* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    223     416
    1     0 S   NP   _N1_     1    28.82268    94.99379   -21.44809
    2     1 S   H    _HN1     2     1.02951    82.43584    16.25628
    3     1 S   H    _H1_     3     1.02831    34.17435   152.40258
    4     1 S   H    _H2_     4     1.02780    94.37499   -91.74397
    5     1 S   CT   _CA1     5     1.50139   143.40770   130.50481
    6     5 S   HC   _HA1     6     1.09567   105.18160    72.13688
    7     5 S   CO3  _C1_     7     1.53801   112.49951   -48.06721
    8     7 S   O2Z  _O11     8     1.26375   114.98266   -39.09738
    9     7 S   O2Z  _O12     9     1.26237   114.99618   140.04735
   10     5 S   CT   _CB1    10     1.53093   107.42255  -169.78198
   11    10 S   HC   HB11    11     1.09826   109.42930   -48.39250
   12    10 S   HC   HB12    12     1.09821   110.39085    68.25703
   13    10 S   CT   _CG1    13     1.52983   112.64359  -169.37762
   14    13 S   HC   HG11    14     1.09578   110.51501   -64.81067
   15    13 S   HC   HG12    15     1.09661   109.89650    54.41919
   16    13 S   C    _CD1    16     1.51822   112.32308   174.85463
   17    16 S   O    _OE1    17     1.22721   123.29797     2.95651
   18    16 S   N    _N2_    18     1.38620   111.58798  -177.26398
   19    18 S   H    _HN2    19     1.01583   118.94427     1.96603
   20    18 S   CT1  _CA2    20     1.46333   123.51756  -179.56931
   21    20 S   HC   _HA2    21     1.09731   109.39933    -4.87078
   22    20 S   C    _C2_    22     1.53387   108.55423  -120.50017
   23    22 S   O    _O2_    23     1.23036   122.35701  -148.28215
   24    20 S   CT   _CB2    32     1.53351   111.13993   117.11702
   25    24 S   HC   HB21    33     1.09575   109.55784    56.23156
   26    24 S   HC   HB22    34     1.09492   110.98678   175.04967
   27    22 S   N    _N3_    24     1.38361   113.52916    39.22577
   28    27 S   H    _HN3    25     1.01628   119.49138    -3.61980
   29    24 S   S    _SG2    35     1.82585   111.00903   -65.28484
   30    27 S   CT   _CA3    26     1.45287   123.16062   176.96662
   31    30 S   HC   HA31    27     1.09551   107.52407   -63.89974
   32    30 S   HC   HA32    28     1.09557   107.95197    52.51245
   33    29 S   CT   _C18    36     1.81898    99.35929   149.37119
   34    33 S   HC   _H21    37     1.09512   110.32816   -43.83412
   35    33 S   HC   _H22    38     1.09442   108.33401    73.49002
   36    30 S   CO3  _C3_    29     1.52943   114.12485   174.49249
   37    36 S   O2Z  _O31    30     1.26369   116.05996    -0.91877
   38    36 S   O2Z  _O32    31     1.26429   114.41269   179.14453
   39    33 S   CM   _C16    39     1.49495   109.88222  -164.07871
   40    39 S   CMA  _C17    40     1.35560   128.66065  -104.12417
   41    40 S   OM   _O34    41     1.26267   128.27799     2.10970
   42    40 S   OS   _O33    42     1.44149   109.07264  -176.47647
   43    42 S   CT   _C12    43     1.43408   102.75563   -23.14274
   44    43 S   HC   _H4_    44     1.10069   107.07168   -78.25420
   45    39 S   CT   _C13    45     1.49165   121.91737    84.01693
   46    45 S   HC   _H5_    46     1.10131   105.94685    85.90745
   47    45 S   CT   _C14    47     1.52028   123.60783   -39.01223
   48    47 S   HC   _H17    48     1.09617   110.33259    64.52476
   49    47 S   HC   _H18    49     1.09522   111.43565   -53.94968
   50    47 S   CT   _C15    50     1.53906   108.65854  -175.79215
   51    50 S   HC   _H19    51     1.09635   109.14807   177.82049
   52    50 S   HC   _H20    52     1.09840   108.02275   -67.22770
   53    50 S   CT   _C5_    53     1.55924   113.84390    54.12073
   54    53 S   CT   _C6_    54     1.55410   109.05333  -169.21192
   55    54 S   HC   _H9_    55     1.09823   109.32676    54.31645
   56    54 S   HC   _H10    56     1.09721   110.31285   -62.24728
   57    53 S   CT   _C4_    69     1.55220   107.88454    72.82191
   58    57 S   HC   _H6_    70     1.09344   112.47243   -57.85960
   59    57 S   HC   _H7_    71     1.09377   112.67516  -178.66646
   60    57 S   HC   _H8_    72     1.09615   110.54257    61.60681
   61    54 S   CT   _C7_    57     1.53412   113.26166   175.04583
   62    61 S   HC   _H11    58     1.09650   109.18835  -173.30209
   63    61 S   HC   _H12    59     1.09650   109.77961    70.69925
   64    61 S   CT   _C8_    60     1.53020   112.66049   -51.72553
   65    64 S   HC   _H13    61     1.09737   109.39825   -70.36267
   66    64 S   HC   _H14    62     1.09650   109.05471   173.50587
   67    64 S   CM   _C9_    63     1.51204   111.54713    49.86386
   68    43 S   CT   _C11    64     1.53707   115.46431   159.17359
   69    68 S   HC   _H3_    65     1.10187   106.01489   -59.32194
   70    67 S   CM   _C10    66     1.34185   121.16069   124.48506
