* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    224     405
    1     0 S   NP   _N1_     1    27.98633    94.41064   -22.36916
    2     1 S   H    _HN1     2     1.02835    27.34444   147.79932
    3     1 S   H    _H1_     3     1.02776    99.25258  -100.93003
    4     1 S   H    _H2_     4     1.02957    86.00809     7.02376
    5     1 S   CT   _CA1     5     1.50140   136.23906   122.61807
    6     5 S   HC   _HA1     6     1.09574   105.20310    71.25578
    7     5 S   CO3  _C1_     7     1.53759   112.35512   -48.94209
    8     7 S   O2Z  _O11     8     1.26368   114.98377   -43.54539
    9     7 S   O2Z  _O12     9     1.26225   114.93244   135.49462
   10     5 S   CT   _CB1    10     1.53083   107.42082  -170.81340
   11    10 S   HC   HB11    11     1.09831   109.30315   -50.14693
   12    10 S   HC   HB12    12     1.09817   110.43551    66.39164
   13    10 S   CT   _CG1    13     1.53048   112.71928  -171.18824
   14    13 S   HC   HG11    14     1.09587   110.57320   -65.45547
   15    13 S   HC   HG12    15     1.09660   109.86180    53.78484
   16    13 S   C    _CD1    16     1.51847   112.18964   174.16205
   17    16 S   O    _OE1    17     1.22765   123.24055     4.10880
   18    16 S   N    _N2_    18     1.38568   111.83271  -175.99762
   19    18 S   H    _HN2    19     1.01565   119.08286     4.03415
   20    18 S   CT1  _CA2    20     1.45859   122.72274   177.17125
   21    20 S   HC   _HA2    21     1.09722   108.92543    25.46042
   22    20 S   C    _C2_    22     1.52922   106.74340   -91.68417
   23    22 S   O    _O2_    23     1.22998   122.94770   -29.63124
   24    20 S   CT   _CB2    32     1.53245   112.34006   148.77153
   25    24 S   HC   HB21    33     1.09406   109.82460    55.13227
   26    24 S   HC   HB22    34     1.09477   109.66692   173.67963
   27    22 S   N    _N3_    24     1.38474   112.67801   153.08676
   28    27 S   H    _HN3    25     1.01662   120.41352    -1.73799
   29    24 S   S    _SG2    35     1.82861   110.84017   -66.51204
   30    27 S   CT   _CA3    26     1.45365   122.39056   178.71656
   31    30 S   HC   HA31    27     1.09570   107.61253   -59.86717
   32    30 S   HC   HA32    28     1.09570   107.77760    56.43193
   33    29 S   CT   _C13    36     1.86480   101.53682   170.46026
   34    30 S   CO3  _C3_    29     1.52879   114.41055   178.30811
   35    34 S   O2Z  _O31    30     1.26321   116.08321    -1.58930
   36    34 S   O2Z  _O32    31     1.26448   114.39605   178.45440
   37    33 S   CM   _C18    37     1.49858   109.25477    57.92269
   38    37 S   HC   _H14    38     1.09012   115.97462   -79.47153
   39    33 S   CT   _C12    49     1.53518   112.17117   -70.83461
   40    39 S   HC   _H11    50     1.09919   110.10924   161.32919
   41    39 S   HC   _H12    51     1.09473   114.11446    42.58753
   42    37 S   CMA  _C17    39     1.34919   126.14673    99.21398
   43    42 S   OM   _O34    40     1.26193   129.37048  -177.98579
   44    42 S   CO4  _C16    41     1.52041   115.00901     1.72533
   45    44 S   O    _O33    42     1.23072   122.83127  -165.54121
   46    44 S   CM   _C15    43     1.48589   118.63603    17.76880
   47    46 S   HC   _H13    44     1.08230   116.08227   157.91606
   48    33 S   CM   _C14    45     1.51750   107.26675  -179.49063
   49    48 S   NE   _N5_    46     1.39930   109.08656    85.68196
   50    49 S   CT1  _C11    47     1.47861   110.22318    15.80746
   51    50 S   HC   _H4_    48     1.09766   109.44242  -110.57710
   52    49 S   CM   _C10    55     1.38988   128.10261  -157.84793
   53    52 S   HC   _H10    56     1.08789   110.57366  -171.90895
   54    50 S   CO3  _C19    52     1.53062   112.84600   125.19732
   55    54 S   O2Z  _O36    53     1.26344   116.66048   -51.06910
   56    54 S   O2Z  _O35    54     1.26576   114.33117   129.40340
   57    52 S   CM   _C9_    57     1.34225   131.16594    11.26033
   58    57 S   HC   _H9_    58     1.08534   120.29209     1.65540
   59    57 S   CM   _C8_    59     1.45327   125.07407   177.96279
   60    59 S   CM   _C7_    60     1.34752   123.58332    46.30384
   61    60 S   HC   _H8_    61     1.08547   121.12020    -1.33823
   62    60 S   CM   _C6_    62     1.44819   120.94939   177.12070
   63    62 S   NE   _N4_    63     1.37842   118.35718     8.96850
   64    63 S   H    _H7_    64     1.01656   115.74978   175.13067
