* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    132    206     381
    1     0 S   NP   _N1_     1    28.79980    96.12084   -18.21535
    2     1 S   H    _HN1     2     1.02962    84.89259     7.26301
    3     1 S   H    _H1_     3     1.02840    48.80720   125.10898
    4     1 S   H    _H2_     4     1.02778    74.69457  -103.39224
    5     1 S   CT   _CA1     5     1.50175   158.60053   144.18993
    6     5 S   HC   _HA1     6     1.09546   105.23248    44.06184
    7     5 S   CO3  _C1_     7     1.53928   112.39014   -76.33425
    8     7 S   O2Z  _O11     8     1.26374   114.98551   -36.95163
    9     7 S   O2Z  _O12     9     1.26257   115.22047   142.34956
   10     5 S   CT   _CB1    10     1.53171   107.44588   162.48331
   11    10 S   HC   HB11    11     1.09818   109.88166   -44.17837
   12    10 S   HC   HB12    12     1.09820   110.20320    72.60149
   13    10 S   CT   _CG1    13     1.52987   112.54600  -165.01680
   14    13 S   HC   HG11    14     1.09503   110.55676   -57.47659
   15    13 S   HC   HG12    15     1.09645   109.91356    61.45750
   16    13 S   C    _CD1    16     1.51930   112.40146  -178.10266
   17    16 S   O    _OE1    17     1.22706   123.28303    -5.06314
   18    16 S   N    _N2_    18     1.38440   111.49154   174.78008
   19    18 S   H    _HN2    19     1.01590   118.82304     5.48802
   20    18 S   CT1  _CA2    20     1.45852   123.80796  -179.32681
   21    20 S   HC   _HA2    21     1.09682   109.47616     0.42290
   22    20 S   C    _C2_    22     1.52817   106.53273  -116.62548
   23    22 S   O    _O2_    23     1.22992   122.92216   -26.90889
   24    20 S   CT   _CB2    32     1.53352   111.78101   123.88632
   25    24 S   HC   HB21    33     1.09433   110.25377    51.87050
   26    24 S   HC   HB22    34     1.09558   110.21443   169.49475
   27    22 S   N    _N3_    24     1.38460   112.64794   155.76615
   28    27 S   H    _HN3    25     1.01664   120.36719    -1.81035
   29    24 S   S    _SG2    35     1.83069   111.23754   -72.40044
   30    27 S   CT   _CA3    26     1.45362   122.45853   178.65448
   31    30 S   HC   HA31    27     1.09567   107.74024   -57.22804
   32    30 S   HC   HA32    28     1.09564   107.66947    59.09282
   33    29 S   CT   _C9_    36     1.86589   102.27679   126.51875
   34    30 S   CO3  _C3_    29     1.52887   114.34852  -179.09302
   35    34 S   O2Z  _O31    30     1.26333   116.05717    -0.30067
   36    34 S   O2Z  _O32    31     1.26436   114.41039   179.68225
   37    33 S   CM   _C10    37     1.52648   106.79635  -173.68671
   38    33 S   S    _S1_    59     1.83662   109.70437    62.18808
   39    37 S   N4   _N4_    38     1.35867   107.61670    96.89883
   40    37 S   CMA  _C11    56     1.51237   125.92442   -93.19692
   41    40 S   OM   _O33    57     1.26326   121.34662  -115.48834
   42    40 S   OM   _O34    58     1.26224   120.61656    63.26175
   43    38 S   CT   _C13    60     1.82794   102.41224  -177.94138
   44    43 S   HC   _H11    61     1.09441   107.87458    94.27889
   45    43 S   HC   _H12    62     1.09270   111.41608   -24.28034
   46    39 S   C4   _C12    39     1.34452   138.68915   139.80910
   47    46 S   O    _O35    40     1.20851   134.62489    32.05064
   48    39 S   C4T  _C7_    43     1.45086   114.38482    -1.93168
   49    48 S   HC   _H5_    44     1.09861   111.08885   -95.66900
   50    43 S   CT   _C14    63     1.52536   110.29742  -146.14830
   51    50 S   HC   _H13    64     1.09567   111.41816   -53.95291
   52    50 S   HC   _H14    65     1.09507   109.69286  -173.88301
   53    46 S   C4T  _C6_    41     1.56738    89.44582  -142.47598
   54    53 S   HC   _H4_    42     1.09821   111.55066  -114.02416
   55    33 S   CT   _C8_    45     1.56204   111.29915   -64.20865
   56    55 S   HC   _H9_    46     1.09478   111.83241   162.05910
   57    55 S   HC   _H10    47     1.09168   114.28466    41.12123
   58    50 S   NG   _N5_    66     1.47023   109.78353    67.97515
