* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    219     410
    1     0 S   NP   _N1_     1    28.82881    96.37920   -24.54471
    2     1 S   H    _HN1     2     1.02792   113.28488   -97.15302
    3     1 S   H    _H1_     3     1.02948    72.14510     5.66195
    4     1 S   H    _H2_     4     1.02828    35.58892   174.38923
    5     1 S   CT   _CA1     5     1.50118   130.53022   107.59975
    6     5 S   HC   _HA1     6     1.09574   105.17271    94.16364
    7     5 S   CO3  _C1_     7     1.53768   112.45502   -26.05264
    8     7 S   O2Z  _O11     8     1.26373   115.00884   -42.96359
    9     7 S   O2Z  _O12     9     1.26236   114.93585   136.07974
   10     5 S   CT   _CB1    10     1.53063   107.41027  -147.87686
   11    10 S   HC   HB11    11     1.09839   109.32807   -49.58323
   12    10 S   HC   HB12    12     1.09811   110.47555    67.00740
   13    10 S   CT   _CG1    13     1.53015   112.63756  -170.53232
   14    13 S   HC   HG11    14     1.09573   110.70637   -66.96836
   15    13 S   HC   HG12    15     1.09670   109.72283    52.28146
   16    13 S   C    _CD1    16     1.51810   112.04386   172.74245
   17    16 S   O    _OE1    17     1.22752   123.20459    10.88810
   18    16 S   N    _N2_    18     1.38649   111.80363  -169.14814
   19    18 S   H    _HN2    19     1.01579   118.98702     1.12431
   20    18 S   CT1  _CA2    20     1.46214   123.35687   176.67598
   21    20 S   HC   _HA2    21     1.09740   109.28579     6.18187
   22    20 S   C    _C2_    22     1.53641   108.81707  -109.29666
   23    22 S   O    _O2_    23     1.23076   122.24166  -148.85191
   24    20 S   CT   _CB2    32     1.53325   111.65508   128.15195
   25    24 S   HC   HB21    33     1.09529   110.01633    56.89398
   26    24 S   HC   HB22    34     1.09521   110.08645   175.92580
   27    22 S   N    _N3_    24     1.38314   113.83171    38.65134
   28    27 S   H    _HN3    25     1.01555   119.60618    -3.25323
   29    24 S   S    _SG2    35     1.82731   111.48467   -64.31747
   30    27 S   CT   _CA3    26     1.45287   123.28523   177.16994
   31    30 S   HC   HA31    27     1.09547   107.50811   -64.86722
   32    30 S   HC   HA32    28     1.09555   108.00207    51.59246
   33    29 S   CT   _C15    36     1.83114    99.58298  -176.09836
   34    33 S   HC   _H7_    37     1.09562   108.63659    44.37132
   35    30 S   CO3  _C3_    29     1.52977   114.03432   173.59133
   36    35 S   O2Z  _O31    30     1.26384   116.06638    -0.60166
   37    35 S   O2Z  _O32    31     1.26423   114.42179   179.46222
   38    33 S   CM   _C16    38     1.49131   109.42655   -76.41721
   39    38 S   HC   _H15    39     1.08318   122.63085    70.82797
   40    38 S   CMA  _C17    40     1.34281   114.27156  -108.06719
   41    40 S   OM   _O36    41     1.25893   132.55148   177.60126
   42    40 S   CT   _C13    42     1.55730   110.33124    -0.78084
   43    42 S   CT   _C12    43     1.57051   112.78540  -133.07972
   44    43 S   HC   _H5_    44     1.09609   108.43490   -60.79770
   45    33 S   CT   _C14    57     1.55640   117.19667   168.32011
   46    45 S   HC   _H6_    58     1.10242   103.55955  -154.13774
   47    42 S   CT   _C18    69     1.54720   108.41211   104.32378
   48    47 S   HC   _H16    70     1.09041   112.97822  -175.45998
   49    47 S   HC   _H17    71     1.09691   110.92217    65.33462
   50    47 S   HC   _H18    72     1.09449   112.08243   -54.16799
   51    43 S   CM   _C8_    45     1.50039   115.71808   175.58798
   52    43 S   OH   _O37    67     1.43575   110.22739    54.92267
   53    52 S   HO   _H19    68     0.97311   106.77266  -166.30866
   54    51 S   CM   _C9_    46     1.33973   126.62246   128.82792
   55    54 S   CO4  _C10    47     1.47390   106.36747   175.45502
   56    55 S   O    _O33    48     1.21912   126.18783   177.05549
   57    54 S   CT   _C11    63     1.50482   131.01686    -5.26071
   58    57 S   OM   _O35    64     1.32317   106.62384    94.11770
   59    57 S   HC   _H13    65     1.10138   106.35912   -33.40457
