* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    240     432
    1     0 S   NP   _N1_     1    28.71388    95.09799   -22.94528
    2     1 S   H    _HN1     2     1.02950    81.66781    12.84948
    3     1 S   H    _H1_     3     1.02829    30.60266   159.02164
    4     1 S   H    _H2_     4     1.02783   100.99657   -94.35354
    5     1 S   CT   _CA1     5     1.50109   137.59161   124.08124
    6     5 S   HC   _HA1     6     1.09572   105.21303    77.40058
    7     5 S   CO3  _C1_     7     1.53801   112.43010   -42.85739
    8     7 S   O2Z  _O11     8     1.26371   115.00912   -43.16698
    9     7 S   O2Z  _O12     9     1.26239   114.95003   135.98908
   10     5 S   CT   _CB1    10     1.53086   107.42574  -164.61062
   11    10 S   HC   HB11    11     1.09830   109.41192   -49.77996
   12    10 S   HC   HB12    12     1.09814   110.43128    66.83778
   13    10 S   CT   _CG1    13     1.52979   112.58309  -170.76796
   14    13 S   HC   HG11    14     1.09588   110.58490   -64.57458
   15    13 S   HC   HG12    15     1.09667   109.83473    54.64702
   16    13 S   C    _CD1    16     1.51796   112.29015   175.11200
   17    16 S   O    _OE1    17     1.22726   123.31667     4.56733
   18    16 S   N    _N2_    18     1.38638   111.61073  -175.57136
   19    18 S   H    _HN2    19     1.01582   118.96961     1.85899
   20    18 S   CT1  _CA2    20     1.46230   123.44083   178.38384
   21    20 S   HC   _HA2    21     1.09744   109.35205     0.58817
   22    20 S   C    _C2_    22     1.53557   108.66937  -114.83574
   23    22 S   O    _O2_    23     1.23053   122.31130  -149.12037
   24    20 S   CT   _CB2    32     1.53593   111.54688   122.53116
   25    24 S   HC   HB21    33     1.09412   109.07425    55.28015
   26    24 S   HC   HB22    34     1.09238   109.59954   174.23462
   27    22 S   N    _N3_    24     1.38343   113.69239    38.44404
   28    27 S   H    _HN3    25     1.01593   119.56400    -3.52714
   29    24 S   S    _SG2    35     1.82930   110.83971   -64.63750
   30    27 S   CT   _CA3    26     1.45285   123.17940   177.02145
   31    30 S   HC   HA31    27     1.09551   107.52815   -64.00889
   32    30 S   HC   HA32    28     1.09558   107.95524    52.41309
   33    29 S   CT   _C14    36     1.90671   103.42005  -164.00886
   34    30 S   CO3  _C3_    29     1.52949   114.11083   174.40301
   35    34 S   O2Z  _O31    30     1.26373   116.07738    -0.47437
   36    34 S   O2Z  _O32    31     1.26432   114.41025   179.57710
   37    33 S   CT   _C10    37     1.59676   103.16014   168.21928
   38    37 S   HC   _H29    38     1.10065   109.06877   -23.50938
   39    33 S   CT   _C16    56     1.59065   110.93448   -65.52799
   40    37 S   CT   _C11    39     1.53483   119.69582    99.72051
   41    40 S   HC   _H30    40     1.09623   110.53448    82.06997
   42    39 S   CT   _C18    57     1.53927   114.77907  -177.85351
   43    42 S   HC   _H36    58     1.09428   111.61964   -62.05363
   44    42 S   HC   _H37    59     1.09763   110.47320  -178.33799
   45    42 S   HC   _H38    60     1.08920   113.63279    61.52268
   46    39 S   OH   _O20    61     1.44699   107.63388    66.79758
   47    46 S   HO   _H40    62     0.97221   108.82241   174.58673
   48    37 S   C3T  _C15    63     1.52253   105.72516  -133.97336
   49    40 S   CT   _C9_    41     1.52098   116.17436   -46.76948
   50    49 S   HC   _H28    42     1.09644   111.11039   -36.99290
   51    48 S   C3T  _C12    64     1.48183   109.25098    14.68892
   52    51 S   HC   _H31    65     1.07777   121.88517   142.26032
   53    48 S   CT   _C17    71     1.48837   121.58812   162.22329
   54    53 S   HC   _H33    72     1.09554   111.66206  -167.15858
