* LIGAND DATABASE FILE (OPLS2005)
*
001      57    59    110    185     327
    1     0 S   NP   _N1_     1    29.05349    94.84556   -20.95201
    2     1 S   H    _HN1     2     1.02774    93.09747   -77.77216
    3     1 S   H    _H1_     3     1.02941    83.84785    30.45337
    4     1 S   H    _H2_     4     1.02827    33.79565   163.93072
    5     1 S   CT   _CA1     5     1.50218   143.54498   146.75402
    6     5 S   HC   _HA1     6     1.09586   105.00264    69.38677
    7     5 S   CO3  _C1_     7     1.53914   112.65644   -50.11653
    8     7 S   O2Z  _O11     8     1.26420   115.13251   -32.54224
    9     7 S   O2Z  _O12     9     1.26254   115.05371   146.51356
   10     5 S   CT   _CB1    10     1.53190   107.29404  -172.92848
   11    10 S   HC   HB11    11     1.09820   109.24583   -48.92927
   12    10 S   HC   HB12    12     1.09786   110.38605    67.59183
   13    10 S   CT   _CG1    13     1.52933   112.79293  -169.97870
   14    13 S   HC   HG11    14     1.09508   110.32843   -67.19050
   15    13 S   HC   HG12    15     1.09677   109.86778    51.80539
   16    13 S   C    _CD1    16     1.51950   112.74464   172.06595
   17    16 S   O    _OE1    17     1.22685   123.46496     0.55813
   18    16 S   N    _N2_    18     1.38605   111.41722  -179.19667
   19    18 S   H    _HN2    19     1.01636   118.64310    -0.10653
   20    18 S   CT1  _CA2    20     1.46175   124.00510   176.62420
   21    20 S   HC   _HA2    21     1.09736   109.40165    -5.74331
   22    20 S   C    _C2_    22     1.53523   107.97327  -120.87727
   23    22 S   O    _O2_    23     1.23027   122.44683  -147.04542
   24    20 S   CT   _CB2    32     1.53452   111.54848   116.85260
   25    24 S   HC   HB21    33     1.09206   110.20866    52.93594
   26    24 S   HC   HB22    34     1.09541   110.22405   170.56204
   27    22 S   N    _N3_    24     1.38387   113.48640    40.48001
   28    27 S   H    _HN3    25     1.01625   119.53042    -3.68238
   29    24 S   S    _SG2    35     1.82851   111.34499   -72.02432
   30    27 S   CT   _CA3    26     1.45285   123.15175   177.00193
   31    30 S   HC   HA31    27     1.09552   107.54991   -63.24695
   32    30 S   HC   HA32    28     1.09558   107.92414    53.16607
   33    29 S   CT   _C13    36     1.86729   103.21109   131.24370
   34    33 S   Cl   Cl1_    37     1.81312   107.75242    53.97355
   35    30 S   CO3  _C3_    29     1.52942   114.11544   175.11950
   36    35 S   O2Z  _O31    30     1.26368   116.06052    -0.95797
   37    35 S   O2Z  _O32    31     1.26431   114.41517   179.08700
   38    33 S   CT   _C9_    38     1.58077   112.40597   178.37418
   39    38 S   Cl   Cl5_    39     1.75600   115.80996   -60.55709
   40    38 S   CM   _C10    40     1.51652    99.77015   174.38479
   41    40 S   Cl   Cl4_    41     1.69330   124.71781   146.12431
   42    40 S   CM   _C11    42     1.33685   107.17430   -36.60952
   43    42 S   Cl   Cl3_    43     1.69450   127.57251  -177.67898
   44    33 S   CT   _C12    44     1.57699   118.43768   -78.02650
   45    44 S   Cl   Cl2_    45     1.75311   116.67190    67.27822
   46    44 S   CT   _C7_    46     1.56808   101.48122   -56.66352
   47    46 S   HC   _H4_    47     1.09716   109.94761    75.91156
   48    38 S   CT   _C8_    48     1.56859   102.25982    63.74375
   49    48 S   HC   _H5_    49     1.09670   112.15734   -82.98574
   50    48 S   CM   _C4_    50     1.49605   118.16084   148.63398
   51    50 S   HC   _H6_    51     1.08105   123.66214    65.39369
   52    50 S   CM   _C5_    52     1.33723   112.17189  -115.28676
   53    52 S   HC   _H7_    53     1.08125   123.69807  -179.32623
   54    46 S   CT   _C6_    54     1.53459   118.43416  -156.87021
   55    54 S   HC   _H3_    55     1.09278   113.19354   -13.20107
   56    54 S   OH   _O33    56     1.42028   108.74170  -134.44657
   57    56 S   HO   _H8_    57     0.97362   108.12548   168.08989