   65    62 S   CMA  _C20    73     1.52653   120.39298  -171.14767
   66    65 S   OM   _O38    74     1.26502   121.87627    32.41135
   67    65 S   OM   _O37    75     1.26535   120.39714  -148.53269
   68    63 S   CT1  _C5_    65     1.45408   123.31427    10.94003
   69    68 S   HC   _H3_    66     1.09854   108.12604    82.02429
   70    59 S   CT   _C4_    67     1.51768   115.80387  -137.19464
   71    70 S   HC   _H5_    68     1.09844   107.88027   -81.05327
   72    70 S   HC   _H6_    69     1.09810   110.26192    35.08411
   73    68 S   CO3  _C21    70     1.53877   108.55596  -162.46193
   74    73 S   O2Z  _O40    71     1.26418   116.34395   130.08834
   75    73 S   O2Z  _O39    72     1.26680   115.13476   -51.64667
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  16   2   1   1  12   5  12   6   5   6   3   5   3   5   2   7
  10   7   4   7   3   2   1   1   9   3  11  11   4   9  12   5
   3   1   1   7   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    50    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    51    39    40    41    54    52  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    50    39    40    41  
   42    43    44    48    39  
   40    41    54    55    56    52    42    46    48    49    50    51  
   41    54    48    49    50    51  
   54    48    49    50    51  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50    52  
   48    49  
   49    50    51    54    52    53    57  
   50    51    54    55    56    52    53    57    58    59  
   51    54    55    56    52    53    57  
   54    55    56    52  
   53    57    58    59    60    70    54  
   57    58    59  
   55    56  
   56  
    0  
   58    59    60    61    62    68    70    71    72  
   59    60    70  
   60    61    62    63    68    69    70    71    72    73    65  
   61    62    63    64    68    70    71    72    65    66    67  
   62    63    70    65  
   63    64    68    69    70    73    65    66    67  
   64    68    69    70    71    72    73    74    75    65    66    67  
   68    69    70    73    65  
   66    67    68  
   67  
    0  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73  
   73  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.2500   0.1700  -0.158500   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   63   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   67   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    48   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.476
   44    45   570.000  1.229
   44    46   320.000  1.462
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   425.000  1.378
   49    50   382.000  1.448
   49    52   425.000  1.378
   50    51   340.000  1.090
   50    39   268.000  1.529
   50    54   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   54    55   656.000  1.250
   54    56   656.000  1.250
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    59   380.000  1.444
   59    60   549.000  1.340
   59    70   317.000  1.510
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   425.000  1.378
   62    65   465.000  1.376
   63    64   434.000  1.010
   63    68   382.000  1.448
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    73   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   73    74   656.000  1.250
   73    75   656.000  1.250
   65    66   745.000  1.250
   65    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    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    48    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  124.00000
   33    48    49    75.00000  116.24600
   33    39    50    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  114.61000
   42    37    38    40.00000  120.50800
   42    44    45    80.00000  120.81000
   42    44    46    65.00000  118.65900
   44    42    43    85.00000  116.28000
   44    46    47    40.00000  117.72500
   44    46    48    65.00000  118.96000
   46    44    45    80.00000  123.72100
   46    48    49    70.00000  124.03900
   48    33    37    70.00000  110.12100
   48    46    47    35.00000  120.00000
   48    49    50    50.00000  121.00000
   48    49    52    75.00000  118.45600
   49    50    51    35.00000  109.50000
   49    50    39    80.00000  111.61500
   49    50    54    63.00000  110.10000
   49    52    53    50.00000  112.30800
   49    52    57    70.00000  124.03900