   60    57 S   HC   _H14    66     1.10214   105.57380  -138.79755
   61    55 S   OS   _O34    49     1.36236   108.79438    -3.79049
   62    51 S   CT   _C7_    50     1.48636   121.97207   -55.55998
   63    62 S   HC   _H4_    51     1.09459   112.44709   -56.15696
   64    62 S   CT   _C6_    52     1.52709   114.07385    72.92147
   65    64 S   HC   _H11    53     1.09802   108.96111    45.96236
   66    64 S   HC   _H12    54     1.09945   108.52531   156.99261
   67    64 S   CT   _C5_    55     1.54238   117.28699   -78.42273
   68    67 S   HC   _H3_    56     1.09634   105.54568   151.36559
   69    67 S   CT   _C4_    59     1.54141   108.32767   -94.74717
   70    69 S   HC   _H8_    60     1.09542   111.05176    63.86235
   71    69 S   HC   _H9_    61     1.09567   110.79440   -56.03880
   72    69 S   HC   _H10    62     1.09344   112.05644  -175.29739
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1   9   4  13   4  17  18   7  17   5   6   2
   1   1  16   3   1  10   9   3   5   2   1   1   6   7   4   8
   4   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    67    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    64    67    68    45    46    69    47  
   38    39    40    42    67    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    67    45    46    47  
   40    41    42    45  
   41    42    43    44    51    67    45    46    52    47    48    49    50  
   42    43    45    47  
   43    44    51    54    62    64    67    68    45    46    69    52    53    47    48    49    50  
   44    51    54    55    61    62    63    64    67    45    46    57    52    53    47    48    49    50  
   51    54    62    45    52    53    47  
   46    69    70    71    72    52    47    48    49    50    51    62    64    65    66    67    68  
   69    47    64    67    68  
   48    49    50    51    52    67  
   49    50  
   50  
    0  
   54    55    56    61    62    63    64    65    66    67    57    58    59    60    52    53  
   53    54    62  
    0  
   55    56    61    62    63    64    57    58    59    60  
   56    61    62    63    64    57    58    59    60  
   61    62    57  
   58    59    60    61    62  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65    66    67    68    69  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   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    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   317.000  1.510
   33    45   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   317.000  1.510
   43    52   320.000  1.410
   51    54   549.000  1.340
   51    62   317.000  1.510
   54    55   320.000  1.462
   54    57   317.000  1.510
   55    56   570.000  1.229
   55    61   214.000  1.327
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    45   268.000  1.529
   67    69   268.000  1.529
   45    46   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   57    58   570.000  1.307
   57    59   340.000  1.090
   57    60   340.000  1.090
   52    53   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    42    58.35000  112.70000
   33    45    67    58.35000  112.70000
   33    45    46    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    70.00000  112.02700
   42    43    52    50.00000  109.50000
   42    45    67    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    51    54    70.00000  124.00000
   43    51    62    65.00000  117.92700
   43    52    53    55.00000  108.50000
   51    43    44    35.00000  109.50000
   51    54    55    65.00000  118.96000
   51    54    57    70.00000  124.00000
   51    62    61    85.00000  110.90400
   51    62    63    35.00000  109.50000
   51    62    64    70.00000  112.02700
   54    55    56    80.00000  123.72100
   54    55    61    90.00000  111.29400
   54    57    58    85.00000  110.90400
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    83.00000  116.90000
   61    55    56    83.00000  123.40000
   61    62    63    35.00000  109.50000
   61    62    64    50.00000  109.50000
