* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    222     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069   104.33541     6.41937
    3     1 S   H    _H1_     3     1.02077    44.16274   108.63067
    4     1 S   H    _H2_     4     1.02161    68.87498   -98.41817
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.80758    98.57457   -78.12847
   34    33 S   HC   _H18    37     1.09385   109.22585   -59.25106
   35    33 S   HC   _H19    38     1.09272   109.42089    58.90167
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C16    39     1.48660   110.07167   180.00000
   40    39 S   CM   _C15    40     1.33405   128.64884   -89.67560
   41    40 S   OS   _O33    41     1.39136   115.30570   179.56299
   42    40 S   OH   _O34    72     1.36863   124.32901    -1.61398
   43    42 S   HO   _H20    73     0.96618   110.53156   180.00000
   44    41 S   CT   _C13    42     1.44298   102.94055   -14.04184
   45    44 S   HC   _H5_    43     1.09949   106.06741   -95.09484
   46    44 S   CT   _C14    44     1.52671   111.36194   147.40119
   47    46 S   HC   _H16    45     1.09741   109.44123    51.09128
   48    46 S   HC   _H17    46     1.09813   107.09960   166.23362
   49    46 S   CT   _C9_    47     1.56012   114.72019   -72.47069
   50    49 S   CM   _C10    48     1.52945   110.52303   -46.35775
   51    49 S   CT   _C18    68     1.54465   109.28381    75.02183
   52    51 S   HC   _H21    69     1.08222   108.93955    58.40095
   53    51 S   HC   _H22    70     1.08367   108.87252   -61.60371
   54    51 S   HC   _H23    71     1.08268   108.93245   178.48690
   55    50 S   CM   _C11    49     1.34770   121.71367    20.96888
   56    55 S   HC   _H15    50     1.08921   118.84963  -178.89784
   57    50 S   CT   _C5_    53     1.52313   119.05731  -158.00219
   58    57 S   HC   _H3_    54     1.09965   108.40144   158.15353
   59    39 S   CT   _C12    51     1.49344   122.70511    90.37489
   60    59 S   HC   _H4_    52     1.09703   111.57094   -50.93246
   61    57 S   CT   _C6_    55     1.53407   112.23134    41.57952
   62    61 S   HC   _H9_    56     1.09705   110.23723  -171.79034
   63    61 S   HC   _H10    57     1.09730   108.88982    71.93712
   64    57 S   CT   _C4_    64     1.53185   112.22899   -85.49881
   65    64 S   HC   _H6_    65     1.08707   109.61428    62.01778
   66    64 S   HC   _H7_    66     1.08721   109.61380   -58.01134
   67    64 S   HC   _H8_    67     1.08754   109.55217  -178.06832
   68    61 S   CT   _C7_    58     1.52459   112.97913   -48.81231
   69    68 S   HC   _H11    59     1.09603   109.18656   176.87137
   70    68 S   HC   _H12    60     1.09532   110.58395   -66.41521
   71    49 S   CT   _C8_    61     1.55385   106.59593  -167.01891
   72    71 S   HC   _H13    62     1.09957   109.73930    46.43469
   73    71 S   HC   _H14    63     1.09703   110.02151   -69.91504
  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   6   5   4   3
  10   4   3   2   1   1  12   9  11   3   1  12   7  16   6   5
  18  21   9   3   2   1   8   3  13   8   1   1  12   6   5   4
   2   1   1   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    59  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    55    59    60    42  
   35    39    40    59  
   39    40    59  
   37    38  
   38  
    0  
   40    41    44    45    46    50    55    56    59    60    42    43  
   41    44    45    46    55    59    60    42    43  
   44    45    46    47    48    49    55    59    60    42    43  
   43    44    59  
    0  
   45    46    47    48    49    50    55    56    59    60    71    51  
   46    47    48    49    55    59    60  
   47    48    49    50    55    59    60    57    68    71    72    73    51    52    53    54  
   48    49    50    59    71    51  
   49    50    59    71    51  
   50    55    56    59    57    58    61    68    69    70    71    72    73    64    51    52    53    54  
   55    56    59    60    57    58    61    62    63    68    71    72    73    64    65    66    67    51    52    53    54  
   52    53    54    55    57    68    71    72    73  
   53    54    71  
   54    71  
   71  
   56    59    60    57    58    61    71    64  
   59    60    57  
   58    61    62    63    68    69    70    71    64    65    66    67    59  
   61    62    63    68    64    65    66    67  
   60  
    0  
   62    63    68    69    70    71    72    73    64    65    66    67  
   63    68    69    70    71    64  
   68    69    70    71    64  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    59   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    59   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   317.000  1.510