   59    58 S   H    _H15    67     1.02264   119.65663    17.22019
   60    53 S   CT   _C5_    48     1.52115   115.76203   116.16559
   61    60 S   HC   _H3_    49     1.09519   111.17953   -42.15963
   62    58 S   CG   _C15    68     1.32319   124.40992  -162.37137
   63    62 S   HC   _H16    69     1.07861   115.57748   179.40653
   64    60 S   CT   _C4_    50     1.52110   110.95662    79.85584
   65    64 S   HC   _H6_    51     1.09590   111.06982    59.27258
   66    64 S   HC   _H7_    52     1.09397   111.51310   -61.50721
   67    64 S   HC   _H8_    53     1.09516   110.42813   177.52947
   68    60 S   OH   _O36    54     1.42645   108.97806  -160.26145
   69    68 S   HO   _H19    55     0.97645   108.24598   -57.57496
   70    62 S   NG   _N6_    70     1.32142   128.50467    -0.71244
   71    70 S   H    _H17    71     1.01353   120.24574   179.90935
   72    70 S   H    _H18    72     1.01241   121.10207    -0.11535
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  14  13  13   5   1   1   9   5   4  10   4  10
   6   7   4   3  12   5   3   1   1   6   3   7   6   4   3   5
   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    48    55    56    57    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    46    53    48    49    55    56    57    40    41    42    38    43    44    45    50  
   35    36  
   36  
    0  
   39    46    47    53    48    49    55    56    57    40    41    42    38    43  
   43    44    45    50    51    52    58    39    40    48    55    56    57  
   46    47    53    54    48    49    55    56    57    60    40    41    42  
   41    42    46    48    55  
   42  
    0  
   44    45    50    51    52    58    59    62    55  
   45    50    51    52    58  
   50    51    52    58  
   47    53    54    48    49    55    60    61    64    68  
   53    54    48    60  
   49    55    56    57    60    61    64    68    53    54  
   55    56    57    60    53    54  
   51    52    58    59    62    63    70  
   52    58    59    62  
   58    59    62  
   54    55    56    57    60    61    64    65    66    67    68    69  
   55    60    61    64    68  
   56    57    60  
   57  
    0  
   59    62    63    70    71    72  
   62    63    70  
   61    64    65    66    67    68    69  
   64    65    66    67    68    69  
   63    70    71    72  
   70    71    72  
   65    66    67    68    69  
   66    67    68  
   67    68  
   68  
   69  
    0  
   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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.192400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.340900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.2500   0.0500   0.371400   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.139100   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   71   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    46   440.000  1.369
   39    48   305.000  1.456
   46    47   930.000  1.212
   46    53   250.000  1.540
   53    54   340.000  1.090
   53    48   268.000  1.529
   53    60   260.000  1.519
   48    49   340.000  1.090
   48    55   260.000  1.519
   55    56   340.000  1.090
   55    57   340.000  1.090
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    68   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   337.000  1.463
   58    59   434.000  1.010
   58    62   481.000  1.340
   62    63   385.000  1.083
   62    70   481.000  1.340
   70    71   434.000  1.010
   70    72   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    55    48    70.00000  112.98000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    43    62.00000   98.90000
   37    39    46    50.00000  132.10000
   37    39    48    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    46    47    75.00000  131.60000
   39    46    53    95.00000   92.72400
   39    48    53   105.00000   87.49700
   39    48    49    50.00000  112.01000
   39    48    55    80.00000  110.05700
