* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    220     413
    1     0 S   NP   _N1_     1    28.71552    94.91873   -22.21283
    2     1 S   H    _HN1     2     1.02775    96.57096   -79.53641
    3     1 S   H    _H1_     3     1.02974    84.60672    28.29908
    4     1 S   H    _H2_     4     1.02819    30.60178   165.88232
    5     1 S   CT   _CA1     5     1.50169   139.91754   143.68568
    6     5 S   HC   _HA1     6     1.09584   105.18682    71.00474
    7     5 S   CO3  _C1_     7     1.53771   112.47137   -48.95717
    8     7 S   O2Z  _O11     8     1.26344   115.03520   -41.36578
    9     7 S   O2Z  _O12     9     1.26260   114.91520   137.68238
   10     5 S   CT   _CB1    10     1.53062   107.29501  -171.30480
   11    10 S   HC   HB11    11     1.09818   109.03756   -52.25155
   12    10 S   HC   HB12    12     1.09825   110.43934    64.12759
   13    10 S   CT   _CG1    13     1.53011   112.90762  -173.58216
   14    13 S   HC   HG11    14     1.09597   110.23307   -65.75631
   15    13 S   HC   HG12    15     1.09640   110.18947    53.47554
   16    13 S   C    _CD1    16     1.51812   112.19939   173.43326
   17    16 S   O    _OE1    17     1.22716   123.18128   -11.46027
   18    16 S   N    _N2_    18     1.38626   111.82437   169.76634
   19    18 S   H    _HN2    19     1.01566   119.09381     1.62015
   20    18 S   CT1  _CA2    20     1.46084   123.25081  -179.80021
   21    20 S   HC   _HA2    21     1.09602   109.38852    -2.08732
   22    20 S   C    _C2_    22     1.53503   108.80354  -117.45655
   23    22 S   O    _O2_    23     1.23053   122.07937  -146.55876
   24    20 S   CT   _CB2    32     1.53345   111.59231   120.16289
   25    24 S   HC   HB21    33     1.09656   109.66950    61.48465
   26    24 S   HC   HB22    34     1.09575   110.89992   178.82914
   27    22 S   N    _N3_    24     1.38466   113.62903    40.85414
   28    27 S   H    _HN3    25     1.01502   118.97517    -0.54536
   29    24 S   S    _SG2    35     1.82790   114.67318   -58.43564
   30    27 S   CT   _CA3    26     1.45443   123.45238   175.28590
   31    30 S   HC   HA31    27     1.09520   109.33541    23.73181
   32    30 S   HC   HA32    28     1.09501   107.13450   140.70478
   33    29 S   CT   _C17    36     1.82159    99.80478   -66.14910
   34    33 S   HC   _H18    37     1.09449   109.67074   -46.66797
   35    33 S   HC   _H19    38     1.09353   108.49388    70.24458
   36    30 S   CO3  _C3_    29     1.52885   112.88470   -99.80266
   37    36 S   O2Z  _O31    30     1.26412   115.26582   -49.71807
   38    36 S   O2Z  _O32    31     1.26332   115.08493   131.14760
   39    33 S   CM   _C16    39     1.50203   110.22983  -167.78757
   40    39 S   CMA  _C15    40     1.35156   127.44929  -109.43929
   41    40 S   OM   _O34    41     1.26300   128.03165     0.18767
   42    40 S   OS   _O33    42     1.42228   109.80729  -178.61083
   43    42 S   CT   _C13    43     1.43517   106.34173   -14.03763
   44    43 S   HC   _H5_    44     1.09926   106.27951   -95.15401
   45    43 S   CT   _C14    45     1.52822   111.15028   147.08918
   46    45 S   HC   _H16    46     1.09771   109.42186    50.87873
   47    45 S   HC   _H17    47     1.09904   107.60548   166.37583
   48    45 S   CT   _C9_    48     1.55769   114.26194   -72.27055
   49    48 S   CM   _C10    49     1.53038   110.19543   -49.63065
   50    48 S   CT   _C18    69     1.54644   109.47593    72.32540
   51    50 S   HC   _H20    70     1.09611   110.86618    45.89243
   52    50 S   HC   _H21    71     1.09408   112.12801   -74.81786
   53    50 S   HC   _H22    72     1.09254   113.16278   165.33506
   54    49 S   CM   _C11    50     1.34877   120.55366    25.97153
   55    54 S   HC   _H15    51     1.08646   119.60726  -176.89266
   56    49 S   CT   _C5_    54     1.53101   117.62500  -149.08662
   57    56 S   HC   _H3_    55     1.09940   106.63469    95.64315
   58    39 S   CT   _C12    52     1.49624   121.06061    72.42268
