* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    140    226     425
    1     0 S   NP   _N1_     1    28.82401    95.43443   -21.94456
    2     1 S   H    _HN1     2     1.02952    79.73252    30.16316
    3     1 S   H    _H1_     3     1.02827    35.53829   170.24555
    4     1 S   H    _H2_     4     1.02778    96.20765   -77.42941
    5     1 S   CT   _CA1     5     1.50115   143.53454   140.67542
    6     5 S   HC   _HA1     6     1.09580   105.17884    77.00810
    7     5 S   CO3  _C1_     7     1.53691   112.46170   -43.10759
    8     7 S   O2Z  _O11     8     1.26362   115.01672   -42.85152
    9     7 S   O2Z  _O12     9     1.26233   114.88712   136.22235
   10     5 S   CT   _CB1    10     1.53052   107.41608  -165.15002
   11    10 S   HC   HB11    11     1.09827   109.12174   -51.14223
   12    10 S   HC   HB12    12     1.09817   110.51985    65.37210
   13    10 S   CT   _CG1    13     1.53004   112.72821  -172.26663
   14    13 S   HC   HG11    14     1.09613   110.48950   -67.87968
   15    13 S   HC   HG12    15     1.09668   109.92901    51.38677
   16    13 S   C    _CD1    16     1.51818   112.23033   171.58791
   17    16 S   O    _OE1    17     1.22733   123.28804     2.63247
   18    16 S   N    _N2_    18     1.38612   111.66479  -177.21554
   19    18 S   H    _HN2    19     1.01597   118.95858     0.48698
   20    18 S   CT1  _CA2    20     1.46252   123.35642   178.26743
   21    20 S   HC   _HA2    21     1.09737   109.38850    -8.13653
   22    20 S   C    _C2_    22     1.53397   108.33628  -123.59106
   23    22 S   O    _O2_    23     1.23028   122.38725  -147.51913
   24    20 S   CT   _CB2    32     1.53258   111.41885   114.01181
   25    24 S   HC   HB21    33     1.09465   109.82606    56.39817
   26    24 S   HC   HB22    34     1.09518   110.69290   174.65199
   27    22 S   N    _N3_    24     1.38372   113.45838    39.97286
   28    27 S   H    _HN3    25     1.01640   119.49349    -3.64046
   29    24 S   S    _SG2    35     1.82850   111.26964   -66.42140
   30    27 S   CT   _CA3    26     1.45283   123.14067   176.96043
   31    30 S   HC   HA31    27     1.09552   107.54822   -63.34832
   32    30 S   HC   HA32    28     1.09558   107.92194    53.05618
   33    29 S   CT   _C13    36     1.84621   100.20771   146.76457
   34    33 S   HC   _H5_    37     1.09734   105.52124    40.53479
   35    30 S   CO3  _C3_    29     1.52938   114.13293   175.03288
   36    35 S   O2Z  _O31    30     1.26366   116.06204    -0.41307
   37    35 S   O2Z  _O32    31     1.26429   114.41109   179.63631
   38    33 S   CT   _C12    38     1.53696   110.64137   -76.79313
   39    38 S   HC   _H16    39     1.09763   107.76573   163.45339
   40    38 S   HC   _H17    40     1.09668   110.09737    48.92639
   41    33 S   CT   _C14    54     1.54668   113.13202   158.01293
   42    41 S   HC   _H6_    55     1.09905   106.82217  -165.93413
   43    38 S   CT   _C9_    41     1.54662   113.84985   -74.71150
   44    43 S   HC   _H4_    42     1.10008   106.15479    60.73528
   45    41 S   CO4  _C17    56     1.52661   109.80958   -54.90207
   46    45 S   O    _O35    57     1.22631   124.78031   124.29819
   47    45 S   HC   _H20    58     1.10457   115.02814   -56.62581
   48    43 S   CM   _C10    43     1.53609   115.27810   175.85546
   49    48 S   CT   _C5_    44     1.52760   112.74586  -173.07771
   50    49 S   HC   _H3_    45     1.09908   106.79549    60.35023
   51    48 S   CM   _C11    72     1.34477   123.88845     6.77575
   52    51 S   HC   _H14    73     1.08404   122.27421  -179.90935
   53    51 S   HC   _H15    74     1.08350   122.52884     0.43790
   54    49 S   CT   _C6_    46     1.53732   109.71481   -56.61204
   55    54 S   HC   _H10    47     1.09698   110.36009   -69.60320
   56    54 S   HC   _H11    48     1.09751   109.53877   173.93237
   57    49 S   CT   _C4_    68     1.53361   116.32454   179.06791
   58    57 S   HC   _H7_    69     1.09565   111.64525    63.28191
   59    57 S   HC   _H8_    70     1.09457   111.30988   -57.94945
   60    57 S   HC   _H9_    71     1.09574   110.50396  -177.01220
   61    54 S   CT   _C7_    49     1.53127   112.32281    53.41492
   62    61 S   HC   _H12    50     1.09722   107.35105    67.93928
   63    61 S   HC   _H13    51     1.09681   108.52177  -177.60061
   64    43 S   CT   _C8_    52     1.57162   111.44638   -56.30052
