* LIGAND DATABASE FILE (OPLS2005)
*
001      64    66    117    188     344
    1     0 S   NP   _N1_     1    28.30002    99.62825   -22.15585
    2     1 S   H    _HN1     2     1.02836    55.51714   161.99016
    3     1 S   H    _H1_     3     1.02776   102.84863   -94.97472
    4     1 S   H    _H2_     4     1.02957    55.94096     8.63272
    5     1 S   CT   _CA1     5     1.50139   144.90998    85.30559
    6     5 S   HC   _HA1     6     1.09575   105.20078   118.25607
    7     5 S   CO3  _C1_     7     1.53768   112.33204    -1.90228
    8     7 S   O2Z  _O11     8     1.26365   114.99223   -44.43531
    9     7 S   O2Z  _O12     9     1.26230   114.92081   134.57029
   10     5 S   CT   _CB1    10     1.53088   107.41340  -123.87150
   11    10 S   HC   HB11    11     1.09829   109.28169   -50.57780
   12    10 S   HC   HB12    12     1.09815   110.45059    65.95590
   13    10 S   CT   _CG1    13     1.53036   112.70562  -171.64393
   14    13 S   HC   HG11    14     1.09592   110.52051   -65.26638
   15    13 S   HC   HG12    15     1.09659   109.89495    53.94993
   16    13 S   C    _CD1    16     1.51853   112.24956   174.28310
   17    16 S   O    _OE1    17     1.22763   123.26688     2.03317
   18    16 S   N    _N2_    18     1.38571   111.79084  -177.98132
   19    18 S   H    _HN2    19     1.01570   119.02412     4.15082
   20    18 S   CT1  _CA2    20     1.45789   122.78876   177.21329
   21    20 S   HC   _HA2    21     1.09741   108.91941    23.77990
   22    20 S   C    _C2_    22     1.52946   107.20041   -93.11368
   23    22 S   O    _O2_    23     1.22954   123.12794   -25.38951
   24    20 S   CT   _CB2    32     1.53115   112.28154   146.90417
   25    24 S   HC   HB21    33     1.09573   110.42772    53.20652
   26    24 S   HC   HB22    34     1.09497   110.16718   172.22302
   27    22 S   N    _N3_    24     1.38506   112.43228   157.34696
   28    27 S   H    _HN3    25     1.01646   120.32956    -2.51310
   29    24 S   S    _SG2    35     1.82484   111.20125   -67.64622
   30    27 S   CT   _CA3    26     1.45352   122.62868   178.39416
   31    30 S   HC   HA31    27     1.09562   107.95565   -53.13020
   32    30 S   HC   HA32    28     1.09555   107.51768    63.27037
   33    29 S   CT   _C16    36     1.85494    99.18816  -176.45254
   34    33 S   HC   _H3_    37     1.09760   108.79746    -0.46013
   35    30 S   CO3  _C3_    29     1.52919   114.18492  -175.06295
   36    35 S   O2Z  _O31    30     1.26358   116.01370     1.26671
   37    35 S   O2Z  _O32    31     1.26424   114.43459  -178.80384
   38    33 S   CM   _C15    38     1.51983   107.15103  -118.37755
   39    38 S   Br   Br1_    39     1.88884   113.84800    87.55564
   40    38 S   CMA  _C14    40     1.35844   123.49916   -95.37400
   41    40 S   OM   _O34    41     1.26278   130.17301  -177.09755
   42    40 S   CM   _C13    42     1.48732   116.91708     1.89445
   43    42 S   Br   Br2_    43     1.89545   121.85920   160.43322
   44    42 S   CM   _C12    44     1.34847   120.73247   -19.67287
   45    44 S   HC   _H8_    45     1.08746   120.03856  -177.17243
   46    33 S   CT   _C11    46     1.55705   113.13147   118.41709
   47    46 S   CT   _C10    47     1.55371   113.20935   -47.01111
   48    47 S   HC   _H6_    48     1.09444   113.29106   101.00986
   49    47 S   HC   _H7_    49     1.09494   112.43163   -24.01853
   50    46 S   OS   _O33    59     1.46825   107.36843  -164.33637
   51    47 S   CA   _C9_    50     1.48242   100.38279  -138.41546
   52    51 S   CA   _C4_    51     1.38452   129.13466  -169.02079
   53    52 S   HA   _H4_    52     1.08582   120.40724     2.95559
   54    52 S   CA   _C5_    53     1.40343   118.69190  -176.72422
   55    54 S   CA   _C6_    54     1.41139   119.69401    -0.25641
   56    55 S   HA   _H5_    55     1.08811   119.29494  -179.28646
   57    54 S   CT   _C17    60     1.50202   120.21339  -178.75510
   58    57 S   HC   _H9_    61     1.09537   110.77648  -148.48598
   59    57 S   HC   _H10    62     1.09534   110.91730   -28.68968
   60    55 S   CA   _C7_    56     1.39757   120.61265     0.74913
   61    60 S   Br   Br3_    57     1.88748   120.06816   179.65113
   62    57 S   OH   _O35    63     1.41904   108.95032    91.41076
   63    62 S   HO   _H11    64     0.97223   107.04086   179.85196
   64    51 S   CA   _C8_    58     1.38334   109.59724    14.13681
  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
  15   7   2   1   1   9   4   6   3   6   3   8   3   8   9   5
   4   6   8  10   4  10   8   4   5   3   2   2   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    48    49    51    64    50  
   38    39    40    44    46    47    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    50  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    50  
   44    45    46  
   45    46    47    48    49    51    64    50  
   46    47    50  
   47    48    49    51    52    60    64    50  
   48    49    51    52    53    54    60    64    50  
   49    51    52    64    50  
   51    52    64    50  
   51    52    55    60    61    64  
   52    53    54    55    60    61    64    57  
   53    54    55    56    60    64    57    58    59    62  
   54    55    64    57  
   55    56    60    61    64    57    58    59    62    63  
   56    60    61    64    57    58    59    62  
   60    61    64    57  
   58    59    62    63    60  
   59    62    63  
   62    63  
   61    64  
   64  
   63  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.421700   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.421700   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   44   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   62   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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    46   268.000  1.529