   50    39    40    37.50000  110.70000
   50    39    41    37.50000  110.70000
   50    54    55    70.00000  117.00000
   50    54    56    70.00000  117.00000
   39    33    37    70.00000  112.02700
   39    33    48    70.00000  112.02700
   39    50    51    37.50000  110.70000
   41    39    40    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    39    63.00000  111.10000
   56    54    55    80.00000  126.00000
   52    49    50    50.00000  121.00000
   52    57    58    35.00000  120.00000
   52    57    59    70.00000  123.01800
   57    52    53    35.00000  120.00000
   57    59    60    70.00000  123.01800
   57    59    70    70.00000  124.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    62    70.00000  123.01800
   59    70    68    70.00000  112.02700
   59    70    71    35.00000  109.50000
   59    70    72    35.00000  109.50000
   60    62    63    70.00000  124.03900
   60    62    65    70.00000  117.34000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  114.50000
   62    63    68    50.00000  121.00000
   62    65    66    65.00000  137.10300
   62    65    67    65.00000  137.10300
   63    68    69    35.00000  109.50000
   63    68    70    80.00000  111.61500
   63    68    73    63.00000  110.10000
   68    63    64    35.00000  112.50000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    73    74    70.00000  117.00000
   68    73    75    70.00000  117.00000
   70    59    60    70.00000  124.00000
   70    68    69    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    63.00000  111.10000
   75    73    74    80.00000  126.00000
   65    62    63    70.00000  124.03900
   67    65    66    65.00000  121.00000
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    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.42700  1.0 1.0
   29    33    48    46  -0.70350 -1.0 2.0
   29    33    48    46  -0.43150  1.0 3.0
   29    33    48    49   0.09700  1.0 1.0
   29    33    48    49   0.15600 -1.0 2.0
   29    33    48    49  -0.50800  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    48   -49    50   1.00000 -1.0 2.0
   33    48    49    52   1.00000 -1.0 2.0
   37    33    48    46  -0.28300  1.0 1.0
   37    33    48    46   0.26700 -1.0 2.0
   37    33    48    46  -0.63300  1.0 3.0
   37    33    48    49  -1.35150  1.0 1.0
   37    33    48    49   0.13900 -1.0 2.0
   37    33    48    49   0.25250  1.0 3.0
   37    33    39    50   0.34400  1.0 1.0
   37    33    39    50   0.09450 -1.0 2.0
   37    33    39    50   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   1.00000 -1.0 2.0
   37    42   -44    46  -1.18350  1.0 1.0
   37    42   -44    46   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.93700 -1.0 2.0
   42    44    46    48  -1.18350  1.0 1.0
   42    44    46    48   1.45950 -1.0 2.0
   43    42    44    45  -0.11900  1.0 1.0
   43    42    44    45   0.76850 -1.0 2.0
   43    42    44    45   0.14100  1.0 3.0
   43    42    44    46   1.50000 -1.0 2.0
   44    46   -48    33   7.00000 -1.0 2.0
   44    46    48    49   7.00000 -1.0 2.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   1.00000 -1.0 2.0
   46    48    49    50  -0.54700  1.0 1.0
   46    48    49    50   1.23000 -1.0 2.0
   46    48    49    52  -0.54500  1.0 1.0
   46    48    49    52   1.14150 -1.0 2.0
   47    46    48    33   7.00000 -1.0 2.0
   47    46    48    49   7.00000 -1.0 2.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42  -0.28300  1.0 1.0
   48    33   -37    42   0.26700 -1.0 2.0
   48    33   -37    42  -0.63300  1.0 3.0
   48    33   -39    50   0.34400  1.0 1.0
   48    33   -39    50   0.09450 -1.0 2.0
   48    33   -39    50   0.11100  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    49    50    51   0.00000  1.0 1.0
   48    49   -50    39   0.25450  1.0 1.0
   48    49   -50    39  -0.61700 -1.0 2.0
   48    49   -50    39  -0.23550  1.0 3.0
   48    49    50    54  -0.12500  1.0 1.0
   48    49    50    54  -0.12500 -1.0 2.0
   48    49    50    54   0.25000  1.0 3.0
   48    49    52    53   0.00000  1.0 1.0
   48    49    52    57  -0.54500  1.0 1.0
   48    49    52    57   1.14150 -1.0 2.0
   49    50   -39    33   1.26750  1.0 1.0
   49    50   -39    33  -0.00950 -1.0 2.0
   49    50   -39    33   0.30600  1.0 3.0
   49    50    39    40   0.22950  1.0 3.0
