* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    117    180     341
    1     0 S   NP   _N1_     1    29.02105    95.51580   -26.58823
    2     1 S   H    _HN1     2     1.02944    73.54332     4.42687
    3     1 S   H    _H1_     3     1.02825    34.57931  -161.17398
    4     1 S   H    _H2_     4     1.02800   127.35929   -96.42475
    5     1 S   CT   _CA1     5     1.50136   115.96934   109.53349
    6     5 S   HC   _HA1     6     1.09572   105.13909    96.64389
    7     5 S   CO3  _C1_     7     1.53750   112.49992   -23.55934
    8     7 S   O2Z  _O11     8     1.26379   114.99849   -41.80947
    9     7 S   O2Z  _O12     9     1.26230   114.93732   137.15604
   10     5 S   CT   _CB1    10     1.53043   107.39554  -145.37657
   11    10 S   HC   HB11    11     1.09849   109.29883   -49.05355
   12    10 S   HC   HB12    12     1.09810   110.48479    67.52054
   13    10 S   CT   _CG1    13     1.53054   112.68655  -169.96273
   14    13 S   HC   HG11    14     1.09557   110.82571   -68.84340
   15    13 S   HC   HG12    15     1.09663   109.63296    50.42467
   16    13 S   C    _CD1    16     1.51812   111.71054   170.98162
   17    16 S   O    _OE1    17     1.22779   123.05531    17.66512
   18    16 S   N    _N2_    18     1.38635   112.02339  -162.33638
   19    18 S   H    _HN2    19     1.01573   119.01828     0.48899
   20    18 S   CT1  _CA2    20     1.46218   123.30066   175.40066
   21    20 S   HC   _HA2    21     1.09737   109.28191     9.19167
   22    20 S   C    _C2_    22     1.53720   108.74029  -106.31859
   23    22 S   O    _O2_    23     1.23084   122.24619  -147.74727
   24    20 S   CT   _CB2    32     1.53296   111.79023   131.25587
   25    24 S   HC   HB21    33     1.09588   110.15831    57.04348
   26    24 S   HC   HB22    34     1.09449   109.84065   176.03958
   27    22 S   N    _N3_    24     1.38311   113.87999    39.65719
   28    27 S   H    _HN3    25     1.01528   119.65491    -2.83883
   29    24 S   S    _SG2    35     1.82677   111.66820   -63.85095
   30    27 S   CT   _CA3    26     1.45284   123.34318   177.41109
   31    30 S   HC   HA31    27     1.09545   107.48381   -65.75095
   32    30 S   HC   HA32    28     1.09553   108.04314    50.73060
   33    29 S   CT   _C12    36     1.85555    99.41769   178.32684
   34    33 S   HC   _H4_    37     1.09669   105.96748   -41.54262
   35    30 S   CO3  _C3_    29     1.52999   114.00087   172.75224
   36    35 S   O2Z  _O31    30     1.26393   116.08103    -0.53082
   37    35 S   O2Z  _O32    31     1.26423   114.41978   179.53186
   38    33 S   CA   _C13    38     1.52246   109.80930    76.03832
   39    33 S   CT   _C11    48     1.55236   109.74525  -158.88931
   40    39 S   HC   _H3_    49     1.10010   108.38893   -56.10346
   41    38 S   CA   _C14    39     1.39953   119.77184  -113.73081
   42    41 S   HA   _H12    40     1.08518   121.36735     0.30647
   43    39 S   CA   _C8_    50     1.52677   113.24871  -176.05404
   44    39 S   CO3  _C18    65     1.54942   114.63018    63.01024
   45    44 S   O2Z  _O35    66     1.26366   116.26806    31.50712
   46    44 S   O2Z  _O34    67     1.26587   114.56136  -148.56952
   47    41 S   CA   _C15    41     1.38684   118.68817  -179.56749
   48    47 S   HA   _H13    42     1.08523   120.71112   179.97202
   49    43 S   CA   _C7_    51     1.40137   119.73236   124.84815
   50    49 S   HA   _H9_    52     1.08726   120.43706     0.40056
   51    47 S   NB   _N4_    43     1.34996   124.12523    -0.00000
   52    49 S   CA   _C6_    53     1.39676   120.63876  -179.48036
   53    52 S   HA   _H8_    54     1.08733   119.20264   179.83807
   54    51 S   CA   _C16    44     1.35008   116.22537     0.01978
   55    54 S   HA   _H14    45     1.08524   115.15876   179.98022
   56    52 S   CA   _C5_    55     1.39736   120.65136    -0.19979
   57    38 S   CA   _C17    46     1.39981   122.06562    66.70775
   58    57 S   HA   _H15    47     1.08495   121.54164    -0.45542
   59    56 S   CA   _C10    56     1.39532   119.14487    -0.15323
   60    59 S   HA   _H11    57     1.08536   121.96054  -179.72446
   61    56 S   OS   _O33    60     1.36946   114.97375   179.93744
   62    43 S   CA   _C9_    58     1.40287   121.89924   -55.15640
   63    62 S   HA   _H10    59     1.08745   120.42285    -0.68013
   64    61 S   CT   _C4_    61     1.42266   116.74431  -179.96574
   65    64 S   HC   _H5_    62     1.09429   107.75300   179.89913
   66    64 S   HC   _H6_    63     1.09503   111.14204    62.14253
   67    64 S   HC   _H7_    64     1.09502   111.13520   -62.34788
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  13  13   6   7   4  12   4   1   1   5   2
   8   4   4   7   3   3   2   9   1   1   5   3   5   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    54    57    58    39    40    43    49    62    44    45    46  
   38    41    57    39    40    43    44  
   36    37  
   37  
    0  
   41    42    47    48    51    54    55    57    58    39    40    43    44  
   40    43    49    50    52    59    62    63    44    45    46    41    57  
   43    49    62    44    45    46  
   42    47    48    51    54    57    58  
   47    48    51    57  
   49    50    52    53    56    59    60    62    63    44    45    46  
   45    46    49    62  
   46  
    0  
   48    51    54    55    57  
   51    54  
   50    52    53    56    59    62    63    61  
