* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    209     390
    1     0 S   NP   _N1_     1    28.95164    93.40337   -20.05148
    2     1 S   H    _HN1     2     1.02959   103.14790    33.78976
    3     1 S   H    _H1_     3     1.02838    28.40742   135.47007
    4     1 S   H    _H2_     4     1.02784    83.02059   -73.43249
    5     1 S   CT   _CA1     5     1.50153   135.19739   171.92365
    6     5 S   HC   _HA1     6     1.09564   105.25561    41.88603
    7     5 S   CO3  _C1_     7     1.53882   112.16263   -78.43997
    8     7 S   O2Z  _O11     8     1.26437   115.08573   -45.88681
    9     7 S   O2Z  _O12     9     1.26217   114.98071   133.05984
   10     5 S   CT   _CB1    10     1.53069   107.39979   159.91001
   11    10 S   HC   HB11    11     1.09821   109.63396   -47.84438
   12    10 S   HC   HB12    12     1.09834   110.27515    68.74614
   13    10 S   CT   _CG1    13     1.53065   112.68811  -168.89060
   14    13 S   HC   HG11    14     1.09502   110.41133   -56.05626
   15    13 S   HC   HG12    15     1.09608   110.23713    62.96771
   16    13 S   C    _CD1    16     1.51844   111.68586  -177.09397
   17    16 S   O    _OE1    17     1.22785   122.94277   -19.39186
   18    16 S   N    _N2_    18     1.38566   112.05009   161.43312
   19    18 S   H    _HN2    19     1.01587   119.07328     1.37102
   20    18 S   CT1  _CA2    20     1.46316   123.33099  -176.05092
   21    20 S   HC   _HA2    21     1.09729   109.35455   -15.01282
   22    20 S   C    _C2_    22     1.53344   108.47960  -130.90757
   23    22 S   O    _O2_    23     1.23013   122.23974  -146.28884
   24    20 S   CT   _CB2    32     1.53566   111.15503   106.91461
   25    24 S   HC   HB21    33     1.09514   109.28717    56.68894
   26    24 S   HC   HB22    34     1.09500   110.83949   175.17225
   27    22 S   N    _N3_    24     1.38513   113.35464    41.15282
   28    27 S   H    _HN3    25     1.01532   118.89624    -0.63980
   29    24 S   S    _SG2    35     1.82664   111.48287   -65.12710
   30    27 S   CT   _CA3    26     1.45438   123.38547   175.15156
   31    30 S   HC   HA31    27     1.09529   109.15243    26.00801
   32    30 S   HC   HA32    28     1.09494   107.14378   142.98659
   33    29 S   CT   _C18    36     1.83232    99.67059   152.29819
   34    33 S   F    F1__    37     1.36243   109.77760   -45.62138
   35    33 S   F    F2__    38     1.36839   107.40246    66.95063
   36    30 S   CO3  _C3_    29     1.52923   113.16930   -97.41875
   37    36 S   O2Z  _O31    30     1.26399   115.42759   -44.52281
   38    36 S   O2Z  _O32    31     1.26360   114.97389   136.43372
   39    33 S   CA   _C14    39     1.51719   110.30976  -170.94868
   40    39 S   CA   _C13    40     1.41578   116.75214   -87.59152
   41    40 S   HA   _H12    41     1.09017   118.97098     0.64498
   42    40 S   CA   _C12    42     1.39961   122.57445  -178.91052
   43    42 S   CA   _C17    43     1.39329   116.91518    -1.30596
   44    43 S   CA   _C16    44     1.39465   122.83490     0.91279
   45    44 S   HA   _H13    45     1.08488   118.91501   179.06226
   46    43 S   SY   _S1_    53     1.79399   117.77837  -177.09364
   47    46 S   OY   _O33    54     1.46030   102.55771   135.24940
   48    46 S   OY   _O34    55     1.46029   101.66000  -104.96130
   49    39 S   CA   _C15    46     1.41113   125.19327    92.20188
   50    46 S   NM   _N5_    56     1.59513   105.62522    15.81620
   51    49 S   SY   _S2_    47     1.77949   121.65399    -0.30647
   52    51 S   OY   _O35    48     1.44817   107.72698   -49.35414
   53    51 S   OY   _O36    49     1.44866   106.36318    83.15964
   54    50 S   CT   _C11    57     1.46887   111.39612   -46.64784
   55    54 S   HC   _H3_    58     1.09931   111.64458   -56.61800
   56    51 S   NS   _N6_    50     1.70281   104.34925  -162.46685
   57    56 S   H    _H14    51     1.03134   115.88795   112.74337
   58    56 S   H    _H15    52     1.02596   116.32079  -110.88167