   46    53    54    40.00000  113.37500
   46    53    48   100.00000   86.36000
   46    53    60    63.00000  111.10000
   53    46    47    60.00000  136.58000
   53    48    49    37.50000  110.70000
   53    48    55    65.00000  119.52000
   53    60    61    45.00000  111.22300
   53    60    64    70.00000  112.98000
   53    60    68    50.00000  109.50000
   48    39    46   100.00000   93.00000
   48    53    54    37.50000  110.70000
   48    55    56    45.00000  111.22300
   48    55    57    45.00000  111.22300
   55    33    37    70.00000  112.02700
   55    48    49    45.00000  112.72800
   57    55    56    33.00000  107.80000
   60    53    54    45.00000  112.72800
   60    53    48    65.00000  119.52000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   60    68    69    55.00000  108.50000
   64    60    61    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    64    50.00000  109.50000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    75.00000  112.20000
   38    33    55    75.00000  111.63000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    50    75.00000  111.63000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    58    80.00000  111.20000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    58    59    35.00000  118.40000
   50    58    62    50.00000  123.20000
   52    50    51    33.00000  107.80000
   58    50    51    35.00000  109.50000
   58    50    52    35.00000  109.50000
   58    62    63    45.00000  116.52200
   58    62    70    70.00000  120.00000
   62    58    59    35.00000  120.00000
   62    70    71    35.00000  120.00000
   62    70    72    35.00000  120.00000
   70    62    63    45.00000  116.52200
   72    70    71    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    55    48   0.44750  1.0 1.0
   29    33    55    48  -0.17800 -1.0 2.0
   29    33    55    48   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    38    43   0.08500  1.0 1.0
   29    33    38    43  -0.53150 -1.0 2.0
   29    33    38    43   0.48050  1.0 3.0
   33    37    39    46   0.00000  1.0 1.0
   33    37   -39    48   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    38    43    44   0.32350  1.0 3.0
   33    38    43    45   0.32350  1.0 3.0
   33    38    43    50   0.01700  1.0 1.0
   33    38    43    50  -0.23550 -1.0 2.0
   33    38    43    50   0.21350  1.0 3.0
   37    33   -55    48   0.34400  1.0 1.0
   37    33   -55    48   0.09450 -1.0 2.0
   37    33   -55    48   0.11100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    43  -0.62250  1.0 1.0
   37    33    38    43  -0.38450 -1.0 2.0
   37    33    38    43   0.81900  1.0 3.0
   37    39    46    47   3.00000 -1.0 2.0
   37    39    46    53   3.00000 -1.0 2.0
   37    39   -48    53   0.00000  1.0 1.0
   37    39    48    49   0.00000  1.0 1.0
   37    39   -48    55   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    46    53    54   0.00000  1.0 1.0
   39    46   -53    48   3.00000 -1.0 2.0
   39    46    53    60   1.39750  1.0 1.0
   39    46    53    60  -0.07950 -1.0 2.0
   39    46    53    60  -0.18750  1.0 3.0
   39    48   -55    33   0.43900  1.0 1.0
   39    48   -55    33   0.49100 -1.0 2.0
   39    48   -55    33   0.28400  1.0 3.0
   39    48    55    56   0.15000  1.0 3.0
   39    48    55    57   0.15000  1.0 3.0
   46    39   -48    53   0.00000  1.0 1.0
   46    39    48    49   0.00000  1.0 1.0
   46    39    48    55   0.00000  1.0 1.0
   46    53   -48    39   3.00000 -1.0 2.0
   46    53   -48    49   0.15000  1.0 3.0
   46    53   -48    55  -0.95700  1.0 1.0
   46    53   -48    55  -0.18200 -1.0 2.0
   46    53   -48    55   0.29450  1.0 3.0
   46    53    60    61  -0.11250  1.0 3.0
   46    53    60    64  -0.95700  1.0 1.0
   46    53    60    64  -0.18200 -1.0 2.0
   46    53    60    64   0.29450  1.0 3.0
   46    53    60    68  -0.09450  1.0 1.0
   46    53    60    68  -1.12950 -1.0 2.0
   46    53    60    68   0.54000  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    48  -0.11250  1.0 1.0