   71    70 S   HC   _H15    67     1.08387   122.28254  -179.25140
   72    70 S   HC   _H16    68     1.08522   121.13553     0.42567
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  15   7  11   5   9   5
   4  14   5   4  15  15   7   6   7   3   2   1   8   5   4   8
   4   3   5   4   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    47  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    50    68  
   41    42    43    44    45    46    47    68  
   42    43    45  
   43    44    45    46    47    53    67    68    69  
   44    45    46    47    48    49    50    53    54    64    67    68    69    70    57  
   45    46    47    53    67    68    69  
   46    47    48    49    50    51    52    53    67    68    69  
   47    48    49    50    68  
   48    49    50    51    52    53    54    68    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    67    68    69    57    58    59    60  
   52    53    54    68    57  
   53    54    68    57  
   54    55    56    61    62    63    64    67    68    69    70    57    58    59    60  
   55    56    61    62    63    64    65    66    67    68    69    57    58    59    60  
   56    61    62    63    64    68    57  
   61    62    63    64    68    57  
   58    59    60    61    67    68    69  
   59    60    68  
   60    68  
   68  
   62    63    64    65    66    67    68    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    68    70  
   67    68    70  
   68    69    70    71    72  
   69    70    71    72  
   70  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    68   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    68   268.000  1.529
   53    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   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   317.000  1.510
   67    70   549.000  1.340
   68    69   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    47    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    68    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    58.35000  112.70000
   43    68    53    58.35000  112.70000
   43    68    67    70.00000  112.02700
   43    68    69    37.50000  110.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    68    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    61    58.35000  112.70000
   53    68    67    70.00000  112.02700
   53    68    69    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    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    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    65.00000  117.92700
   64    67    70    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    68    69    35.00000  109.50000
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   68    43    44    37.50000  110.70000
   68    43    45    58.35000  112.70000
   68    53    54    58.35000  112.70000
   70    67    68    70.00000  124.00000
   72    70    71    35.00000  117.00000
   57    53    54    58.35000  112.70000
   57    53    68    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
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.46850  1.0 1.0
   33    39    45    47   0.08550 -1.0 2.0
   33    39    45    47   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    47    48   0.15000  1.0 3.0
   39    45    47    49   0.15000  1.0 3.0
   39    45    47    50   0.34400  1.0 1.0
   39    45    47    50   0.09450 -1.0 2.0
   39    45    47    50   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.09850  1.0 1.0
   40    39    45    47   0.15250 -1.0 2.0
   40    39    45    47  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    68  -0.46850  1.0 1.0
   40    42    43    68   0.09300 -1.0 2.0
   40    42    43    68  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.62750  1.0 1.0
   42    43    45    47  -0.30950 -1.0 2.0
   42    43    45    47   0.27300  1.0 3.0
   42    43    68    53   0.62750  1.0 1.0
   42    43    68    53  -0.30950 -1.0 2.0
   42    43    68    53   0.27300  1.0 3.0
   42    43    68    67   0.61850  1.0 1.0
   42    43    68    67  -0.22750 -1.0 2.0
   42    43    68    67   0.15300  1.0 3.0
   42    43    68    69   0.23400  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    49   0.15000  1.0 3.0
   43    45    47    50   0.56750  1.0 1.0
   43    45    47    50  -0.07550 -1.0 2.0
   43    45    47    50   0.20000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    68    53   0.15000  1.0 3.0
   44    43    68    67   0.15000  1.0 3.0
   44    43    68    69   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    68    53   0.56750  1.0 1.0
   45    43    68    53  -0.07550 -1.0 2.0
   45    43    68    53   0.20000  1.0 3.0
   45    43    68    67   0.34400  1.0 1.0
   45    43    68    67   0.09450 -1.0 2.0
   45    43    68    67   0.11100  1.0 3.0