   59    58 S   HC   _H4_    53     1.09648   111.68326   -53.58477
   60    56 S   CT   _C6_    56     1.53626   112.69804   -21.25299
   61    60 S   HC   _H9_    57     1.09710   109.57249   -70.56881
   62    60 S   HC   _H10    58     1.09778   110.06354   174.20302
   63    56 S   CT   _C4_    65     1.53614   114.27727  -145.70943
   64    63 S   HC   _H6_    66     1.09569   111.27230    55.06975
   65    63 S   HC   _H7_    67     1.09449   111.76334   -66.11956
   66    63 S   HC   _H8_    68     1.09582   110.82786   175.11328
   67    60 S   CT   _C7_    59     1.52803   113.65960    52.35395
   68    67 S   HC   _H11    60     1.09723   109.49577    94.85890
   69    67 S   HC   _H12    61     1.09698   108.74737  -150.13016
   70    48 S   CT   _C8_    62     1.54654   107.43006  -168.30198
   71    70 S   HC   _H13    63     1.09953   109.12104    56.44870
   72    70 S   HC   _H14    64     1.09771   110.56995   -59.41256
  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  11   8   3   9  12   7  16   6   5  18
  21   9   3   2   1   8   3  13   8   1   1  12   6   5   4   2
   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    58  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    54    58    59  
   35    39    40    58  
   39    40    58  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    54    55    58    59  
   41    42    43    44    45    54    58    59  
   42    43    58  
   43    44    45    46    47    48    54    58    59  
   44    45    46    47    48    49    54    55    58    59    70    50  
   45    46    47    48    54    58    59  
   46    47    48    49    54    58    59    56    67    70    71    72    50    51    52    53  
   47    48    49    58    70    50  
   48    49    58    70    50  
   49    54    55    58    56    57    60    67    68    69    70    71    72    63    50    51    52    53  
   54    55    58    59    56    57    60    61    62    67    70    71    72    63    64    65    66    50    51    52    53  
   51    52    53    54    56    67    70    71    72  
   52    53    70  
   53    70  
   70  
   55    58    59    56    57    60    70    63  
   58    59    56  
   57    60    61    62    67    68    69    70    63    64    65    66    58  
   60    61    62    67    63    64    65    66  
   59  
    0  
   61    62    67    68    69    70    71    72    63    64    65    66  
   62    67    68    69    70    63  
   67    68    69    70    63  
   64    65    66    67  
   65    66  
   66  
    0  
   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   0.047500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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    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    58   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    58   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   317.000  1.510
   48    70   268.000  1.529
   48    50   268.000  1.529
   49    54   549.000  1.340
   49    56   317.000  1.510
   54    55   340.000  1.080
   54    58   317.000  1.510
   58    59   340.000  1.090
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    58    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    58    43    70.00000  112.02700
   39    58    54    70.00000  110.12100
   39    58    59    35.00000  109.50000
   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    58    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    58    54    70.00000  112.02700
   43    58    59    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    48    49    70.00000  112.02700
   45    48    70    58.35000  112.70000
   45    48    50    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    49    54    70.00000  124.00000
   48    49    56    65.00000  117.92700
   48    70    67    58.35000  112.70000
   48    70    71    37.50000  110.70000
   48    70    72    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    37.50000  110.70000
   49    54    55    35.00000  120.00000
   49    54    58    70.00000  124.00000