   52    53    56    62  
   54    55    57    58  
   53    56    59    60    62    61    64  
   56    59    61  
   55    57    58  
   57    58  
   59    60    62    63    61    64    65    66    67  
   58  
    0  
   60    62    63    61    64  
   62    63    61  
   64    65    66    67    62  
   63  
    0  
   65    66    67  
   66    67  
   67  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.177000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.045000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    48   367.000  1.080
   47    51   483.000  1.339
   51    54   483.000  1.339
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   317.000  1.522
   43    49   469.000  1.400
   43    62   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    59   469.000  1.400
   56    61   450.000  1.364
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    63   367.000  1.080
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    57    54    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    47    48    35.00000  120.00000
   41    47    51    70.00000  124.00000
   47    41    42    35.00000  120.00000
   47    51    54    70.00000  117.00000
   51    47    48    35.00000  116.00000
   51    54    55    35.00000  116.00000
   51    54    57    70.00000  124.00000
   54    57    58    35.00000  120.00000
   57    38    41    63.00000  120.00000
   57    54    55    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    49    70.00000  120.00000
   39    43    62    70.00000  120.00000
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   43    39    40    35.00000  109.50000
   43    49    50    35.00000  120.00000
   43    49    52    63.00000  120.00000
   43    62    59    63.00000  120.00000
   43    62    63    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    56    63.00000  120.00000
   52    49    50    35.00000  120.00000
   52    56    59    63.00000  120.00000
   52    56    61    70.00000  120.00000
   56    52    53    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    62    63.00000  120.00000
   56    61    64    75.00000  111.00000
   59    62    63    35.00000  120.00000
   62    43    49    63.00000  120.00000
   62    59    60    35.00000  120.00000
   61    56    59    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    43    70.00000  106.62600
   46    44    45    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    57    54   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    49   0.04150 -1.0 2.0
   33    39    43    62   0.04150 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.43200  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.94300  1.0 1.0
   38    33    39    43   1.32550 -1.0 2.0
   38    33    39    43  -0.07100  1.0 3.0
   38    33    39    44  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    51   3.62500 -1.0 2.0
   41    38    57    54   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    47   -51    54   3.62500 -1.0 2.0
   42    41    47    48   3.62500 -1.0 2.0
   42    41    47    51   3.62500 -1.0 2.0
   47    51    54    55   3.62500 -1.0 2.0
   47    51    54    57   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    54   -57    38   3.62500 -1.0 2.0
   51    54    57    58   3.62500 -1.0 2.0
   55    54    57    38   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    47   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    43    49    50   3.62500 -1.0 2.0
   39    43    49    52   3.62500 -1.0 2.0
   39    43    62    59   3.62500 -1.0 2.0
   39    43    62    63   3.62500 -1.0 2.0
   40    39    43    49   0.00000  1.0 1.0
   40    39    43    62   0.00000  1.0 1.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   43    39    44    45   0.30150 -1.0 2.0
   43    39    44    46   0.30150 -1.0 2.0
   43    49    52    53   3.62500 -1.0 2.0
   43    49    52    56   3.62500 -1.0 2.0
   49    43    62    59   3.62500 -1.0 2.0
   49    43    62    63   3.62500 -1.0 2.0
   49    52   -56    59   3.62500 -1.0 2.0
   49    52    56    61   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    56   3.62500 -1.0 2.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    59    62   3.62500 -1.0 2.0
   52    56    61    64   1.63200 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   53    52    56    61   3.62500 -1.0 2.0
   56    59   -62    43   3.62500 -1.0 2.0
   56    59    62    63   3.62500 -1.0 2.0
   56    61    64    65   0.08050  1.0 3.0
   56    61    64    66   0.08050  1.0 3.0
   56    61    64    67   0.08050  1.0 3.0
   59    56    61    64   1.63200 -1.0 2.0
   60    59    62    43   3.62500 -1.0 2.0
   60    59    62    63   3.62500 -1.0 2.0
   62    43    49    50   3.62500 -1.0 2.0
   62    43   -49    52   3.62500 -1.0 2.0
   61    56    59    60   3.62500 -1.0 2.0
   61    56    59    62   3.62500 -1.0 2.0
   44    39    43    49   0.04300 -1.0 2.0
   44    39    43    62   0.04300 -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
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   51    48    47    41   1.10000 -1.0 2.0
   57    55    54    51   1.10000 -1.0 2.0
   54    58    57    38   1.10000 -1.0 2.0
   49    62    43    39   4.00000 -1.0 2.0
   52    50    49    43   1.10000 -1.0 2.0
   56    53    52    49   1.10000 -1.0 2.0
   59    61    56    52   4.00000 -1.0 2.0
   62    60    59    56   1.10000 -1.0 2.0
   59    63    62    43   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