   49    50    39    41   0.22950  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    57  -0.54700  1.0 1.0
   50    49    52    57   1.23000 -1.0 2.0
   51    50    39    33   0.15000  1.0 3.0
   51    50    39    40   0.15000  1.0 3.0
   51    50    39    41   0.15000  1.0 3.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.09850  1.0 1.0
   39    33    48    46   0.15250 -1.0 2.0
   39    33    48    46  -0.50650  1.0 3.0
   39    33   -48    49  -0.93550  1.0 1.0
   39    33   -48    49   0.38900 -1.0 2.0
   39    33   -48    49   0.16950  1.0 3.0
   39    50    54    55   0.00000  1.0 1.0
   39    50    54    56   0.00000  1.0 1.0
   54    50    39    33  -0.84850  1.0 1.0
   54    50    39    33  -0.22800 -1.0 2.0
   54    50    39    33   0.29250  1.0 3.0
   54    50    39    40  -0.03800  1.0 3.0
   54    50    39    41  -0.03800  1.0 3.0
   52    49    50    51   0.00000  1.0 1.0
   52    49    50    39   0.25450  1.0 1.0
   52    49    50    39  -0.61700 -1.0 2.0
   52    49    50    39  -0.23550  1.0 3.0
   52    49    50    54  -0.12500  1.0 1.0
   52    49    50    54  -0.12500 -1.0 2.0
   52    49    50    54   0.25000  1.0 3.0
   52    57    59    60   0.28850  1.0 1.0
   52    57    59    60   2.61350 -1.0 2.0
   52    57    59    60   0.78400  1.0 3.0
   52    57    59    70  -0.18600  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    59   7.00000 -1.0 2.0
   57    59    60    61   7.00000 -1.0 2.0
   57    59    60    62   7.00000 -1.0 2.0
   57    59    70    68   0.98200  1.0 1.0
   57    59    70    68  -0.11900 -1.0 2.0
   57    59    70    68   0.24250  1.0 3.0
   57    59    70    71   0.00000  1.0 1.0
   57    59    70    72   0.00000  1.0 1.0
   58    57    59    60  -0.18600  1.0 3.0
   58    57    59    70   0.00000  1.0 1.0
   59    60    62    63  -0.18600  1.0 3.0
   59    60    62    65   0.28850  1.0 1.0
   59    60    62    65   2.61350 -1.0 2.0
   59    60    62    65   0.78400  1.0 3.0
   60    59    70    68   0.09850  1.0 1.0
   60    59    70    68   0.15250 -1.0 2.0
   60    59    70    68  -0.50650  1.0 3.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    72   0.00000  1.0 1.0
   60    62    63    64   1.00000 -1.0 2.0
   60    62   -63    68  -0.54700  1.0 1.0
   60    62   -63    68   1.23000 -1.0 2.0
   60    62    65    66   7.00000 -1.0 2.0
   60    62    65    67   7.00000 -1.0 2.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    65  -0.18600  1.0 3.0
   62    63    68    69   0.00000  1.0 1.0
   62    63    68    70   0.25450  1.0 1.0
   62    63    68    70  -0.61700 -1.0 2.0
   62    63    68    70  -0.23550  1.0 3.0
   62    63    68    73  -0.12500  1.0 1.0
   62    63    68    73  -0.12500 -1.0 2.0
   62    63    68    73   0.25000  1.0 3.0
   63    62    65    66   7.00000 -1.0 2.0
   63    62    65    67   7.00000 -1.0 2.0
   63    68   -70    59   0.21700  1.0 1.0
   63    68   -70    59   0.68550 -1.0 2.0
   63    68   -70    59  -0.27950  1.0 3.0
   63    68    70    71   0.22950  1.0 3.0
   63    68    70    72   0.22950  1.0 3.0
   63    68    73    74   0.00000  1.0 1.0
   63    68    73    75   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    73   0.00000  1.0 1.0
   69    68    70    59   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    75   0.00000  1.0 1.0
   70    59    60    61   7.00000 -1.0 2.0
   70    59   -60    62   7.00000 -1.0 2.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    75   0.00000  1.0 1.0
   73    68    70    59  -0.98800  1.0 1.0
   73    68    70    59   0.48800 -1.0 2.0
   73    68    70    59   0.76800  1.0 3.0
   73    68    70    71  -0.03800  1.0 3.0
   73    68    70    72  -0.03800  1.0 3.0
   65    62    63    64   1.00000 -1.0 2.0
   65    62    63    68  -0.54700  1.0 1.0
   65    62    63    68   1.23000 -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    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   44    47    46    48   1.10000 -1.0 2.0
   33    49    48    46   1.10000 -1.0 2.0
   50    48    49    52   1.00000 -1.0 2.0
   55    50    54    56  10.50000 -1.0 2.0
   49    53    52    57  15.00000 -1.0 2.0
   59    58    57    52  15.00000 -1.0 2.0
   57    70    59    60   1.10000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   60    63    62    65   1.10000 -1.0 2.0
   64    62    63    68   1.00000 -1.0 2.0
   74    68    73    75  10.50000 -1.0 2.0
   66    67    65    62   1.10000 -1.0 2.0
END