   49    56    57    35.00000  109.50000
   49    56    60    70.00000  112.02700
   49    56    63    70.00000  112.02700
   54    58    59    35.00000  109.50000
   58    39    40    70.00000  124.00000
   58    43    44    37.50000  110.70000
   58    43    45    58.35000  112.70000
   58    54    55    35.00000  117.00000
   56    49    54    70.00000  124.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    67    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   60    56    57    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    48    49    70.00000  112.02700
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   72    70    71    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   50    48    49    70.00000  112.02700
   50    48    70    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    58   0.30250  1.0 1.0
   29    33    39    58  -0.14950 -1.0 2.0
   29    33    39    58   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    58    43   0.46850  1.0 1.0
   33    39    58    43   0.08550 -1.0 2.0
   33    39    58    43   0.09800  1.0 3.0
   33    39    58    54   0.09700  1.0 1.0
   33    39    58    54   0.15600 -1.0 2.0
   33    39    58    54  -0.50800  1.0 3.0
   33    39    58    59   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    58   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    58   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
   40    39   -58    43   0.09850  1.0 1.0
   40    39   -58    43   0.15250 -1.0 2.0
   40    39   -58    43  -0.50650  1.0 3.0
   40    39    58    54  -0.28300  1.0 1.0
   40    39    58    54   0.26700 -1.0 2.0
   40    39    58    54  -0.63300  1.0 3.0
   40    39    58    59   0.00000  1.0 1.0
   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    58  -0.46850  1.0 1.0
   40    42   -43    58   0.09300 -1.0 2.0
   40    42   -43    58  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43   -58    39   0.61850  1.0 1.0
   42    43   -58    39  -0.22750 -1.0 2.0
   42    43   -58    39   0.15300  1.0 3.0
   42    43    58    54   0.61850  1.0 1.0
   42    43    58    54  -0.22750 -1.0 2.0
   42    43    58    54   0.15300  1.0 3.0
   42    43    58    59   0.23400  1.0 3.0
   43    45    48    49   0.34400  1.0 1.0
   43    45    48    49   0.09450 -1.0 2.0
   43    45    48    49   0.11100  1.0 3.0
   43    45    48    70   0.56750  1.0 1.0
   43    45    48    70  -0.07550 -1.0 2.0
   43    45    48    70   0.20000  1.0 3.0
   43    45    48    50   0.56750  1.0 1.0
   43    45    48    50  -0.07550 -1.0 2.0
   43    45    48    50   0.20000  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    45    48   0.15000  1.0 3.0
   44    43    58    39   0.15000  1.0 3.0
   44    43    58    54   0.15000  1.0 3.0
   44    43    58    59   0.15000  1.0 3.0
   45    43    58    39   0.34400  1.0 1.0
   45    43    58    39   0.09450 -1.0 2.0
   45    43    58    39   0.11100  1.0 3.0
   45    43    58    54   0.34400  1.0 1.0
   45    43    58    54   0.09450 -1.0 2.0
   45    43    58    54   0.11100  1.0 3.0
   45    43    58    59   0.15000  1.0 3.0
   45    48   -49    54   0.09850  1.0 1.0
   45    48   -49    54   0.15250 -1.0 2.0
   45    48   -49    54  -0.50650  1.0 3.0
   45    48    49    56   0.46850  1.0 1.0
   45    48    49    56   0.08550 -1.0 2.0
   45    48    49    56   0.09800  1.0 3.0
   45    48    70    67   0.56750  1.0 1.0
   45    48    70    67  -0.07550 -1.0 2.0
   45    48    70    67   0.20000  1.0 3.0
   45    48    70    71   0.15000  1.0 3.0
   45    48    70    72   0.15000  1.0 3.0
   45    48    50    51   0.15000  1.0 3.0
   45    48    50    52   0.15000  1.0 3.0
   45    48    50    53   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    70   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    70   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   48    49    54    55   7.00000 -1.0 2.0
   48    49    54    58   7.00000 -1.0 2.0
   48    49    56    57   0.34800  1.0 3.0
   48    49    56    60   0.46850  1.0 1.0