   55    53 S   HC   _H34    73     1.09404   110.77975    73.26576
   56    53 S   HC   _H35    74     1.09447   110.72922   -47.19065
   57    49 S   CM   _C4_    43     1.49662    99.90801  -149.45361
   58    49 S   CT   _C7_    50     1.52279   112.70802    87.78150
   59    58 S   HC   _H24    51     1.09748   109.42972   166.11963
   60    58 S   HC   _H25    52     1.09723   110.62256    50.25204
   61    33 S   CT   _C13    66     1.58578   106.42942    60.98739
   62    61 S   HC   _H32    67     1.09675   111.13121    16.51252
   63    48 S   O3T  _O18    70     1.43175   116.37344   -49.19640
   64    57 S   CO4  _C5_    44     1.47552   108.31840    25.47068
   65    64 S   O    _O16    45     1.21695   127.42134   168.47983
   66    57 S   CM   _C6_    47     1.33621   130.71136  -153.48436
   67    66 S   HC   _H22    48     1.08409   121.53909    -1.12501
   68    66 S   HC   _H23    49     1.08555   121.57762   179.39510
   69    58 S   CT   _C8_    53     1.52276   114.30614   -74.53769
   70    69 S   HC   _H26    54     1.10065   106.59105  -177.11019
   71    69 S   HC   _H27    55     1.09637   109.15551   -66.71294
   72    61 S   OH   _O19    68     1.41629   114.90881  -105.49454
   73    72 S   HO   _H39    69     0.97213   107.84780  -179.95154
   74    40 S   OS   _O17    46     1.45112   107.75557  -163.34164
  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  13   5   4   3
  26   2   1   1  24  10  19  17   7  10   4   3   2   6   1  12
  14   8  10   5   5   3   2   1  10   8   4   3   5   3   1   5
   2   3   1   1   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    61    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    69    39    42    46    48    51    61    62    72  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    49    74    58    69    70    71    39    42    43    44    45    46    47    48    51    52    61    62    72    73    63    53  
   35    36  
   36  
    0  
   38    40    41    49    50    57    64    74    58    69    39    42    46    48    51    52    61    62    72    63    53    54    55    56  
   40    41    49    74    39    48    51    61    63    53  
   42    43    44    45    46    47    48    51    61    62    72    40    49    58    59    60    69    70    71  
   41    49    50    57    64    65    74    66    58    59    60    69    48    51    61    63    53  
   49    50    57    64    74    58    48  
   43    44    45    46    47    61    58    69    70    71  
   44    45    46    69  
   45    46    69  
   46    69  
   47    61    58    69    70    71  
   69  
   51    52    61    62    72    63    53    54    55    56    49    74  
   50    57    64    65    74    66    67    68    58    59    60    69    70    71  
   57    64    74    66    58    59    60    69  
   52    61    62    72    73    63    53    54    55    56  
   61    62    72    63    53  
   54    55    56    61    63  
   55    56    63  
   56    63  
   63  
   64    65    74    66    67    68    58    59    60    69  
   59    60    69    70    71    64    66    74  
   60    69    70    71  
   69    70    71  
   62    72    73    63    69  
   72    73    63  
   72  
   65    74    66    67    68  
   74    66  
   67    68    74  
   68  
    0  
   70    71  
   71  
    0  
   73  
    0  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    39   268.000  1.529
   33    61   268.000  1.529
   37    38   340.000  1.090
   37    40   268.000  1.529
   37    48   275.000  1.510
   40    41   340.000  1.090
   40    49   268.000  1.529
   40    74   320.000  1.410
   49    50   340.000  1.090
   49    57   317.000  1.510