   45    43    68    69   0.15000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   45    47   -50    53   0.56750  1.0 1.0
   45    47   -50    53  -0.07550 -1.0 2.0
   45    47   -50    53   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   47    50    53    54   0.56750  1.0 1.0
   47    50    53    54  -0.07550 -1.0 2.0
   47    50    53    54   0.20000  1.0 3.0
   47    50    53    68   0.56750  1.0 1.0
   47    50    53    68  -0.07550 -1.0 2.0
   47    50    53    68   0.20000  1.0 3.0
   47    50    53    57   0.56750  1.0 1.0
   47    50    53    57  -0.07550 -1.0 2.0
   47    50    53    57   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    54    55   0.15000  1.0 3.0
   50    53    54    56   0.15000  1.0 3.0
   50    53    54    61   0.56750  1.0 1.0
   50    53    54    61  -0.07550 -1.0 2.0
   50    53    54    61   0.20000  1.0 3.0
   50    53   -68    43   0.56750  1.0 1.0
   50    53   -68    43  -0.07550 -1.0 2.0
   50    53   -68    43   0.20000  1.0 3.0
   50    53    68    67   0.34400  1.0 1.0
   50    53    68    67   0.09450 -1.0 2.0
   50    53    68    67   0.11100  1.0 3.0
   50    53    68    69   0.15000  1.0 3.0
   50    53    57    58   0.15000  1.0 3.0
   50    53    57    59   0.15000  1.0 3.0
   50    53    57    60   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    68   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    68   0.15000  1.0 3.0
   52    50    53    57   0.15000  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54    61    64   0.56750  1.0 1.0
   53    54    61    64  -0.07550 -1.0 2.0
   53    54    61    64   0.20000  1.0 3.0
   54    53    68    43   0.56750  1.0 1.0
   54    53    68    43  -0.07550 -1.0 2.0
   54    53    68    43   0.20000  1.0 3.0
   54    53    68    67   0.34400  1.0 1.0
   54    53    68    67   0.09450 -1.0 2.0
   54    53    68    67   0.11100  1.0 3.0
   54    53    68    69   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.15000  1.0 3.0
   54    61   -64    67   0.34400  1.0 1.0
   54    61   -64    67   0.09450 -1.0 2.0
   54    61   -64    67   0.11100  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    67    68   0.46850  1.0 1.0
   61    64    67    68   0.08550 -1.0 2.0
   61    64    67    68   0.09800  1.0 3.0
   61    64    67    70   0.09850  1.0 1.0
   61    64    67    70   0.15250 -1.0 2.0
   61    64    67    70  -0.50650  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   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
   63    61    64    67   0.15000  1.0 3.0
   64    67    68    43   0.46850  1.0 1.0
   64    67    68    43   0.08550 -1.0 2.0
   64    67    68    43   0.09800  1.0 3.0
   64    67   -68    53   0.46850  1.0 1.0
   64    67   -68    53   0.08550 -1.0 2.0
   64    67   -68    53   0.09800  1.0 3.0
   64    67    68    69   0.34800  1.0 3.0
   64    67    70    71   7.00000 -1.0 2.0
   64    67    70    72   7.00000 -1.0 2.0
   65    64    67    68   0.34800  1.0 3.0
   65    64    67    70   0.00000  1.0 1.0
   66    64    67    68   0.34800  1.0 3.0
   66    64    67    70   0.00000  1.0 1.0
   68    43    45    39   0.34400  1.0 1.0
   68    43    45    39   0.09450 -1.0 2.0
   68    43    45    39   0.11100  1.0 3.0
   68    43    45    46   0.15000  1.0 3.0
   68    43   -45    47   0.56750  1.0 1.0
   68    43   -45    47  -0.07550 -1.0 2.0
   68    43   -45    47   0.20000  1.0 3.0
   68    53    54    55   0.15000  1.0 3.0
   68    53    54    56   0.15000  1.0 3.0
   68    53   -54    61   0.56750  1.0 1.0
   68    53   -54    61  -0.07550 -1.0 2.0
   68    53   -54    61   0.20000  1.0 3.0
   68    53    57    58   0.15000  1.0 3.0
   68    53    57    59   0.15000  1.0 3.0
   68    53    57    60   0.15000  1.0 3.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   70    67    68    43   0.09850  1.0 1.0
   70    67    68    43   0.15250 -1.0 2.0
   70    67    68    43  -0.50650  1.0 3.0
   70    67    68    53   0.09850  1.0 1.0
   70    67    68    53   0.15250 -1.0 2.0
   70    67    68    53  -0.50650  1.0 3.0
   70    67    68    69   0.00000  1.0 1.0
   57    53    54    55   0.15000  1.0 3.0
   57    53    54    56   0.15000  1.0 3.0
   57    53    54    61   0.56750  1.0 1.0
   57    53    54    61  -0.07550 -1.0 2.0
   57    53    54    61   0.20000  1.0 3.0
   57    53    68    43   0.56750  1.0 1.0
   57    53    68    43  -0.07550 -1.0 2.0
   57    53    68    43   0.20000  1.0 3.0
   57    53    68    67   0.34400  1.0 1.0
   57    53    68    67   0.09450 -1.0 2.0
   57    53    68    67   0.11100  1.0 3.0
   57    53    68    69   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
   37    30    36    38  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   64    68    67    70   1.10000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
END
