    76    77    73  
    0  
   75    76    77  
   76    77  
   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  -0.316400   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   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    49   317.000  1.522
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   320.000  1.460
   46    47   469.000  1.400
   46    56   469.000  1.400
   47    48   469.000  1.400
   47    49   310.000  1.470
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    54   469.000  1.400
   51    55   450.000  1.364
   54    56   469.000  1.400
   54    57   310.000  1.470
   56    59   450.000  1.364
   59    60   553.000  0.945
   57    58   570.000  1.229
   57    61   310.000  1.470
   61    62   469.000  1.400
   61    73   469.000  1.400
   62    63   469.000  1.400
   62    65   317.000  1.510
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    55   450.000  1.364
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   553.000  0.945
   49    50   570.000  1.229
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    47    65.00000  115.47100
   33    49    50    80.00000  120.40000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    60.00000  123.20500
   40    37    38    40.00000  120.50800
   40    46    47    60.00000  120.93500
   40    46    56    60.00000  120.93500
   46    40    41    85.00000  114.86500
   46    47    48    63.00000  120.00000
   46    47    49    60.00000  119.52600
   46    56    54    63.00000  120.00000
   46    56    59    70.00000  120.00000
   47    48    51    63.00000  120.00000
   47    48    52    70.00000  120.00000
   47    49    50    75.00000  123.78400
   48    51    54    63.00000  120.00000
   48    51    55    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    54    56    63.00000  120.00000
   51    54    57    60.00000  119.52600
   51    55    73    85.00000  114.70000
   54    56    59    70.00000  120.00000
   54    57    58    75.00000  123.78400
   54    57    61    65.00000  116.00000
   56    46    47    63.00000  120.00000
   56    59    60    35.00000  113.00000
   57    54    56    60.00000  119.52600
   57    61    62    60.00000  119.52600
   57    61    73    60.00000  119.52600
   61    57    58    75.00000  123.78400
   61    62    63    63.00000  120.00000
   61    62    65    70.00000  120.00000
   61    73    70    63.00000  120.00000
   61    73    55    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    69    63.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    63.00000  120.00000
   63    69    72    70.00000  120.00000
   69    63    64    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    72    74    75.00000  111.00000
   70    73    55    70.00000  120.00000
   73    61    62    63.00000  120.00000
   73    70    71    35.00000  120.00000
   55    51    54    70.00000  120.00000
   72    69    70    70.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    62    63    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    48    51    70.00000  120.00000
   49    33    37    70.00000  109.06800
   49    47    48    60.00000  119.52600
   39    33    37    85.00000  110.90400
   39    33    49    90.00000  108.74100
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    49    47   0.65300  1.0 1.0
   29    33    49    47  -0.03850 -1.0 2.0
   29    33    49    47   0.33900  1.0 3.0
   29    33    49    50   0.30150 -1.0 2.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    49    47   0.65300  1.0 1.0
   37    33    49    47  -0.03850 -1.0 2.0
   37    33    49    47   0.33900  1.0 3.0
   37    33    49    50   0.30150 -1.0 2.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47   0.15800  1.0 1.0
   37    40   -46    47   1.85350 -1.0 2.0
   37    40   -46    47  -0.48700  1.0 3.0
   37    40    46    56   0.15800  1.0 1.0
   37    40    46    56   1.85350 -1.0 2.0
   37    40    46    56  -0.48700  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   3.62500 -1.0 2.0
   40    46    47    49   3.62500 -1.0 2.0
   40    46    56    54   3.62500 -1.0 2.0
   40    46    56    59   3.62500 -1.0 2.0
   41    40    46    47  -0.01750  1.0 1.0
   41    40    46    47  -0.32000 -1.0 2.0
   41    40    46    47   0.00600  1.0 3.0
   41    40    46    56  -0.01750  1.0 1.0
   41    40    46    56  -0.32000 -1.0 2.0