   49    58   268.000  1.529
   57    64   320.000  1.462
   57    66   549.000  1.340
   64    65   570.000  1.229
   64    74   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    39   268.000  1.529
   39    42   268.000  1.529
   39    46   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
   48    51   260.000  1.509
   48    63   335.000  1.432
   48    53   275.000  1.510
   51    52   340.000  1.088
   51    61   275.000  1.510
   51    63   335.000  1.432
   61    62   340.000  1.090
   61    72   320.000  1.410
   72    73   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    61    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    58.35000  112.70000
   33    37    48    70.00000  112.37300
   33    39    69    58.35000  112.70000
   33    39    42    58.35000  112.70000
   33    39    46    50.00000  109.50000
   33    61    51    70.00000  112.37300
   33    61    62    37.50000  110.70000
   33    61    72    50.00000  109.50000
   37    40    41    37.50000  110.70000
   37    40    49    58.35000  112.70000
   37    40    74    50.00000  109.50000
   37    48    51    60.00000  120.94000
   37    48    63    80.00000  116.47100
   37    48    53    58.35000  112.70000
   40    37    38    37.50000  110.70000
   40    49    50    37.50000  110.70000
   40    49    57    70.00000  112.02700
   40    49    58    58.35000  112.70000
   40    74    64    83.00000  116.90000
   49    40    41    37.50000  110.70000
   49    57    64    65.00000  116.34900
   49    57    66    70.00000  124.00000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    69    58.35000  112.70000
   57    49    50    35.00000  109.50000
   57    64    65    80.00000  123.72100
   57    64    74    90.00000  111.29400
   57    66    67    35.00000  120.00000
   57    66    68    35.00000  120.00000
   74    40    41    35.00000  109.50000
   74    40    49    50.00000  109.50000
   74    64    65    83.00000  123.40000
   66    57    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   58    49    50    37.50000  110.70000
   58    49    57    70.00000  112.02700
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   58    69    39    58.35000  112.70000
   60    58    59    33.00000  107.80000
   69    58    59    37.50000  110.70000
   69    58    60    37.50000  110.70000
   69    39    42    58.35000  112.70000
   69    39    46    50.00000  109.50000
   71    69    70    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    69    70    37.50000  110.70000
   39    69    71    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    42    50.00000  109.50000
   48    37    38    45.00000  109.38400
   48    37    40    70.00000  112.37300
   48    51    52    37.50000  117.20000
   48    51    61    60.00000  120.94000
   48    51    63    15.00000   60.43100
   48    63    51    15.00000   59.14900
   48    53    54    45.00000  109.38400
   48    53    55    45.00000  109.38400
   48    53    56    45.00000  109.38400
   51    61    62    45.00000  109.38400
   51    61    72    50.00000  109.50000
   61    33    37    58.35000  112.70000
   61    33    39    58.35000  112.70000
   61    51    52    40.00000  115.04500
   61    72    73    55.00000  108.50000
   72    61    62    35.00000  109.50000
   63    48    51    15.00000   60.43100
   63    51    52    50.00000  114.27700
   63    51    61    80.00000  116.47100
   53    48    51    60.00000  120.94000
   53    48    63    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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   0.15000  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    48   0.44750  1.0 1.0
   29    33    37    48  -0.17800 -1.0 2.0
   29    33    37    48   0.20200  1.0 3.0