   65    64 S   CT   _C15    53     1.58141   109.09850    55.66466
   66    64 S   CT   _C18    64     1.55628   110.54312   -66.57261
   67    66 S   HC   _H21    65     1.09285   112.61778    68.42325
   68    66 S   HC   _H22    66     1.09417   112.44218   -51.91446
   69    66 S   HC   _H23    67     1.09547   111.22756  -171.02110
   70    65 S   CO4  _C16    59     1.53261   110.20863  -176.32443
   71    70 S   O    _O33    60     1.22763   124.39658  -106.19351
   72    70 S   HC   _H18    61     1.10380   115.67139    73.21912
   73    65 S   OH   _O34    62     1.42834   108.31204    67.41439
   74    73 S   HO   _H19    63     0.97387   108.12927   178.65914
  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  10   5   4   3
  16   8   2   1   1  14   6   5  14   7  20   7   6   2   1  16
  15   9   5   1   1  12   6   5   4   2   1   1  10   4   3  10
   9   5   2   1   1   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    65    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    64    65    41    42    45    46    47    70    73  
   38    39    40    43    65    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    61    64    65    41    42    45    66    51  
   40    43    44    48    64    41  
   43    44    48    64    41  
   42    45    46    47    70    71    72    73    74    66    43    61    64    65  
   45    46    47    70    73    64    65  
   44    48    49    50    54    61    62    63    64    65    70    73    66    67    68    69    57    51    52    53  
   48    49    61    64    65    66    51  
   46    47    70    73    64    65  
   47    65  
   65  
   49    50    54    55    56    61    64    65    66    57    58    59    60    51    52    53  
   50    54    55    56    61    62    63    64    57    58    59    60    51    52    53  
   54    55    56    61    57    58    59    60    51  
   52    53    54    57    64  
   53  
    0  
   55    56    61    62    63    64    65    66    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    70    73    66    67    68    69  
   63    64    65    66  
   64    65    66  
   65    70    71    72    73    74    66    67    68    69  
   70    71    72    73    74    66    67    68    69  
   67    68    69    70    73  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73  
   73  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   72   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    48   317.000  1.510
   43    64   268.000  1.529
   48    49   317.000  1.510
   48    51   549.000  1.340
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    66   268.000  1.529
   65    41   268.000  1.529
   65    70   317.000  1.522
   65    73   320.000  1.410
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   570.000  1.229
   45    47   340.000  1.090
   70    71   570.000  1.229
   70    72   340.000  1.090
   73    74   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   340.000  1.080
   51    53   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    65    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    48    70.00000  112.02700
   38    43    64    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    49    65.00000  117.92700
   43    48    51    70.00000  124.00000
   43    64    61    58.35000  112.70000
   43    64    65    58.35000  112.70000
   43    64    66    58.35000  112.70000
   48    43    44    35.00000  109.50000
   48    49    50    35.00000  109.50000
   48    49    54    70.00000  112.02700
   48    49    57    70.00000  112.02700
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    61    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    60    37.50000  110.70000
   54    49    50    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    66    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    43    44    37.50000  110.70000
   64    43    48    70.00000  112.02700
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    41    58.35000  112.70000
   64    65    70    63.00000  111.10000
   64    65    73    50.00000  109.50000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    37.50000  110.70000
   65    41    42    37.50000  110.70000
   65    41    45    63.00000  111.10000
   65    70    71    80.00000  120.40000
   65    70    72    35.00000  115.00000
   65    73    74    55.00000  108.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    80.00000  120.40000