   62    51    54    70.00000  124.00000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    58.35000  112.70000
   64    62    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    45    58.35000  112.70000
   64    67    69    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    45    46    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    37.50000  110.70000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    42    43    58.35000  112.70000
   45    67    68    37.50000  110.70000
   69    67    68    37.50000  110.70000
   69    67    45    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   57    54    55    65.00000  116.34900
   59    57    58    45.00000  125.66300
   60    57    58    45.00000  125.66300
   60    57    59    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    51    90.00000  110.39200
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    42   0.44750  1.0 1.0
   29    33    45    42  -0.17800 -1.0 2.0
   29    33    45    42   0.20200  1.0 3.0
   29    33    45    67   0.44750  1.0 1.0
   29    33    45    67  -0.17800 -1.0 2.0
   29    33    45    67   0.20200  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    42   0.15000  1.0 3.0
   34    33    45    67   0.15000  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   38    33   -45    42   0.34400  1.0 1.0
   38    33   -45    42   0.09450 -1.0 2.0
   38    33   -45    42   0.11100  1.0 3.0
   38    33    45    67   0.34400  1.0 1.0
   38    33    45    67   0.09450 -1.0 2.0
   38    33    45    67   0.11100  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.31000  1.0 1.0
   40    42    43    51   0.14700 -1.0 2.0
   40    42    43    51   0.07550  1.0 3.0
   40    42    43    52   1.05650  1.0 1.0
   40    42    43    52   0.15600 -1.0 2.0
   40    42    43    52   0.53150  1.0 3.0
   40    42   -45    33   0.34400  1.0 1.0
   40    42   -45    33   0.09450 -1.0 2.0
   40    42   -45    33   0.11100  1.0 3.0
   40    42    45    67   0.34400  1.0 1.0
   40    42    45    67   0.09450 -1.0 2.0
   40    42    45    67   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    54   0.09850  1.0 1.0
   42    43    51    54   0.15250 -1.0 2.0
   42    43    51    54  -0.50650  1.0 3.0
   42    43    51    62   0.46850  1.0 1.0
   42    43    51    62   0.08550 -1.0 2.0
   42    43    51    62   0.09800  1.0 3.0
   42    43    52    53  -0.11600  1.0 1.0
   42    43    52    53  -0.09450 -1.0 2.0
   42    43    52    53   0.21250  1.0 3.0
   43    42    45    33   0.56750  1.0 1.0
   43    42    45    33  -0.07550 -1.0 2.0
   43    42    45    33   0.20000  1.0 3.0
   43    42    45    67   0.56750  1.0 1.0
   43    42    45    67  -0.07550 -1.0 2.0
   43    42    45    67   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   7.00000 -1.0 2.0
   43    51    54    57   7.00000 -1.0 2.0
   43    51    62    61   0.09700  1.0 1.0
   43    51    62    61   0.15600 -1.0 2.0
   43    51    62    61  -0.50800  1.0 3.0
   43    51    62    63   0.34800  1.0 3.0
   43    51    62    64   0.46850  1.0 1.0
   43    51    62    64   0.08550 -1.0 2.0
   43    51    62    64   0.09800  1.0 3.0
   44    43    51    54   0.00000  1.0 1.0
   44    43    51    62   0.34800  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   51    43    52    53  -0.07800  1.0 1.0
   51    43    52    53  -0.21500 -1.0 2.0
   51    43    52    53  -0.03150  1.0 3.0
   51    54    55    56   1.00000 -1.0 2.0
   51    54   -55    61  -0.56150  1.0 1.0
   51    54   -55    61   2.19150 -1.0 2.0
   51    54    57    58   0.39000  1.0 1.0
   51    54    57    58  -0.05800 -1.0 2.0
   51    54    57    58  -0.55150  1.0 3.0
   51    54    57    59   0.00000  1.0 1.0
   51    54    57    60   0.00000  1.0 1.0
   51    62    64    65   0.15000  1.0 3.0
   51    62    64    66   0.15000  1.0 3.0
   51    62    64    67   0.34400  1.0 1.0
   51    62    64    67   0.09450 -1.0 2.0
   51    62    64    67   0.11100  1.0 3.0
   54    51   -62    61   0.39000  1.0 1.0
   54    51   -62    61  -0.05800 -1.0 2.0
   54    51   -62    61  -0.55150  1.0 3.0
   54    51    62    63   0.00000  1.0 1.0