   59    42 S   NE   _N4_    59     1.38691   120.35598  -179.31101
   60    59 S   H    _H11    60     1.01345   117.89627    -7.50883
   61    54 S   CT   _C10    61     1.54684   109.54312  -176.05866
   62    61 S   HC   _H9_    62     1.09922   110.43262   -55.11427
   63    61 S   HC   _H10    63     1.09918   109.89267  -170.59203
   64    61 S   CA   _C7_    64     1.51166   113.63743    68.78931
   65    64 S   CA   _C6_    65     1.40137   120.58942  -103.46328
   66    65 S   HA   _H6_    66     1.08717   120.35966    -0.12667
   67    65 S   CA   _C5_    67     1.39587   120.44055   179.58788
   68    67 S   HA   _H5_    68     1.08620   119.91595  -179.90513
   69    67 S   CA   _C4_    69     1.39370   120.08550    -0.04846
   70    69 S   HA   _H4_    70     1.08607   120.02500  -179.92338
   71    69 S   CA   _C9_    71     1.39362   119.94533    -0.05234
   72    71 S   HA   _H8_    72     1.08618   120.00343  -179.85196
   73    64 S   CA   _C8_    73     1.40187   120.40302    75.95861
   74    73 S   HA   _H7_    74     1.08719   120.27730     0.31837
  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   6   5   4   3
   9   4   3   2   1   1  12  10   4  13  11  11   3   8   3   2
   6   8   5   4   3   9   6   2   1   1   5   1   9   4   3   9
   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    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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    49    51  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    51    52    53    56    59  
   41    42    43    44    49    51    46    54    59    60  
   42    43    49    59  
   43    44    45    49    46    47    48    50    54    55    59    60    61  
   44    45    49    51    46    47    48    50    54    59    60  
   45    49    51    52    53    56    46    47    48    50    59  
   49    51    46  
   47    48    50    54    55    59    61    49  
   48    50    54  
   50    54  
   51    52    53    56    57    58  
   54    55    59    60    61    62    63    64  
   52    53    56    57    58  
   53    56    57    58  
   56    57    58  
   55    59    60    61    62    63    64    65    73  
   59    60    61    62    63    64  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61  
   62    63    64    65    66    67    71    73    74  
   63    64    65    73  
   64    65    73  
   65    66    67    68    69    71    72    73    74  
   66    67    68    69    70    71    73    74  
   67    68    69    73  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74  
   71    72    73  
   72    73    74  
   73    74  
   74  
    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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   47   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   50   3.4200   0.1700  -1.076600   1.9310   1.7100   0.005000000   0.000000000
   51   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   52   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   54   4.2000   0.3000   0.558100   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150  -0.153700   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.767800   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   58   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    59   481.000  1.340
   43    44   469.000  1.400
   43    46   225.000  1.779
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    51   225.000  1.779
   51    52   735.000  1.471
   51    53   735.000  1.471
   51    56   245.000  1.722
   56    57   500.000  1.020
   56    58   500.000  1.020
   46    47   735.000  1.471
   46    48   735.000  1.471
   46    50   350.000  1.613
   50    54   320.000  1.444
   54    55   340.000  1.090
   54    59   382.000  1.448
   54    61   268.000  1.529
   59    60   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   469.000  1.400
   64    73   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    44    63.00000  120.00000