   29    33    39    69   0.44750  1.0 1.0
   29    33    39    69  -0.17800 -1.0 2.0
   29    33    39    69   0.20200  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   29    33    61    51   0.44750  1.0 1.0
   29    33    61    51  -0.17800 -1.0 2.0
   29    33    61    51   0.20200  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   29    33    61    72   0.56750  1.0 1.0
   29    33    61    72  -0.07550 -1.0 2.0
   29    33    61    72   0.20000  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    49   0.56750  1.0 1.0
   33    37    40    49  -0.07550 -1.0 2.0
   33    37    40    49   0.20000  1.0 3.0
   33    37    40    74   0.62750  1.0 1.0
   33    37    40    74  -0.30950 -1.0 2.0
   33    37    40    74   0.27300  1.0 3.0
   33    37   -48    51   0.07850  1.0 1.0
   33    37   -48    51  -0.03950 -1.0 2.0
   33    37   -48    51   0.67350  1.0 3.0
   33    37    48    63   0.02550  1.0 1.0
   33    37    48    63  -0.02600 -1.0 2.0
   33    37    48    63   1.20400  1.0 3.0
   33    37    48    53   0.56750  1.0 1.0
   33    37    48    53  -0.07550 -1.0 2.0
   33    37    48    53   0.20000  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   33    61    72    73  -0.11600  1.0 1.0
   33    61    72    73  -0.09450 -1.0 2.0
   33    61    72    73   0.21250  1.0 3.0
   37    33    39    69   0.56750  1.0 1.0
   37    33    39    69  -0.07550 -1.0 2.0
   37    33    39    69   0.20000  1.0 3.0
   37    33    39    42   0.56750  1.0 1.0
   37    33    39    42  -0.07550 -1.0 2.0
   37    33    39    42   0.20000  1.0 3.0
   37    33    39    46   0.86500  1.0 1.0
   37    33    39    46  -0.17500 -1.0 2.0
   37    33    39    46   0.20800  1.0 3.0
   37    33   -61    51   0.47050  1.0 1.0
   37    33   -61    51   0.03900 -1.0 2.0
   37    33   -61    51   0.20100  1.0 3.0
   37    33    61    62   0.15000  1.0 3.0
   37    33    61    72   0.86500  1.0 1.0
   37    33    61    72  -0.17500 -1.0 2.0
   37    33    61    72   0.20800  1.0 3.0
   37    40    49    50   0.15000  1.0 3.0
   37    40    49    57   0.34400  1.0 1.0
   37    40    49    57   0.09450 -1.0 2.0
   37    40    49    57   0.11100  1.0 3.0
   37    40    49    58   0.56750  1.0 1.0
   37    40    49    58  -0.07550 -1.0 2.0
   37    40    49    58   0.20000  1.0 3.0
   37    40    74    64  -0.25900  1.0 1.0
   37    40    74    64  -0.47000 -1.0 2.0
   37    40    74    64   0.11750  1.0 3.0
   37    48    51    52   0.15000  1.0 3.0
   37    48   -51    61   0.56750  1.0 1.0
   37    48   -51    61  -0.07550 -1.0 2.0
   37    48   -51    61   0.20000  1.0 3.0
   37    48   -51    63   0.02550  1.0 1.0
   37    48   -51    63  -0.02600 -1.0 2.0
   37    48   -51    63   1.20400  1.0 3.0
   37    48   -63    51   0.06250  1.0 1.0
   37    48   -63    51  -0.01100 -1.0 2.0
   37    48   -63    51   0.28050  1.0 3.0
   37    48    53    54   0.15000  1.0 3.0
   37    48    53    55   0.15000  1.0 3.0
   37    48    53    56   0.15000  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    49   0.15000  1.0 3.0
   38    37    40    74   0.23400  1.0 3.0
   38    37    48    51   0.15000  1.0 3.0
   38    37    48    63   0.23400  1.0 3.0
   38    37    48    53   0.15000  1.0 3.0
   40    37    48    51   0.07850  1.0 1.0
   40    37    48    51  -0.03950 -1.0 2.0
   40    37    48    51   0.67350  1.0 3.0
   40    37    48    63   0.02550  1.0 1.0
   40    37    48    63  -0.02600 -1.0 2.0
   40    37    48    63   1.20400  1.0 3.0
   40    37    48    53   0.56750  1.0 1.0
   40    37    48    53  -0.07550 -1.0 2.0
   40    37    48    53   0.20000  1.0 3.0
   40    49   -57    64   0.09700  1.0 1.0