  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
  15   8   2   1   1  15   8   9   4   7   3  10   4  11   7   8
   4   6   3   5   3   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    44    45    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    49    50    54  
   38    39    40    42    44    45    46    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    48    49    50    51    52    54  
   40    41    42    44    46    48    49    50  
   41    42    43    44    45    46    48    49    50  
   42    43    44    48  
   43    44    45    46    47    48    54  
   44    45    46  
   45    46    47    48    49    50    52    54    55    56  
   46    47    48    54  
   47    48    49    50    51    52    53    54    55    56    57  
   48    49    50    52    54    55    56  
   49    50    51    52    53    54    55    56  
   50    51    52    54  
   51    52    53    54    55    56  
   52    53    54  
   53    54    55    56    57  
   54    55    56  
   55    56    57  
   56    57  
   57  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   42   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   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    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   245.000  1.781
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   245.000  1.781
   38    40   317.000  1.510
   38    48   268.000  1.529
   40    41   300.000  1.725
   40    42   549.000  1.340
   42    43   300.000  1.725
   42    44   317.000  1.510
   44    45   245.000  1.781
   44    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    54   268.000  1.529
   48    49   340.000  1.090
   48    50   317.000  1.510
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   340.000  1.080
   52    54   317.000  1.510
   54    55   340.000  1.090
   54    56   320.000  1.410
   56    57   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    85.00000  110.65400
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    70.00000  112.02700
   33    38    48    58.35000  112.70000
   33    44    42    70.00000  112.02700
   33    44    45    69.00000  109.80000
   33    44    46    58.35000  112.70000
   38    33    34    69.00000  109.80000
   38    40    41    75.00000  111.02000
   38    40    42    70.00000  124.00000
   38    48    46    58.35000  112.70000
   38    48    49    37.50000  110.70000
   38    48    50    70.00000  112.02700
   40    38    39    75.00000  111.90500
   40    42    43    75.00000  121.50000
   40    42    44    70.00000  124.00000
   42    40    41    75.00000  121.50000
   42    44    45    75.00000  111.90500
   42    44    46    70.00000  112.02700
   44    33    34    69.00000  109.80000
   44    33    38    58.35000  112.70000
   44    42    43    75.00000  111.02000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    54    58.35000  112.70000
   46    44    45    69.00000  109.80000
   46    48    49    37.50000  110.70000
   46    48    50    70.00000  112.02700
   46    54    52    70.00000  112.02700
   46    54    55    37.50000  110.70000
   46    54    56    50.00000  109.50000
   48    38    39    69.00000  109.80000
   48    38    40    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    50    51    35.00000  117.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  109.50000
   50    52    53    35.00000  120.00000
   50    52    54    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    90.00000  110.39200
   54    46    47    37.50000  110.70000
   54    46    48    58.35000  112.70000
   54    52    53    35.00000  117.00000
   54    56    57    55.00000  108.50000
   56    54    55    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    48   0.44750  1.0 1.0
   29    33    38    48  -0.17800 -1.0 2.0
   29    33    38    48   0.20200  1.0 3.0
   29    33    44    42   0.56750  1.0 1.0
   29    33    44    42  -0.07550 -1.0 2.0
