* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    119    176     349
    1     0 S   NP   _N1_     1    30.67814    89.07055   -20.42944
    2     1 S   H    _HN1     2     1.02998   111.99986    95.18295
    3     1 S   H    _H1_     3     1.02792    26.99886    10.79054
    4     1 S   H    _H2_     4     1.03044   126.84262   -40.01068
    5     1 S   CT   _CA1     5     1.50073    85.07915  -154.52393
    6     5 S   HC   _HA1     6     1.09561   105.27888    63.89631
    7     5 S   CO3  _C1_     7     1.53688   112.59257   -56.65745
    8     7 S   O2Z  _O11     8     1.26368   115.04290   -44.21077
    9     7 S   O2Z  _O12     9     1.26238   114.93861   135.09028
   10     5 S   CT   _CB1    10     1.52899   107.37297  -178.18727
   11    10 S   HC   HB11    11     1.09739   109.27205   -51.35093
   12    10 S   HC   HB12    12     1.09811   110.36078    64.80361
   13    10 S   CT   _CG1    13     1.53102   113.23545  -172.21465
   14    13 S   HC   HG11    14     1.09541   111.27233   -70.57090
   15    13 S   HC   HG12    15     1.09583   110.94781    49.23661
   16    13 S   C    _CD1    16     1.51340   109.19750   168.29639
   17    16 S   O    _OE1    17     1.22860   121.77509   -97.61552
   18    16 S   N    _N2_    18     1.38290   112.90134    79.15469
   19    18 S   H    _HN2    19     1.01570   119.44249     9.56727
   20    18 S   CT1  _CA2    20     1.45582   122.56406  -171.80221
   21    20 S   HC   _HA2    21     1.09668   108.41986    25.07232
   22    20 S   C    _C2_    22     1.52865   107.92482   -91.98137
   23    22 S   O    _O2_    23     1.22929   122.91924   -26.34013
   24    20 S   CT   _CB2    32     1.53380   112.53060   147.21681
   25    24 S   HC   HB21    33     1.09665   109.76796    72.92383
   26    24 S   HC   HB22    34     1.09582   110.42599  -170.25295
   27    22 S   N    _N3_    24     1.38622   112.33736   156.53151
   28    27 S   H    _HN3    25     1.01484   119.76483     0.80794
   29    24 S   S    _SG2    35     1.82986   115.40609   -46.82985
   30    27 S   CT   _CA3    26     1.45458   122.86173   175.19446
   31    30 S   HC   HA31    27     1.09535   108.99918    29.47871
   32    30 S   HC   HA32    28     1.09479   107.16516   146.64194
   33    29 S   CT   _C9_    36     1.82762   100.63768   -56.69216
   34    33 S   HC   _H11    37     1.09425   108.02322   -58.68711
   35    33 S   HC   _H12    38     1.09295   108.84661    60.31862
   36    30 S   CO3  _C3_    29     1.53057   113.54187   -93.54906
   37    36 S   O2Z  _O31    30     1.26379   115.79165   -31.08665
   38    36 S   O2Z  _O32    31     1.26407   114.69707   149.78015
   39    33 S   CT   _C8_    39     1.53313   109.74621   179.88986
   40    39 S   HC   _H6_    40     1.09601   110.76640   -46.45747
   41    39 S   CT   _C7_    41     1.53326   112.29583  -171.18847
   42    41 S   HC   _H5_    42     1.09518   115.15324    32.01110
   43    41 S   CT   _C6_    43     1.51747   101.70756   -89.72419
   44    43 S   HC   _H4_    44     1.09676   109.99859    78.72023
   45    41 S   OS   _O34    54     1.44659   108.94722   155.54441
   46    43 S   CT   _C5_    45     1.51877   101.58342   -38.59875
   47    46 S   HC   _H3_    46     1.09710   111.16768   -81.33045
   48    43 S   OH   _O36    52     1.41301   113.54500  -159.17457
   49    48 S   HO   _H18    53     0.97239   107.60628   -57.54398
   50    45 S   CO4  _C10    55     1.36601   116.77503   -84.17222
   51    50 S   O    _O35    56     1.22446   125.30157    -3.91352
   52    39 S   OS   _O33    47     1.44820   108.86573    71.71147
   53    46 S   CT   _C4_    48     1.51813   113.35055   155.75000
   54    53 S   HC   _H8_    49     1.09555   111.01922   -60.08438
   55    53 S   HC   _H9_    50     1.09523   110.28804  -177.92529
   56    53 S   HC   _H10    51     1.09394   111.34227    61.31775
   57    50 S   CT1  _C11    57     1.52229   109.58006   176.35992
   58    57 S   HC   _H7_    58     1.09685   107.19322    58.15303
   59    57 S   CT   _C12    59     1.53456   112.32406   -61.71924
   60    59 S   HC   _H13    60     1.09534   110.26924    59.97105
   61    59 S   HC   _H14    61     1.09571   110.04360   177.83003
   62    57 S   NT   _N4_    64     1.46829   108.74631   174.04395
   63    62 S   H    _H16    65     1.02012   109.40074   -62.43913
   64    62 S   H    _H17    66     1.01977   109.47038  -178.32906
   65    59 S   SH   _S1_    62     1.82455   114.22161   -60.86302
   66    65 S   HS   _H15    63     1.34126    96.49201   179.37756
  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   7   5   4   3
  10   5   4   2   1   1  12   6  13   7  12   7   9   8   6   3
   1  10   4   4   3   2   1   1   9   7   7   4   3   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    52    53    48    45    50  
   41    42    43    46    52    45  
   42    43    44    46    47    52    53    48    49    45    50    51    57  
   43    44    46    52    48    45    50  
   44    46    47    52    53    54    55    56    48    49    45    50  
   46    47    52    53    48    49    45  
   50    51    57    58    59    62    46    48    52  
   47    52    53    54    55    56    48    49  
   52    53    54    55    56    48  
   49    52    53  
    0  
   51    57    58    59    60    61    65    62    63    64  
   57    58    59    62  
   53    54    55    56  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    65    66    62    63    64  
   59    60    61    65    62    63    64  
   60    61    65    66    62    63    64  
   61    65    66    62  