   40    49   -57    64   0.15600 -1.0 2.0
   40    49   -57    64  -0.50800  1.0 3.0
   40    49    57    66   0.09850  1.0 1.0
   40    49    57    66   0.15250 -1.0 2.0
   40    49    57    66  -0.50650  1.0 3.0
   40    49    58    59   0.15000  1.0 3.0
   40    49    58    60   0.15000  1.0 3.0
   40    49    58    69   0.56750  1.0 1.0
   40    49    58    69  -0.07550 -1.0 2.0
   40    49    58    69   0.20000  1.0 3.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    57   0.15000  1.0 3.0
   41    40    49    58   0.15000  1.0 3.0
   41    40    74    64   0.08050  1.0 3.0
   49    40   -74    64  -0.25900  1.0 1.0
   49    40   -74    64  -0.47000 -1.0 2.0
   49    40   -74    64   0.11750  1.0 3.0
   49    57    64    65  -0.64400  1.0 1.0
   49    57    64    65   0.26850 -1.0 2.0
   49    57   -64    74  -0.15000  1.0 1.0
   49    57   -64    74   0.89550 -1.0 2.0
   49    57   -64    74  -0.06900  1.0 3.0
   49    57    66    67   7.00000 -1.0 2.0
   49    57    66    68   7.00000 -1.0 2.0
   49    58    69    70   0.15000  1.0 3.0
   49    58    69    71   0.15000  1.0 3.0
   49    58    69    39   0.56750  1.0 1.0
   49    58    69    39  -0.07550 -1.0 2.0
   49    58    69    39   0.20000  1.0 3.0
   50    49    57    64   0.15000  1.0 3.0
   50    49    57    66   0.00000  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    69   0.15000  1.0 3.0
   57    49    58    59   0.15000  1.0 3.0
   57    49    58    60   0.15000  1.0 3.0
   57    49    58    69   0.34400  1.0 1.0
   57    49    58    69   0.09450 -1.0 2.0
   57    49    58    69   0.11100  1.0 3.0
   57    64   -74    40   2.00000 -1.0 2.0
   64    57    66    67   7.00000 -1.0 2.0
   64    57    66    68   7.00000 -1.0 2.0
   65    64    74    40   3.00000 -1.0 2.0
   74    40    49    50   0.23400  1.0 3.0
   74    40   -49    57   0.61850  1.0 1.0
   74    40   -49    57  -0.22750 -1.0 2.0
   74    40   -49    57   0.15300  1.0 3.0
   74    40    49    58   0.62750  1.0 1.0
   74    40    49    58  -0.30950 -1.0 2.0
   74    40    49    58   0.27300  1.0 3.0
   66    57    64    65   1.00000 -1.0 2.0
   66    57    64    74  -0.56150  1.0 1.0
   66    57    64    74   2.19150 -1.0 2.0
   58    49    57    64   0.09700  1.0 1.0
   58    49    57    64   0.15600 -1.0 2.0
   58    49    57    64  -0.50800  1.0 3.0
   58    49    57    66   0.09850  1.0 1.0
   58    49    57    66   0.15250 -1.0 2.0
   58    49    57    66  -0.50650  1.0 3.0
   58    69    39    33   0.56750  1.0 1.0
   58    69    39    33  -0.07550 -1.0 2.0
   58    69    39    33   0.20000  1.0 3.0
   58    69    39    42   0.56750  1.0 1.0
   58    69    39    42  -0.07550 -1.0 2.0
   58    69    39    42   0.20000  1.0 3.0
   58    69    39    46   0.86500  1.0 1.0
   58    69    39    46  -0.17500 -1.0 2.0
   58    69    39    46   0.20800  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   59    58    69    39   0.15000  1.0 3.0
   60    58    69    70   0.15000  1.0 3.0
   60    58    69    71   0.15000  1.0 3.0
   60    58    69    39   0.15000  1.0 3.0
   69    39    42    43   0.15000  1.0 3.0
   69    39    42    44   0.15000  1.0 3.0
   69    39    42    45   0.15000  1.0 3.0
   69    39    46    47  -0.11600  1.0 1.0
   69    39    46    47  -0.09450 -1.0 2.0
   69    39    46    47   0.21250  1.0 3.0
   70    69    39    33   0.15000  1.0 3.0
   70    69    39    42   0.15000  1.0 3.0
   70    69    39    46   0.23400  1.0 3.0
   71    69    39    33   0.15000  1.0 3.0
   71    69    39    42   0.15000  1.0 3.0
   71    69    39    46   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.56750  1.0 1.0
   39    33    37    40  -0.07550 -1.0 2.0
   39    33    37    40   0.20000  1.0 3.0