   48    49    56    60   0.08550 -1.0 2.0
   48    49    56    60   0.09800  1.0 3.0
   48    49    56    63   0.46850  1.0 1.0
   48    49    56    63   0.08550 -1.0 2.0
   48    49    56    63   0.09800  1.0 3.0
   49    48    70    67   0.34400  1.0 1.0
   49    48    70    67   0.09450 -1.0 2.0
   49    48    70    67   0.11100  1.0 3.0
   49    48    70    71   0.15000  1.0 3.0
   49    48    70    72   0.15000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    54    58    39  -0.28300  1.0 1.0
   49    54    58    39   0.26700 -1.0 2.0
   49    54    58    39  -0.63300  1.0 3.0
   49    54   -58    43   0.09850  1.0 1.0
   49    54   -58    43   0.15250 -1.0 2.0
   49    54   -58    43  -0.50650  1.0 3.0
   49    54    58    59   0.00000  1.0 1.0
   49    56    60    61   0.15000  1.0 3.0
   49    56    60    62   0.15000  1.0 3.0
   49    56   -60    67   0.34400  1.0 1.0
   49    56   -60    67   0.09450 -1.0 2.0
   49    56   -60    67   0.11100  1.0 3.0
   49    56    63    64   0.15000  1.0 3.0
   49    56    63    65   0.15000  1.0 3.0
   49    56    63    66   0.15000  1.0 3.0
   54    49    56    57   0.00000  1.0 1.0
   54    49    56    60   0.09850  1.0 1.0
   54    49    56    60   0.15250 -1.0 2.0
   54    49    56    60  -0.50650  1.0 3.0
   54    49    56    63   0.09850  1.0 1.0
   54    49    56    63   0.15250 -1.0 2.0
   54    49    56    63  -0.50650  1.0 3.0
   55    54    58    39   0.00000  1.0 1.0
   55    54    58    43   0.00000  1.0 1.0
   55    54    58    59   0.33100  1.0 3.0
   58    39    40    41   7.00000 -1.0 2.0
   58    39   -40    42   7.00000 -1.0 2.0
   58    43    45    46   0.15000  1.0 3.0
   58    43    45    47   0.15000  1.0 3.0
   58    43   -45    48   0.56750  1.0 1.0
   58    43   -45    48  -0.07550 -1.0 2.0
   58    43   -45    48   0.20000  1.0 3.0
   56    49    54    55   7.00000 -1.0 2.0
   56    49    54    58   7.00000 -1.0 2.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    70   0.56750  1.0 1.0
   56    60    67    70  -0.07550 -1.0 2.0
   56    60    67    70   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    67   0.15000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   60    56    63    64   0.15000  1.0 3.0
   60    56    63    65   0.15000  1.0 3.0
   60    56    63    66   0.15000  1.0 3.0
   60    67   -70    48   0.56750  1.0 1.0
   60    67   -70    48  -0.07550 -1.0 2.0
   60    67   -70    48   0.20000  1.0 3.0
   60    67    70    71   0.15000  1.0 3.0
   60    67    70    72   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    70   0.15000  1.0 3.0
   68    67    70    48   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   69    67    70    48   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   70    48    49    54   0.09850  1.0 1.0
   70    48    49    54   0.15250 -1.0 2.0
   70    48    49    54  -0.50650  1.0 3.0
   70    48   -49    56   0.46850  1.0 1.0
   70    48   -49    56   0.08550 -1.0 2.0
   70    48   -49    56   0.09800  1.0 3.0
   70    48    50    51   0.15000  1.0 3.0
   70    48    50    52   0.15000  1.0 3.0
   70    48    50    53   0.15000  1.0 3.0
   63    56    60    61   0.15000  1.0 3.0
   63    56    60    62   0.15000  1.0 3.0
   63    56    60    67   0.56750  1.0 1.0
   63    56    60    67  -0.07550 -1.0 2.0
   63    56    60    67   0.20000  1.0 3.0
   50    48    49    54   0.09850  1.0 1.0
   50    48    49    54   0.15250 -1.0 2.0
   50    48    49    54  -0.50650  1.0 3.0
   50    48    49    56   0.46850  1.0 1.0
   50    48    49    56   0.08550 -1.0 2.0
   50    48    49    56   0.09800  1.0 3.0
   50    48    70    67   0.56750  1.0 1.0
   50    48    70    67  -0.07550 -1.0 2.0
   50    48    70    67   0.20000  1.0 3.0
   50    48    70    71   0.15000  1.0 3.0
   50    48    70    72   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    58    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   48    56    49    54   1.10000 -1.0 2.0
   58    55    54    49   1.10000 -1.0 2.0
END