   49    71   268.000  1.529
   49    51   268.000  1.529
   50    55   549.000  1.340
   50    57   317.000  1.510
   55    56   340.000  1.080
   55    59   317.000  1.510
   59    60   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   42    43   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    59    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    59    44    70.00000  112.02700
   39    59    55    70.00000  110.12100
   39    59    60    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    59    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    59    55    70.00000  112.02700
   44    59    60    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    49    50    70.00000  112.02700
   46    49    71    58.35000  112.70000
   46    49    51    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    55    70.00000  124.00000
   49    50    57    65.00000  117.92700
   49    71    68    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    73    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    37.50000  110.70000
   50    55    56    35.00000  120.00000
   50    55    59    70.00000  124.00000
   50    57    58    35.00000  109.50000
   50    57    61    70.00000  112.02700
   50    57    64    70.00000  112.02700
   55    59    60    35.00000  109.50000
   59    39    40    70.00000  124.00000
   59    44    45    37.50000  110.70000
   59    44    46    58.35000  112.70000
   59    55    56    35.00000  117.00000
   57    50    55    70.00000  124.00000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    68    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   61    57    58    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    49    50    70.00000  112.02700
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   73    71    72    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    61    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   51    49    50    70.00000  112.02700
   51    49    71    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    59   0.30250  1.0 1.0
   29    33    39    59  -0.14950 -1.0 2.0
   29    33    39    59   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    59    44   0.46850  1.0 1.0
   33    39    59    44   0.08550 -1.0 2.0
   33    39    59    44   0.09800  1.0 3.0
   33    39    59    55   0.09700  1.0 1.0
   33    39    59    55   0.15600 -1.0 2.0
   33    39    59    55  -0.50800  1.0 3.0
   33    39    59    60   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    59   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    59   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -59    44   0.09850  1.0 1.0
   40    39   -59    44   0.15250 -1.0 2.0
   40    39   -59    44  -0.50650  1.0 3.0
   40    39    59    55  -0.28300  1.0 1.0
   40    39    59    55   0.26700 -1.0 2.0
   40    39    59    55  -0.63300  1.0 3.0
   40    39    59    60   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    59  -0.46850  1.0 1.0
   40    41   -44    59   0.09300 -1.0 2.0
   40    41   -44    59  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    49   0.62750  1.0 1.0
   41    44    46    49  -0.30950 -1.0 2.0
   41    44    46    49   0.27300  1.0 3.0
   41    44   -59    39   0.61850  1.0 1.0
   41    44   -59    39  -0.22750 -1.0 2.0
   41    44   -59    39   0.15300  1.0 3.0
   41    44    59    55   0.61850  1.0 1.0
   41    44    59    55  -0.22750 -1.0 2.0
   41    44    59    55   0.15300  1.0 3.0
   41    44    59    60   0.23400  1.0 3.0
   44    46    49    50   0.34400  1.0 1.0
   44    46    49    50   0.09450 -1.0 2.0
   44    46    49    50   0.11100  1.0 3.0
   44    46    49    71   0.56750  1.0 1.0
   44    46    49    71  -0.07550 -1.0 2.0
   44    46    49    71   0.20000  1.0 3.0
   44    46    49    51   0.56750  1.0 1.0
   44    46    49    51  -0.07550 -1.0 2.0
   44    46    49    51   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    59    39   0.15000  1.0 3.0
   45    44    59    55   0.15000  1.0 3.0
   45    44    59    60   0.15000  1.0 3.0
   46    44    59    39   0.34400  1.0 1.0
   46    44    59    39   0.09450 -1.0 2.0
   46    44    59    39   0.11100  1.0 3.0
   46    44    59    55   0.34400  1.0 1.0
   46    44    59    55   0.09450 -1.0 2.0
   46    44    59    55   0.11100  1.0 3.0
   46    44    59    60   0.15000  1.0 3.0
   46    49   -50    55   0.09850  1.0 1.0
   46    49   -50    55   0.15250 -1.0 2.0
   46    49   -50    55  -0.50650  1.0 3.0
   46    49    50    57   0.46850  1.0 1.0
   46    49    50    57   0.08550 -1.0 2.0
   46    49    50    57   0.09800  1.0 3.0
   46    49    71    68   0.56750  1.0 1.0