   41    40    46    56   0.00600  1.0 3.0
   46    47    48    51   3.62500 -1.0 2.0
   46    47    48    52   3.62500 -1.0 2.0
   46    47   -49    33   2.26350  1.0 1.0
   46    47   -49    33   0.76750 -1.0 2.0
   46    47   -49    33   0.22500  1.0 3.0
   46    47    49    50   1.05000 -1.0 2.0
   46    56    59    60   0.84100 -1.0 2.0
   47    46    56    54   3.62500 -1.0 2.0
   47    46    56    59   3.62500 -1.0 2.0
   47    48   -51    54   3.62500 -1.0 2.0
   47    48    51    55   3.62500 -1.0 2.0
   47    48    52    53   0.84100 -1.0 2.0
   48    47    49    33   2.26350  1.0 1.0
   48    47    49    33   0.76750 -1.0 2.0
   48    47    49    33   0.22500  1.0 3.0
   48    47    49    50   1.05000 -1.0 2.0
   48    51    54    56   3.62500 -1.0 2.0
   48    51    54    57   3.62500 -1.0 2.0
   48    51    55    73   0.47150 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    54   -56    46   3.62500 -1.0 2.0
   51    54    56    59   3.62500 -1.0 2.0
   51    54    57    58   1.05000 -1.0 2.0
   51    54    57    61   0.56600 -1.0 2.0
   54    51    55    73   0.47150 -1.0 2.0
   54    56    59    60   0.84100 -1.0 2.0
   54    57    61    62   0.56600 -1.0 2.0
   54    57   -61    73   0.56600 -1.0 2.0
   56    46   -47    48   3.62500 -1.0 2.0
   56    46    47    49   3.62500 -1.0 2.0
   56    54    57    58   1.05000 -1.0 2.0
   56    54    57    61   0.56600 -1.0 2.0
   57    54    56    46   3.62500 -1.0 2.0
   57    54    56    59   3.62500 -1.0 2.0
   57    61    62    63   3.62500 -1.0 2.0
   57    61    62    65   3.62500 -1.0 2.0
   57    61    73    70   3.62500 -1.0 2.0
   57    61    73    55   3.62500 -1.0 2.0
   58    57    61    62   1.05000 -1.0 2.0
   58    57    61    73   1.05000 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    69   3.62500 -1.0 2.0
   61    62    65    66   0.00000  1.0 1.0
   61    62    65    67   0.00000  1.0 1.0
   61    62    65    68   0.00000  1.0 1.0
   61    73   -55    51   0.47150 -1.0 2.0
   62    61    73    70   3.62500 -1.0 2.0
   62    61    73    55   3.62500 -1.0 2.0
   62    63   -69    70   3.62500 -1.0 2.0
   62    63    69    72   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    73   3.62500 -1.0 2.0
   63    69    72    74   1.63200 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    72   3.62500 -1.0 2.0
   69    70   -73    61   3.62500 -1.0 2.0
   69    70    73    55   3.62500 -1.0 2.0
   69    72    74    75   0.08050  1.0 3.0
   69    72    74    76   0.08050  1.0 3.0
   69    72    74    77   0.08050  1.0 3.0
   70    69    72    74   1.63200 -1.0 2.0
   70    73    55    51   0.47150 -1.0 2.0
   71    70    73    61   3.62500 -1.0 2.0
   71    70    73    55   3.62500 -1.0 2.0
   73    61   -62    63   3.62500 -1.0 2.0
   73    61    62    65   3.62500 -1.0 2.0
   55    51    54    56   3.62500 -1.0 2.0
   55    51   -54    57   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    73   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    69   3.62500 -1.0 2.0
   52    48    51    54   3.62500 -1.0 2.0
   52    48    51    55   3.62500 -1.0 2.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40  -0.51250  1.0 1.0
   49    33   -37    40  -0.88800 -1.0 2.0
   49    33   -37    40   0.08850  1.0 3.0
   49    33    39    42  -1.11000  1.0 1.0
   49    33    39    42   0.50250 -1.0 2.0
   49    33    39    42   0.47450  1.0 3.0
   49    47    48    51   3.62500 -1.0 2.0
   49    47    48    52   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    49    47   0.65300  1.0 1.0
   39    33    49    47  -0.03850 -1.0 2.0
   39    33    49    47   0.33900  1.0 3.0
   39    33    49    50   0.30150 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   47    56    46    40   4.00000 -1.0 2.0
   48    49    47    46   4.00000 -1.0 2.0
   51    52    48    47   4.00000 -1.0 2.0
   54    55    51    48   4.00000 -1.0 2.0
   56    57    54    51   4.00000 -1.0 2.0
   54    59    56    46   4.00000 -1.0 2.0
   54    61    57    58  10.50000 -1.0 2.0
   62    73    61    57   4.00000 -1.0 2.0
   63    65    62    61   4.00000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
   70    72    69    63   4.00000 -1.0 2.0
   73    71    70    69   1.10000 -1.0 2.0
   70    55    73    61   4.00000 -1.0 2.0
   33    47    49    50  10.50000 -1.0 2.0
END