   65    66    62  
   63    64    65  
   64  
    0  
   66  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   66   0.5000   0.0300   0.155000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    52   320.000  1.410
   46    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   48    49   553.000  0.945
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    57   255.000  1.522
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   305.000  1.457
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   222.000  1.810
   65    66   274.000  1.336
   62    63   434.000  1.010
   62    64   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    45    50    83.00000  116.90000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    52    50.00000  109.50000
   43    46    53    58.35000  112.70000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    46    47    35.00000  109.50000
   53    46    47    37.50000  110.70000
   53    46    52    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    57    90.00000  109.72300
   50    57    58    45.00000  110.09800
   50    57    59    70.00000  110.61500
   50    57    62    75.00000  112.91400
   57    50    51    75.00000  123.42600
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    65    50.00000  108.60000
   57    62    63    50.00000  111.55300
   57    62    64    50.00000  111.55300
   59    57    58    37.50000  110.70000
   59    65    66    44.00000   96.00000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   62    57    58    50.00000  109.55000
   62    57    59    80.00000  111.22000
   64    62    63    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    52    46   0.06250  1.0 1.0
   33    39    52    46  -0.01100 -1.0 2.0
   33    39    52    46   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   0.56750  1.0 1.0
   39    41   -43    46  -0.07550 -1.0 2.0
   39    41   -43    46   0.20000  1.0 3.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50  -0.25900  1.0 1.0
   39    41    45    50  -0.47000 -1.0 2.0
   39    41    45    50   0.11750  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    46   0.37050  1.0 3.0
   41    39   -52    46   0.06250  1.0 1.0
   41    39   -52    46  -0.01100 -1.0 2.0
   41    39   -52    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43   -46    52   0.62750  1.0 1.0
   41    43   -46    52  -0.30950 -1.0 2.0
   41    43   -46    52   0.27300  1.0 3.0
   41    43    46    53   0.56750  1.0 1.0
   41    43    46    53  -0.07550 -1.0 2.0
   41    43    46    53   0.20000  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   3.00000 -1.0 2.0
   41    45    50    57   1.63150  1.0 1.0
   41    45    50    57   2.92000 -1.0 2.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.08050  1.0 3.0
   43    41    45    50  -0.25900  1.0 1.0
   43    41    45    50  -0.47000 -1.0 2.0
   43    41    45    50   0.11750  1.0 3.0
   43    46   -52    39   0.06250  1.0 1.0
   43    46   -52    39  -0.01100 -1.0 2.0
   43    46   -52    39   0.28050  1.0 3.0
   43    46    53    54   0.15000  1.0 3.0
   43    46    53    55   0.15000  1.0 3.0
   43    46    53    56   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    52   0.23400  1.0 3.0
   44    43    46    53   0.15000  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   47    46    52    39   0.37050  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   1.11900  1.0 1.0
   52    39    41    45  -1.16350 -1.0 2.0
   52    39    41    45  -0.34150  1.0 3.0
   52    46    53    54   0.23400  1.0 3.0
   52    46    53    55   0.23400  1.0 3.0
   52    46    53    56   0.23400  1.0 3.0
   53    46    52    39   0.06250  1.0 1.0
   53    46    52    39  -0.01100 -1.0 2.0
   53    46    52    39   0.28050  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    52   3.69350  1.0 1.0
   48    43    46    52  -1.82950 -1.0 2.0
   48    43    46    53   0.86500  1.0 1.0
   48    43    46    53  -0.17500 -1.0 2.0
   48    43    46    53   0.20800  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    50    57    58   0.00000  1.0 1.0
   45    50    57    59   0.36750  1.0 3.0
   45    50    57    62   0.40000  1.0 3.0
   50    57    59    60  -0.03800  1.0 3.0
   50    57    59    61  -0.03800  1.0 3.0
   50    57    59    65  -2.17200  1.0 1.0
   50    57    59    65  -0.85700 -1.0 2.0
   50    57    62    63   0.21900  1.0 1.0
   50    57    62    63  -0.24900 -1.0 2.0
   50    57    62    63   0.15200  1.0 3.0
   50    57    62    64   0.21900  1.0 1.0
   50    57    62    64  -0.24900 -1.0 2.0
   50    57    62    64   0.15200  1.0 3.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    59   0.00000  1.0 1.0
   51    50    57    62   0.30150 -1.0 2.0
   57    59    65    66  -0.37950  1.0 1.0
   57    59    65    66  -0.14100 -1.0 2.0
   57    59    65    66   0.30150  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    65   0.22600  1.0 3.0
   58    57    62    63   0.20000  1.0 3.0
   58    57    62    64   0.20000  1.0 3.0
   59    57    62    63  -0.05950  1.0 1.0
   59    57    62    63   0.08850 -1.0 2.0
   59    57    62    63   0.11750  1.0 3.0
   59    57    62    64  -0.05950  1.0 1.0
   59    57    62    64   0.08850 -1.0 2.0
   59    57    62    64   0.11750  1.0 3.0
   60    59    65    66   0.22550  1.0 3.0
   61    59    65    66   0.22550  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    65   0.56750  1.0 1.0
   62    57    59    65  -0.07550 -1.0 2.0
   62    57    59    65   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   45    57    50    51  10.50000 -1.0 2.0
END