   39    49    51    65.00000  117.06700
   40    42    43    63.00000  120.00000
   40    42    59    70.00000  120.10000
   42    40    41    35.00000  120.00000
   42    43    44    63.00000  120.00000
   42    43    46    65.00000  117.06700
   42    59    54    50.00000  120.00000
   42    59    60    35.00000  113.50000
   43    44    45    35.00000  120.00000
   43    44    49    63.00000  120.00000
   43    46    47   100.00000  107.67100
   43    46    48   100.00000  107.67100
   43    46    50   105.00000   98.50000
   44    49    51    65.00000  117.06700
   49    39    40    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    51    52   100.00000  107.67100
   49    51    53   100.00000  107.67100
   49    51    56    95.00000  101.59200
   51    56    57    50.00000  110.93800
   51    56    58    50.00000  110.93800
   53    51    52   115.00000  120.17200
   56    51    52   115.00000  107.22500
   56    51    53   115.00000  107.22500
   58    56    57    35.00000  109.80100
   46    43    44    65.00000  117.06700
   46    50    54    80.00000  116.74600
   48    46    47   115.00000  120.17200
   50    46    47   105.00000  114.79700
   50    46    48   105.00000  114.79700
   50    54    55    45.00000  113.03500
   50    54    59    85.00000  107.56000
   50    54    61    80.00000  110.21000
   54    59    60    35.00000  112.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    70.00000  112.17500
   59    42    43    70.00000  120.10000
   59    54    55    35.00000  109.50000
   61    54    55    37.50000  110.70000
   61    54    59    80.00000  111.61500
   61    64    65    70.00000  120.00000
   61    64    73    70.00000  120.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    73    71    63.00000  120.00000
   64    73    74    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   73    64    65    63.00000  120.00000
   73    71    72    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  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    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    44   3.62500 -1.0 2.0
   33    39    49    51   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    59   3.62500 -1.0 2.0
   39    49    51    52   0.19500  1.0 1.0
   39    49    51    52   0.12000 -1.0 2.0
   39    49    51    53   0.19500  1.0 1.0
   39    49    51    53   0.12000 -1.0 2.0
   39    49    51    56  -0.49050  1.0 1.0
   39    49    51    56   0.22250 -1.0 2.0
   39    49    51    56  -0.39350  1.0 3.0
   40    39    49    44   3.62500 -1.0 2.0
   40    39    49    51   3.62500 -1.0 2.0
   40    42   -43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    59    54  -1.00000  1.0 1.0
   40    42    59    54   1.25000 -1.0 2.0
   40    42    59    60   1.00000 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    59   3.62500 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43    46    47   0.19500  1.0 1.0
   42    43    46    47   0.12000 -1.0 2.0
   42    43    46    48   0.19500  1.0 1.0
   42    43    46    48   0.12000 -1.0 2.0
   42    43    46    50  -0.49050  1.0 1.0
   42    43    46    50   0.22250 -1.0 2.0
   42    43    46    50  -0.39350  1.0 3.0
   43    42    59    54  -1.00000  1.0 1.0
   43    42    59    54   1.25000 -1.0 2.0
   43    42    59    60   1.00000 -1.0 2.0
   43    44   -49    39   3.62500 -1.0 2.0
   43    44    49    51   3.62500 -1.0 2.0
   43    46   -50    54  -0.64500  1.0 1.0
   43    46   -50    54  -1.19050 -1.0 2.0
   43    46   -50    54  -0.04400  1.0 3.0
   44    43    46    47   0.19500  1.0 1.0
   44    43    46    47   0.12000 -1.0 2.0
   44    43    46    48   0.19500  1.0 1.0
   44    43    46    48   0.12000 -1.0 2.0
   44    43    46    50  -0.49050  1.0 1.0
   44    43    46    50   0.22250 -1.0 2.0
   44    43    46    50  -0.39350  1.0 3.0
   44    49    51    52   0.19500  1.0 1.0
   44    49    51    52   0.12000 -1.0 2.0
   44    49    51    53   0.19500  1.0 1.0