   41    45    47    35.00000  115.00000
   45    41    42    35.00000  109.50000
   47    45    46    35.00000  123.00000
   70    65    41    63.00000  111.10000
   72    70    71    35.00000  123.00000
   73    65    41    50.00000  109.50000
   73    65    70    90.00000  109.61100
   66    64    65    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    48    49    70.00000  124.00000
   53    51    52    35.00000  117.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    65   0.44750  1.0 1.0
   29    33    41    65  -0.17800 -1.0 2.0
   29    33    41    65   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    48   0.34400  1.0 1.0
   33    38    43    48   0.09450 -1.0 2.0
   33    38    43    48   0.11100  1.0 3.0
   33    38    43    64   0.56750  1.0 1.0
   33    38    43    64  -0.07550 -1.0 2.0
   33    38    43    64   0.20000  1.0 3.0
   33    41    45    46   0.30150 -1.0 2.0
   33    41    45    47   0.74550  1.0 1.0
   33    41    45    47  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    65   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   38    33    41    65   0.56750  1.0 1.0
   38    33    41    65  -0.07550 -1.0 2.0
   38    33    41    65   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -0.95700  1.0 1.0
   38    33    41    45  -0.18200 -1.0 2.0
   38    33    41    45   0.29450  1.0 3.0
   38    43    48    49   0.46850  1.0 1.0
   38    43    48    49   0.08550 -1.0 2.0
   38    43    48    49   0.09800  1.0 3.0
   38    43    48    51   0.09850  1.0 1.0
   38    43    48    51   0.15250 -1.0 2.0
   38    43    48    51  -0.50650  1.0 3.0
   38    43    64    61   0.56750  1.0 1.0
   38    43    64    61  -0.07550 -1.0 2.0
   38    43    64    61   0.20000  1.0 3.0
   38    43   -64    65   0.56750  1.0 1.0
   38    43   -64    65  -0.07550 -1.0 2.0
   38    43   -64    65   0.20000  1.0 3.0
   38    43    64    66   0.56750  1.0 1.0
   38    43    64    66  -0.07550 -1.0 2.0
   38    43    64    66   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   39    38    43    64   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   40    38    43    64   0.15000  1.0 3.0
   43    48    49    50   0.34800  1.0 3.0
   43    48    49    54   0.46850  1.0 1.0
   43    48    49    54   0.08550 -1.0 2.0
   43    48    49    54   0.09800  1.0 3.0
   43    48    49    57   0.46850  1.0 1.0
   43    48    49    57   0.08550 -1.0 2.0
   43    48    49    57   0.09800  1.0 3.0
   43    48    51    52   7.00000 -1.0 2.0
   43    48    51    53   7.00000 -1.0 2.0
   43    64    65    41   0.56750  1.0 1.0
   43    64    65    41  -0.07550 -1.0 2.0
   43    64    65    41   0.20000  1.0 3.0
   43    64    65    70  -0.95700  1.0 1.0
   43    64    65    70  -0.18200 -1.0 2.0
   43    64    65    70   0.29450  1.0 3.0
   43    64    65    73   0.86500  1.0 1.0
   43    64    65    73  -0.17500 -1.0 2.0
   43    64    65    73   0.20800  1.0 3.0
   43    64    66    67   0.15000  1.0 3.0
   43    64    66    68   0.15000  1.0 3.0
   43    64    66    69   0.15000  1.0 3.0
   44    43    48    49   0.34800  1.0 3.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    64    61   0.15000  1.0 3.0
   44    43    64    65   0.15000  1.0 3.0
   44    43    64    66   0.15000  1.0 3.0
   48    43    64    61   0.34400  1.0 1.0
   48    43    64    61   0.09450 -1.0 2.0
   48    43    64    61   0.11100  1.0 3.0
   48    43    64    65   0.34400  1.0 1.0
   48    43    64    65   0.09450 -1.0 2.0
   48    43    64    65   0.11100  1.0 3.0
   48    43    64    66   0.34400  1.0 1.0
   48    43    64    66   0.09450 -1.0 2.0
   48    43    64    66   0.11100  1.0 3.0
   48    49    54    55   0.15000  1.0 3.0
   48    49    54    56   0.15000  1.0 3.0
   48    49   -54    61   0.34400  1.0 1.0
   48    49   -54    61   0.09450 -1.0 2.0
   48    49   -54    61   0.11100  1.0 3.0
   48    49    57    58   0.15000  1.0 3.0
   48    49    57    59   0.15000  1.0 3.0
   48    49    57    60   0.15000  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    53   7.00000 -1.0 2.0
   49    54    61    62   0.15000  1.0 3.0
   49    54    61    63   0.15000  1.0 3.0
   49    54    61    64   0.56750  1.0 1.0
   49    54    61    64  -0.07550 -1.0 2.0
   49    54    61    64   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    60   0.15000  1.0 3.0
   54    49    57    58   0.15000  1.0 3.0
   54    49    57    59   0.15000  1.0 3.0