   29    33    44    42   0.20000  1.0 3.0
   29    33    44    45   0.56750  1.0 1.0
   29    33    44    45  -0.07550 -1.0 2.0
   29    33    44    45   0.20000  1.0 3.0
   29    33    44    46   0.44750  1.0 1.0
   29    33    44    46  -0.17800 -1.0 2.0
   29    33    44    46   0.20200  1.0 3.0
   33    38    40    41   0.09700  1.0 1.0
   33    38    40    41   0.15600 -1.0 2.0
   33    38    40    41  -0.50800  1.0 3.0
   33    38   -40    42   0.09850  1.0 1.0
   33    38   -40    42   0.15250 -1.0 2.0
   33    38   -40    42  -0.50650  1.0 3.0
   33    38   -48    46   0.56750  1.0 1.0
   33    38   -48    46  -0.07550 -1.0 2.0
   33    38   -48    46   0.20000  1.0 3.0
   33    38    48    49   0.15000  1.0 3.0
   33    38    48    50   0.34400  1.0 1.0
   33    38    48    50   0.09450 -1.0 2.0
   33    38    48    50   0.11100  1.0 3.0
   33    44    46    47   0.15000  1.0 3.0
   33    44   -46    48   0.56750  1.0 1.0
   33    44   -46    48  -0.07550 -1.0 2.0
   33    44   -46    48   0.20000  1.0 3.0
   33    44    46    54   0.56750  1.0 1.0
   33    44    46    54  -0.07550 -1.0 2.0
   33    44    46    54   0.20000  1.0 3.0
   34    33    38    39   0.22500  1.0 1.0
   34    33    38    40   0.56750  1.0 1.0
   34    33    38    40  -0.07550 -1.0 2.0
   34    33    38    40   0.20000  1.0 3.0
   34    33    38    48   0.35600  1.0 1.0
   34    33    38    48  -0.14650 -1.0 2.0
   34    33    38    48   0.33350  1.0 3.0
   34    33    44    42   0.56750  1.0 1.0
   34    33    44    42  -0.07550 -1.0 2.0
   34    33    44    42   0.20000  1.0 3.0
   34    33    44    45   0.22500  1.0 1.0
   34    33    44    46   0.35600  1.0 1.0
   34    33    44    46  -0.14650 -1.0 2.0
   34    33    44    46   0.33350  1.0 3.0
   38    33   -44    42   0.34400  1.0 1.0
   38    33   -44    42   0.09450 -1.0 2.0
   38    33   -44    42   0.11100  1.0 3.0
   38    33    44    45   0.35600  1.0 1.0
   38    33    44    45  -0.14650 -1.0 2.0
   38    33    44    45   0.33350  1.0 3.0
   38    33   -44    46   0.56750  1.0 1.0
   38    33   -44    46  -0.07550 -1.0 2.0
   38    33   -44    46   0.20000  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   38    48    50    51   0.00000  1.0 1.0
   38    48    50    52   0.09850  1.0 1.0
   38    48    50    52   0.15250 -1.0 2.0
   38    48    50    52  -0.50650  1.0 3.0
   39    38    40    41   0.09700  1.0 1.0
   39    38    40    41   0.15600 -1.0 2.0
   39    38    40    41  -0.50800  1.0 3.0
   39    38    40    42   0.09700  1.0 1.0
   39    38    40    42   0.15600 -1.0 2.0
   39    38    40    42  -0.50800  1.0 3.0
   39    38    48    46   0.35600  1.0 1.0
   39    38    48    46  -0.14650 -1.0 2.0
   39    38    48    46   0.33350  1.0 3.0
   39    38    48    49   0.27000  1.0 3.0
   39    38    48    50   0.56750  1.0 1.0
   39    38    48    50  -0.07550 -1.0 2.0
   39    38    48    50   0.20000  1.0 3.0
   40    38    48    46   0.34400  1.0 1.0
   40    38    48    46   0.09450 -1.0 2.0
   40    38    48    46   0.11100  1.0 3.0
   40    38    48    49   0.15000  1.0 3.0
   40    38    48    50   0.31000  1.0 1.0
   40    38    48    50   0.14700 -1.0 2.0
   40    38    48    50   0.07550  1.0 3.0
   40    42   -44    33   0.09850  1.0 1.0
   40    42   -44    33   0.15250 -1.0 2.0
   40    42   -44    33  -0.50650  1.0 3.0
   40    42    44    45   0.09700  1.0 1.0
   40    42    44    45   0.15600 -1.0 2.0
   40    42    44    45  -0.50800  1.0 3.0
   40    42   -44    46   0.09850  1.0 1.0
   40    42   -44    46   0.15250 -1.0 2.0
   40    42   -44    46  -0.50650  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    48   0.34400  1.0 1.0
   42    44    46    48   0.09450 -1.0 2.0
   42    44    46    48   0.11100  1.0 3.0
   42    44    46    54   0.34400  1.0 1.0
   42    44    46    54   0.09450 -1.0 2.0
   42    44    46    54   0.11100  1.0 3.0
   43    42    44    33   0.09700  1.0 1.0