   46    49    71    68  -0.07550 -1.0 2.0
   46    49    71    68   0.20000  1.0 3.0
   46    49    71    72   0.15000  1.0 3.0
   46    49    71    73   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   0.15000  1.0 3.0
   46    49    51    54   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    71   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    71   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   49    50    55    56   7.00000 -1.0 2.0
   49    50    55    59   7.00000 -1.0 2.0
   49    50    57    58   0.34800  1.0 3.0
   49    50    57    61   0.46850  1.0 1.0
   49    50    57    61   0.08550 -1.0 2.0
   49    50    57    61   0.09800  1.0 3.0
   49    50    57    64   0.46850  1.0 1.0
   49    50    57    64   0.08550 -1.0 2.0
   49    50    57    64   0.09800  1.0 3.0
   50    49    71    68   0.34400  1.0 1.0
   50    49    71    68   0.09450 -1.0 2.0
   50    49    71    68   0.11100  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   50    49    71    73   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    55    59    39  -0.28300  1.0 1.0
   50    55    59    39   0.26700 -1.0 2.0
   50    55    59    39  -0.63300  1.0 3.0
   50    55   -59    44   0.09850  1.0 1.0
   50    55   -59    44   0.15250 -1.0 2.0
   50    55   -59    44  -0.50650  1.0 3.0
   50    55    59    60   0.00000  1.0 1.0
   50    57    61    62   0.15000  1.0 3.0
   50    57    61    63   0.15000  1.0 3.0
   50    57   -61    68   0.34400  1.0 1.0
   50    57   -61    68   0.09450 -1.0 2.0
   50    57   -61    68   0.11100  1.0 3.0
   50    57    64    65   0.15000  1.0 3.0
   50    57    64    66   0.15000  1.0 3.0
   50    57    64    67   0.15000  1.0 3.0
   55    50    57    58   0.00000  1.0 1.0
   55    50    57    61   0.09850  1.0 1.0
   55    50    57    61   0.15250 -1.0 2.0
   55    50    57    61  -0.50650  1.0 3.0
   55    50    57    64   0.09850  1.0 1.0
   55    50    57    64   0.15250 -1.0 2.0
   55    50    57    64  -0.50650  1.0 3.0
   56    55    59    39   0.00000  1.0 1.0
   56    55    59    44   0.00000  1.0 1.0
   56    55    59    60   0.33100  1.0 3.0
   59    39   -40    41   7.00000 -1.0 2.0
   59    39    40    42   7.00000 -1.0 2.0
   59    44    46    47   0.15000  1.0 3.0
   59    44    46    48   0.15000  1.0 3.0
   59    44   -46    49   0.56750  1.0 1.0
   59    44   -46    49  -0.07550 -1.0 2.0
   59    44   -46    49   0.20000  1.0 3.0
   57    50    55    56   7.00000 -1.0 2.0
   57    50    55    59   7.00000 -1.0 2.0
   57    61    68    69   0.15000  1.0 3.0
   57    61    68    70   0.15000  1.0 3.0
   57    61    68    71   0.56750  1.0 1.0
   57    61    68    71  -0.07550 -1.0 2.0
   57    61    68    71   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    68   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   61    57    64    65   0.15000  1.0 3.0
   61    57    64    66   0.15000  1.0 3.0
   61    57    64    67   0.15000  1.0 3.0
   61    68   -71    49   0.56750  1.0 1.0
   61    68   -71    49  -0.07550 -1.0 2.0
   61    68   -71    49   0.20000  1.0 3.0
   61    68    71    72   0.15000  1.0 3.0
   61    68    71    73   0.15000  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   63    61    68    71   0.15000  1.0 3.0
   69    68    71    49   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   70    68    71    49   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   71    49    50    55   0.09850  1.0 1.0
   71    49    50    55   0.15250 -1.0 2.0
   71    49    50    55  -0.50650  1.0 3.0
   71    49   -50    57   0.46850  1.0 1.0
   71    49   -50    57   0.08550 -1.0 2.0
   71    49   -50    57   0.09800  1.0 3.0
   71    49    51    52   0.15000  1.0 3.0
   71    49    51    53   0.15000  1.0 3.0
   71    49    51    54   0.15000  1.0 3.0
   64    57    61    62   0.15000  1.0 3.0
   64    57    61    63   0.15000  1.0 3.0
   64    57    61    68   0.56750  1.0 1.0
   64    57    61    68  -0.07550 -1.0 2.0
   64    57    61    68   0.20000  1.0 3.0
   51    49    50    55   0.09850  1.0 1.0
   51    49    50    55   0.15250 -1.0 2.0
   51    49    50    55  -0.50650  1.0 3.0
   51    49    50    57   0.46850  1.0 1.0
   51    49    50    57   0.08550 -1.0 2.0
   51    49    50    57   0.09800  1.0 3.0
   51    49    71    68   0.56750  1.0 1.0
   51    49    71    68  -0.07550 -1.0 2.0
   51    49    71    68   0.20000  1.0 3.0
   51    49    71    72   0.15000  1.0 3.0
   51    49    71    73   0.15000  1.0 3.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    59    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   49    57    50    55   1.10000 -1.0 2.0
   59    56    55    50   1.10000 -1.0 2.0
END