   44    49    51    53   0.12000 -1.0 2.0
   44    49    51    56  -0.49050  1.0 1.0
   44    49    51    56   0.22250 -1.0 2.0
   44    49    51    56  -0.39350  1.0 3.0
   45    44    49    39   3.62500 -1.0 2.0
   45    44    49    51   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   49    51    56    57   1.01100  1.0 1.0
   49    51    56    57  -0.22250 -1.0 2.0
   49    51    56    57   1.33750  1.0 3.0
   49    51    56    58   1.01100  1.0 1.0
   49    51    56    58  -0.22250 -1.0 2.0
   49    51    56    58   1.33750  1.0 3.0
   52    51    56    57   1.12100  1.0 1.0
   52    51    56    57   0.54800 -1.0 2.0
   52    51    56    57  -0.29400  1.0 3.0
   52    51    56    58   1.12100  1.0 1.0
   52    51    56    58   0.54800 -1.0 2.0
   52    51    56    58  -0.29400  1.0 3.0
   53    51    56    57   1.12100  1.0 1.0
   53    51    56    57   0.54800 -1.0 2.0
   53    51    56    57  -0.29400  1.0 3.0
   53    51    56    58   1.12100  1.0 1.0
   53    51    56    58   0.54800 -1.0 2.0
   53    51    56    58  -0.29400  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    49   3.62500 -1.0 2.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    59   0.00000  1.0 1.0
   46    50    54    61  -0.71500  1.0 1.0
   46    50    54    61  -0.42400 -1.0 2.0
   46    50    54    61   0.18500  1.0 3.0
   47    46    50    54  -0.30400  1.0 1.0
   47    46    50    54   0.50450 -1.0 2.0
   47    46    50    54   0.65550  1.0 3.0
   48    46    50    54  -0.30400  1.0 1.0
   48    46    50    54   0.50450 -1.0 2.0
   48    46    50    54   0.65550  1.0 3.0
   50    54   -59    42  -0.12500  1.0 1.0
   50    54   -59    42  -0.12500 -1.0 2.0
   50    54   -59    42   0.25000  1.0 3.0
   50    54    59    60  -0.12500  1.0 1.0
   50    54    59    60  -0.12500 -1.0 2.0
   50    54    59    60   0.25000  1.0 3.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    63   0.15000  1.0 3.0
   50    54    61    64   0.56750  1.0 1.0
   50    54    61    64  -0.07550 -1.0 2.0
   50    54    61    64   0.20000  1.0 3.0
   54    61    64    65   0.04150 -1.0 2.0
   54    61    64    73   0.04150 -1.0 2.0
   55    54    59    42   0.00000  1.0 1.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.43200  1.0 3.0
   59    42    43    44   3.62500 -1.0 2.0
   59    42   -43    46   3.62500 -1.0 2.0
   59    54    61    62   0.22950  1.0 3.0
   59    54    61    63   0.22950  1.0 3.0
   59    54    61    64   0.08550  1.0 1.0
   59    54    61    64   1.07500 -1.0 2.0
   59    54    61    64  -0.10950  1.0 3.0
   61    54    59    42  -0.12500  1.0 1.0
   61    54    59    42  -0.12500 -1.0 2.0
   61    54    59    42   0.25000  1.0 3.0
   61    54    59    60   0.00000  1.0 1.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64    65    67   3.62500 -1.0 2.0
   61    64    73    71   3.62500 -1.0 2.0
   61    64    73    74   3.62500 -1.0 2.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    73   0.00000  1.0 1.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    73   0.00000  1.0 1.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   65    64    73    71   3.62500 -1.0 2.0
   65    64    73    74   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67   -69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71   -73    64   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   72    71    73    64   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    64    65    66   3.62500 -1.0 2.0
   73    64   -65    67   3.62500 -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
   37    30    36    38  10.50000 -1.0 2.0
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    59    42    40   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   44    51    49    39   4.00000 -1.0 2.0
   58    51    56    57   1.00000 -1.0 2.0
   60    42    59    54   1.00000 -1.0 2.0
   65    73    64    61   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    64   1.10000 -1.0 2.0
END