   43    42    44    33   0.15600 -1.0 2.0
   43    42    44    33  -0.50800  1.0 3.0
   43    42    44    45   0.09700  1.0 1.0
   43    42    44    45   0.15600 -1.0 2.0
   43    42    44    45  -0.50800  1.0 3.0
   43    42    44    46   0.09700  1.0 1.0
   43    42    44    46   0.15600 -1.0 2.0
   43    42    44    46  -0.50800  1.0 3.0
   44    33    38    39   0.35600  1.0 1.0
   44    33    38    39  -0.14650 -1.0 2.0
   44    33    38    39   0.33350  1.0 3.0
   44    33   -38    40   0.34400  1.0 1.0
   44    33   -38    40   0.09450 -1.0 2.0
   44    33   -38    40   0.11100  1.0 3.0
   44    33   -38    48   0.56750  1.0 1.0
   44    33   -38    48  -0.07550 -1.0 2.0
   44    33   -38    48   0.20000  1.0 3.0
   44    46   -48    38   0.56750  1.0 1.0
   44    46   -48    38  -0.07550 -1.0 2.0
   44    46   -48    38   0.20000  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.34400  1.0 1.0
   44    46    48    50   0.09450 -1.0 2.0
   44    46    48    50   0.11100  1.0 3.0
   44    46    54    52   0.34400  1.0 1.0
   44    46    54    52   0.09450 -1.0 2.0
   44    46    54    52   0.11100  1.0 3.0
   44    46    54    55   0.15000  1.0 3.0
   44    46    54    56   0.86500  1.0 1.0
   44    46    54    56  -0.17500 -1.0 2.0
   44    46    54    56   0.20800  1.0 3.0
   45    44    46    47   0.27000  1.0 3.0
   45    44    46    48   0.35600  1.0 1.0
   45    44    46    48  -0.14650 -1.0 2.0
   45    44    46    48   0.33350  1.0 3.0
   45    44    46    54   0.35600  1.0 1.0
   45    44    46    54  -0.14650 -1.0 2.0
   45    44    46    54   0.33350  1.0 3.0
   46    48    50    51   0.00000  1.0 1.0
   46    48   -50    52   0.09850  1.0 1.0
   46    48   -50    52   0.15250 -1.0 2.0
   46    48   -50    52  -0.50650  1.0 3.0
   46    54    56    57  -0.11600  1.0 1.0
   46    54    56    57  -0.09450 -1.0 2.0
   46    54    56    57   0.21250  1.0 3.0
   47    46    48    38   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    54    52   0.15000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.23400  1.0 3.0
   48    38    40    41   0.09700  1.0 1.0
   48    38    40    41   0.15600 -1.0 2.0
   48    38    40    41  -0.50800  1.0 3.0
   48    38   -40    42   0.09850  1.0 1.0
   48    38   -40    42   0.15250 -1.0 2.0
   48    38   -40    42  -0.50650  1.0 3.0
   48    46   -54    52   0.34400  1.0 1.0
   48    46   -54    52   0.09450 -1.0 2.0
   48    46   -54    52   0.11100  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.86500  1.0 1.0
   48    46    54    56  -0.17500 -1.0 2.0
   48    46    54    56   0.20800  1.0 3.0
   48    50    52    53   7.00000 -1.0 2.0
   48    50   -52    54   7.00000 -1.0 2.0
   49    48    50    51   0.33100  1.0 3.0
   49    48    50    52   0.00000  1.0 1.0
   50    52   -54    46   0.09850  1.0 1.0
   50    52   -54    46   0.15250 -1.0 2.0
   50    52   -54    46  -0.50650  1.0 3.0
   50    52    54    55   0.00000  1.0 1.0
   50    52    54    56   0.67800  1.0 1.0
   50    52    54    56   0.47050 -1.0 2.0
   50    52    54    56  -0.62500  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   52    54    56    57  -0.07800  1.0 1.0
   52    54    56    57  -0.21500 -1.0 2.0
   52    54    56    57  -0.03150  1.0 3.0
   53    52    54    46   0.00000  1.0 1.0
   53    52    54    55   0.33100  1.0 3.0
   53    52    54    56   0.00000  1.0 1.0
   54    46    48    38   0.56750  1.0 1.0
   54    46    48    38  -0.07550 -1.0 2.0
   54    46    48    38   0.20000  1.0 3.0
   54    46    48    49   0.15000  1.0 3.0
   54    46   -48    50   0.34400  1.0 1.0
   54    46   -48    50   0.09450 -1.0 2.0
   54    46   -48    50   0.11100  1.0 3.0
   55    54    56    57   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
   38    41    40    42   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   48    51    50    52   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
END