   38    39   165.000  1.979
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   165.000  1.979
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   268.000  1.529
   46    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   317.000  1.510
   51    52   469.000  1.400
   51    64   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   300.000  1.903
   60    64   469.000  1.400
   64    50   450.000  1.364
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   320.000  1.410
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  111.14000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    58.35000  112.70000
   33    46    50    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    65.00000  115.01300
   40    42    43    65.00000  115.01300
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    65.00000  115.01300
   44    46    47    70.00000  112.02700
   44    46    50    85.00000  110.90400
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    51    70.00000  112.17500
   46    50    64    75.00000  111.00000
   47    51    52    70.00000  120.00000
   47    51    64    70.00000  120.00000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    64    60    63.00000  120.00000
   51    64    50    70.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    57    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    90.00000  112.51600
   55    60    61    75.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    50    70.00000  120.00000
   64    51    52    63.00000  120.00000
   64    60    61    75.00000  120.00000
   50    46    47    50.00000  109.50000
   57    54    55    70.00000  120.00000
   57    62    63    55.00000  108.50000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.44750  1.0 1.0
   29    33    46    47  -0.17800 -1.0 2.0
   29    33    46    47   0.20200  1.0 3.0
   29    33    46    50   0.56750  1.0 1.0
   29    33    46    50  -0.07550 -1.0 2.0
   29    33    46    50   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    48   0.15000  1.0 3.0
   33    46    47    49   0.15000  1.0 3.0
   33    46    47    51  -0.03700  1.0 1.0
   33    46    47    51   0.37200 -1.0 2.0
   33    46    47    51  -0.47300  1.0 3.0
   33    46    50    64  -0.32850  1.0 1.0
   33    46    50    64  -0.35800 -1.0 2.0
   33    46    50    64   0.33950  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    50   0.23400  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.34400  1.0 1.0
   38    33    46    47   0.09450 -1.0 2.0
   38    33    46    47   0.11100  1.0 3.0
   38    33    46    50   0.61850  1.0 1.0
   38    33    46    50  -0.22750 -1.0 2.0
   38    33    46    50   0.15300  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   0.09850  1.0 1.0
   42    44    46    47   0.15250 -1.0 2.0
   42    44    46    47  -0.50650  1.0 3.0
   42    44    46    50   0.39000  1.0 1.0
   42    44    46    50  -0.05800 -1.0 2.0
   42    44    46    50  -0.55150  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    49   0.15000  1.0 3.0
   44    46    47    51   0.21200  1.0 1.0
   44    46    47    51   0.16900 -1.0 2.0
   44    46    47    51  -1.15100  1.0 3.0
   44    46    50    64  -0.25600  1.0 1.0
   44    46    50    64  -0.40050 -1.0 2.0
   44    46    50    64   0.34700  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   46    33    38    39   0.09700  1.0 1.0
   46    33    38    39   0.15600 -1.0 2.0
   46    33    38    39  -0.50800  1.0 3.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   0.04150 -1.0 2.0
   46    47   -51    64   0.04150 -1.0 2.0
   47    46   -50    64  -0.32850  1.0 1.0
   47    46   -50    64  -0.35800 -1.0 2.0
   47    46   -50    64   0.33950  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    54   3.62500 -1.0 2.0
   47    51    64    60   3.62500 -1.0 2.0
   47    51   -64    50   3.62500 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    64   0.00000  1.0 1.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    64   0.00000  1.0 1.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    57   3.62500 -1.0 2.0
   51    64   -50    46   1.63200 -1.0 2.0
   52    51    64    60   3.62500 -1.0 2.0
   52    51    64    50   3.62500 -1.0 2.0
   52    54    55    56   3.62500 -1.0 2.0
   52    54   -55    60   3.62500 -1.0 2.0
   52    54    57    58   0.00000  1.0 1.0
   52    54    57    59   0.00000  1.0 1.0
   52    54    57    62   0.14300 -1.0 2.0
   52    54    57    62   0.00300  1.0 3.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    57   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55    60    64   3.62500 -1.0 2.0
   54    57    62    63   0.31900  1.0 1.0
   54    57    62    63  -0.11800 -1.0 2.0
   54    57    62    63   0.38750  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62   0.14300 -1.0 2.0
   55    54    57    62   0.00300  1.0 3.0
   55    60   -64    51   3.62500 -1.0 2.0
   55    60    64    50   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64    50    46   1.63200 -1.0 2.0
   61    60    64    51   3.62500 -1.0 2.0
   61    60    64    50   3.62500 -1.0 2.0
   64    51    52    53   3.62500 -1.0 2.0
   64    51   -52    54   3.62500 -1.0 2.0
   50    46    47    48   0.23400  1.0 3.0
   50    46    47    49   0.23400  1.0 3.0
   50    46   -47    51  -0.64350  1.0 1.0
   50    46   -47    51  -0.04200 -1.0 2.0
   50    46   -47    51   0.19800  1.0 3.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   58    57    62    63   0.19450  1.0 3.0
   59    57    62    63   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   52    64    51    47   4.00000 -1.0 2.0
   54    53    52    51   1.10000 -1.0 2.0
   55    57    54    52   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   64    61    60    55   4.00000 -1.0 2.0
   60    50    64    51   4.00000 -1.0 2.0
END