   54    51    62    64   0.09850  1.0 1.0
   54    51    62    64   0.15250 -1.0 2.0
   54    51    62    64  -0.50650  1.0 3.0
   54    55   -61    62   2.00000 -1.0 2.0
   55    54    57    58   0.09700  1.0 1.0
   55    54    57    58   0.15600 -1.0 2.0
   55    54    57    58  -0.50800  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   55    61   -62    51  -0.82050  1.0 1.0
   55    61   -62    51   0.00600 -1.0 2.0
   55    61   -62    51   0.04400  1.0 3.0
   55    61    62    63   0.08050  1.0 3.0
   55    61    62    64  -0.25900  1.0 1.0
   55    61    62    64  -0.47000 -1.0 2.0
   55    61    62    64   0.11750  1.0 3.0
   56    55    61    62   3.00000 -1.0 2.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.23400  1.0 3.0
   61    62    64    67   0.62750  1.0 1.0
   61    62    64    67  -0.30950 -1.0 2.0
   61    62    64    67   0.27300  1.0 3.0
   62    51   -54    55   7.00000 -1.0 2.0
   62    51    54    57   7.00000 -1.0 2.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    45   0.56750  1.0 1.0
   62    64    67    45  -0.07550 -1.0 2.0
   62    64    67    45   0.20000  1.0 3.0
   62    64    67    69   0.56750  1.0 1.0
   62    64    67    69  -0.07550 -1.0 2.0
   62    64    67    69   0.20000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   64    67    45    33   0.56750  1.0 1.0
   64    67    45    33  -0.07550 -1.0 2.0
   64    67    45    33   0.20000  1.0 3.0
   64    67    45    42   0.56750  1.0 1.0
   64    67    45    42  -0.07550 -1.0 2.0
   64    67    45    42   0.20000  1.0 3.0
   64    67    45    46   0.15000  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    72   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    45   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    45   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   68    67    45    33   0.15000  1.0 3.0
   68    67    45    42   0.15000  1.0 3.0
   68    67    45    46   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40   0.09850  1.0 1.0
   45    33   -38    40   0.15250 -1.0 2.0
   45    33   -38    40  -0.50650  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.34400  1.0 1.0
   45    42    43    51   0.09450 -1.0 2.0
   45    42    43    51   0.11100  1.0 3.0
   45    42    43    52   0.86500  1.0 1.0
   45    42    43    52  -0.17500 -1.0 2.0
   45    42    43    52   0.20800  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    67    69    70   0.15000  1.0 3.0
   45    67    69    71   0.15000  1.0 3.0
   45    67    69    72   0.15000  1.0 3.0
   69    67    45    33   0.56750  1.0 1.0
   69    67    45    33  -0.07550 -1.0 2.0
   69    67    45    33   0.20000  1.0 3.0
   69    67    45    42   0.56750  1.0 1.0
   69    67    45    42  -0.07550 -1.0 2.0
   69    67    45    42   0.20000  1.0 3.0
   69    67    45    46   0.15000  1.0 3.0
   57    54    55    56  -0.64400  1.0 1.0
   57    54    55    56   0.26850 -1.0 2.0
   57    54    55    61  -0.15000  1.0 1.0
   57    54    55    61   0.89550 -1.0 2.0
   57    54    55    61  -0.06900  1.0 3.0
   52    43    51    54   0.67800  1.0 1.0
   52    43    51    54   0.47050 -1.0 2.0
   52    43    51    54  -0.62500  1.0 3.0
   52    43    51    62   0.18000  1.0 1.0
   52    43    51    62   0.16450 -1.0 2.0
   52    43    51    62   0.04450  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.34400  1.0 1.0
   47    42    43    51   0.09450 -1.0 2.0
   47    42    43    51   0.11100  1.0 3.0
   47    42    43    52   0.86500  1.0 1.0
   47    42    43    52  -0.17500 -1.0 2.0
   47    42    43    52   0.20800  1.0 3.0
   47    42    45    33   0.56750  1.0 1.0
   47    42    45    33  -0.07550 -1.0 2.0
   47    42    45    33   0.20000  1.0 3.0
   47    42    45    67   0.56750  1.0 1.0
   47    42    45    67  -0.07550 -1.0 2.0
   47    42    45    67   0.20000  1.0 3.0
   47    42    45    46   0.15000  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    62    51    54   1.10000 -1.0 2.0
   55    57    54    51   1.10000 -1.0 2.0
   54    61    55    56  10.50000 -1.0 2.0
END