   39    33    37    48   0.47050  1.0 1.0
   39    33    37    48   0.03900 -1.0 2.0
   39    33    37    48   0.20100  1.0 3.0
   39    33    61    51   0.47050  1.0 1.0
   39    33    61    51   0.03900 -1.0 2.0
   39    33    61    51   0.20100  1.0 3.0
   39    33    61    62   0.15000  1.0 3.0
   39    33    61    72   0.86500  1.0 1.0
   39    33    61    72  -0.17500 -1.0 2.0
   39    33    61    72   0.20800  1.0 3.0
   42    39    46    47  -0.11600  1.0 1.0
   42    39    46    47  -0.09450 -1.0 2.0
   42    39    46    47   0.21250  1.0 3.0
   46    39    42    43   0.23400  1.0 3.0
   46    39    42    44   0.23400  1.0 3.0
   46    39    42    45   0.23400  1.0 3.0
   48    37    40    41   0.15000  1.0 3.0
   48    37    40    49   0.47050  1.0 1.0
   48    37    40    49   0.03900 -1.0 2.0
   48    37    40    49   0.20100  1.0 3.0
   48    37    40    74  -0.26800  1.0 1.0
   48    37    40    74   0.69150 -1.0 2.0
   48    37    40    74  -0.48750  1.0 3.0
   48    51   -61    33   0.07850  1.0 1.0
   48    51   -61    33  -0.03950 -1.0 2.0
   48    51   -61    33   0.67350  1.0 3.0
   48    51    61    62   0.15000  1.0 3.0
   48    51    61    72   0.86500  1.0 1.0
   48    51    61    72  -0.17500 -1.0 2.0
   48    51    61    72   0.20800  1.0 3.0
   51    48    53    54   0.15000  1.0 3.0
   51    48    53    55   0.15000  1.0 3.0
   51    48    53    56   0.15000  1.0 3.0
   51    61    72    73  -0.11600  1.0 1.0
   51    61    72    73  -0.09450 -1.0 2.0
   51    61    72    73   0.21250  1.0 3.0
   52    51    61    33   0.15000  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    72   0.23400  1.0 3.0
   52    51   -63    48   0.36800  1.0 3.0
   61    33    37    38   0.15000  1.0 3.0
   61    33    37    40   0.56750  1.0 1.0
   61    33    37    40  -0.07550 -1.0 2.0
   61    33    37    40   0.20000  1.0 3.0
   61    33   -37    48   0.47050  1.0 1.0
   61    33   -37    48   0.03900 -1.0 2.0
   61    33   -37    48   0.20100  1.0 3.0
   61    33    39    69   0.56750  1.0 1.0
   61    33    39    69  -0.07550 -1.0 2.0
   61    33    39    69   0.20000  1.0 3.0
   61    33    39    42   0.56750  1.0 1.0
   61    33    39    42  -0.07550 -1.0 2.0
   61    33    39    42   0.20000  1.0 3.0
   61    33    39    46   0.86500  1.0 1.0
   61    33    39    46  -0.17500 -1.0 2.0
   61    33    39    46   0.20800  1.0 3.0
   61    51   -63    48   0.06250  1.0 1.0
   61    51   -63    48  -0.01100 -1.0 2.0
   61    51   -63    48   0.28050  1.0 3.0
   62    61    72    73   0.19450  1.0 3.0
   63    48   -51    52   0.23400  1.0 3.0
   63    48   -51    61   0.02550  1.0 1.0
   63    48   -51    61  -0.02600 -1.0 2.0
   63    48   -51    61   1.20400  1.0 3.0
   63    48    53    54   0.23400  1.0 3.0
   63    48    53    55   0.23400  1.0 3.0
   63    48    53    56   0.23400  1.0 3.0
   63    51   -61    33   0.02550  1.0 1.0
   63    51   -61    33  -0.02600 -1.0 2.0
   63    51   -61    33   1.20400  1.0 3.0
   63    51    61    62   0.23400  1.0 3.0
   63    51    61    72   3.69350  1.0 1.0
   63    51    61    72  -1.82950 -1.0 2.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    61   0.56750  1.0 1.0
   53    48    51    61  -0.07550 -1.0 2.0
   53    48    51    61   0.20000  1.0 3.0
   53    48   -51    63   0.02550  1.0 1.0
   53    48   -51    63  -0.02600 -1.0 2.0
   53    48   -51    63   1.20400  1.0 3.0
   53    48   -63    51   0.06250  1.0 1.0
   53    48   -63    51  -0.01100 -1.0 2.0
   53    48   -63    51   0.28050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   49    64    57    66   1.10000 -1.0 2.0
   57    74    64    65  10.50000 -1.0 2.0
   67    68    66    57   1.10000 -1.0 2.0
END