   47    46    53    48   0.11400 -1.0 2.0
   47    46    53    48  -0.28950  1.0 3.0
   47    46    53    60   0.30150 -1.0 2.0
   53    48    55    33   0.04050  1.0 1.0
   53    48    55    33   0.63700 -1.0 2.0
   53    48    55    33   0.17650  1.0 3.0
   53    48    55    56   0.00000  1.0 1.0
   53    48    55    57   0.00000  1.0 1.0
   53    60    64    65   0.15000  1.0 3.0
   53    60    64    66   0.15000  1.0 3.0
   53    60    64    67   0.15000  1.0 3.0
   53    60    68    69  -0.11600  1.0 1.0
   53    60    68    69  -0.09450 -1.0 2.0
   53    60    68    69   0.21250  1.0 3.0
   54    53   -48    39   0.15000  1.0 3.0
   54    53    48    49   0.15000  1.0 3.0
   54    53    48    55   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    64   0.15000  1.0 3.0
   54    53    60    68   0.23400  1.0 3.0
   48    39   -46    47   3.00000 -1.0 2.0
   48    39   -46    53   3.00000 -1.0 2.0
   48    53    60    61   0.00000  1.0 1.0
   48    53    60    64   0.04050  1.0 1.0
   48    53    60    64   0.63700 -1.0 2.0
   48    53    60    64   0.17650  1.0 3.0
   48    53    60    68   0.86500  1.0 1.0
   48    53    60    68  -0.17500 -1.0 2.0
   48    53    60    68   0.20800  1.0 3.0
   49    48    55    33   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   55    33   -37    39  -0.93550  1.0 1.0
   55    33   -37    39   0.38900 -1.0 2.0
   55    33   -37    39   0.16950  1.0 3.0
   55    33    37    40   0.09850  1.0 1.0
   55    33    37    40   0.15250 -1.0 2.0
   55    33    37    40  -0.50650  1.0 3.0
   55    33    38    43   0.01700  1.0 1.0
   55    33    38    43  -0.23550 -1.0 2.0
   55    33    38    43   0.21350  1.0 3.0
   60    53   -48    39   0.43900  1.0 1.0
   60    53   -48    39   0.49100 -1.0 2.0
   60    53   -48    39   0.28400  1.0 3.0
   60    53    48    49   0.15000  1.0 3.0
   60    53    48    55   0.56750  1.0 1.0
   60    53    48    55  -0.07550 -1.0 2.0
   60    53    48    55   0.20000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    68    69   0.19450  1.0 3.0
   64    60    68    69  -0.11600  1.0 1.0
   64    60    68    69  -0.09450 -1.0 2.0
   64    60    68    69   0.21250  1.0 3.0
   68    60    64    65   0.23400  1.0 3.0
   68    60    64    66   0.23400  1.0 3.0
   68    60    64    67   0.23400  1.0 3.0
   40    37    39    46   0.00000  1.0 1.0
   40    37    39    48   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    55    48   0.44750  1.0 1.0
   38    33    55    48  -0.17800 -1.0 2.0
   38    33    55    48   0.20200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    52   0.15000  1.0 3.0
   38    43    50    58   0.56750  1.0 1.0
   38    43    50    58  -0.07550 -1.0 2.0
   38    43    50    58   0.20000  1.0 3.0
   43    50    58    59  -0.09500  1.0 1.0
   43    50    58    59  -0.20850 -1.0 2.0
   43    50    58    59   0.20900  1.0 3.0
   43    50    58    62   0.25550 -1.0 2.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    58  -0.29100  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    58  -0.29100  1.0 3.0
   50    58    62    63  -0.09200  1.0 1.0
   50    58    62    63   0.68550 -1.0 2.0
   50    58    62    70   3.96800 -1.0 2.0
   51    50    58    59   0.00000  1.0 1.0
   51    50    58    62   0.08850  1.0 3.0
   52    50    58    59   0.00000  1.0 1.0
   52    50    58    62   0.08850  1.0 3.0
   58    62    70    71   1.50000 -1.0 2.0
   58    62    70    72   1.50000 -1.0 2.0
   59    58    62    63   1.00000 -1.0 2.0
   59    58    62    70   1.50000 -1.0 2.0
   63    62    70    71   1.00000 -1.0 2.0
   63    62    70    72   1.00000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    40   1.10000 -1.0 2.0
   48    46    39    37   1.00000 -1.0 2.0
   39    53    46    47  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   59    62    58    50   1.00000 -1.0 2.0
   58    63    62    70  10.50000 -1.0 2.0
   71    72    70    62   1.00000 -1.0 2.0
END