   54    49    57    60   0.15000  1.0 3.0
   54    61   -64    43   0.56750  1.0 1.0
   54    61   -64    43  -0.07550 -1.0 2.0
   54    61   -64    43   0.20000  1.0 3.0
   54    61    64    65   0.56750  1.0 1.0
   54    61    64    65  -0.07550 -1.0 2.0
   54    61    64    65   0.20000  1.0 3.0
   54    61    64    66   0.56750  1.0 1.0
   54    61    64    66  -0.07550 -1.0 2.0
   54    61    64    66   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    65    41   0.56750  1.0 1.0
   61    64    65    41  -0.07550 -1.0 2.0
   61    64    65    41   0.20000  1.0 3.0
   61    64    65    70  -0.95700  1.0 1.0
   61    64    65    70  -0.18200 -1.0 2.0
   61    64    65    70   0.29450  1.0 3.0
   61    64    65    73   0.86500  1.0 1.0
   61    64    65    73  -0.17500 -1.0 2.0
   61    64    65    73   0.20800  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.15000  1.0 3.0
   61    64    66    69   0.15000  1.0 3.0
   62    61    64    43   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   63    61    64    43   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   64    43   -48    49   0.46850  1.0 1.0
   64    43   -48    49   0.08550 -1.0 2.0
   64    43   -48    49   0.09800  1.0 3.0
   64    43    48    51   0.09850  1.0 1.0
   64    43    48    51   0.15250 -1.0 2.0
   64    43    48    51  -0.50650  1.0 3.0
   64    65   -41    33   0.56750  1.0 1.0
   64    65   -41    33  -0.07550 -1.0 2.0
   64    65   -41    33   0.20000  1.0 3.0
   64    65    41    42   0.15000  1.0 3.0
   64    65    41    45  -0.95700  1.0 1.0
   64    65    41    45  -0.18200 -1.0 2.0
   64    65    41    45   0.29450  1.0 3.0
   64    65    70    71   0.30150 -1.0 2.0
   64    65    70    72   0.74550  1.0 1.0
   64    65    70    72  -0.00500 -1.0 2.0
   64    65    73    74  -0.11600  1.0 1.0
   64    65    73    74  -0.09450 -1.0 2.0
   64    65    73    74   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    41    45    46   0.30150 -1.0 2.0
   65    41    45    47   0.74550  1.0 1.0
   65    41    45    47  -0.00500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43   0.56750  1.0 1.0
   41    33   -38    43  -0.07550 -1.0 2.0
   41    33   -38    43   0.20000  1.0 3.0
   41    65    70    71   0.30150 -1.0 2.0
   41    65    70    72   0.74550  1.0 1.0
   41    65    70    72  -0.00500 -1.0 2.0
   41    65    73    74  -0.11600  1.0 1.0
   41    65    73    74  -0.09450 -1.0 2.0
   41    65    73    74   0.21250  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   70    65    41    33  -0.95700  1.0 1.0
   70    65    41    33  -0.18200 -1.0 2.0
   70    65    41    33   0.29450  1.0 3.0
   70    65    41    42  -0.11250  1.0 3.0
   70    65    41    45   0.11950  1.0 1.0
   70    65    41    45   0.20300 -1.0 2.0
   70    65    41    45  -0.70800  1.0 3.0
   70    65    73    74   0.91850  1.0 1.0
   70    65    73    74   0.57950  1.0 3.0
   73    65    41    33   0.86500  1.0 1.0
   73    65    41    33  -0.17500 -1.0 2.0
   73    65    41    33   0.20800  1.0 3.0
   73    65    41    42   0.23400  1.0 3.0
   73    65    41    45  -0.09450  1.0 1.0
   73    65    41    45  -1.12950 -1.0 2.0
   73    65    41    45   0.54000  1.0 3.0
   73    65    70    71   0.30150 -1.0 2.0
   73    65    70    72   0.00000  1.0 1.0
   66    64    65    41   0.56750  1.0 1.0
   66    64    65    41  -0.07550 -1.0 2.0
   66    64    65    41   0.20000  1.0 3.0
   66    64    65    70  -0.95700  1.0 1.0
   66    64    65    70  -0.18200 -1.0 2.0
   66    64    65    70   0.29450  1.0 3.0
   66    64    65    73   0.86500  1.0 1.0
   66    64    65    73  -0.17500 -1.0 2.0
   66    64    65    73   0.20800  1.0 3.0
   57    49    54    55   0.15000  1.0 3.0
   57    49    54    56   0.15000  1.0 3.0
   57    49    54    61   0.56750  1.0 1.0
   57    49    54    61  -0.07550 -1.0 2.0
   57    49    54    61   0.20000  1.0 3.0
   51    48    49    50   0.00000  1.0 1.0
   51    48    49    54   0.09850  1.0 1.0
   51    48    49    54   0.15250 -1.0 2.0
   51    48    49    54  -0.50650  1.0 3.0
   51    48    49    57   0.09850  1.0 1.0
   51    48    49    57   0.15250 -1.0 2.0
   51    48    49    57  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    49    48    51   1.10000 -1.0 2.0
   41    47    45    46  10.50000 -1.0 2.0
   65    72    70    71  10.50000 -1.0 2.0
   52    53    51    48   1.10000 -1.0 2.0
END
