* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    133    205     389
    1     0 S   NP   _N1_     1    29.02539    93.69045   -24.02280
    2     1 S   H    _HN1     2     1.02811    21.79071  -174.19667
    3     1 S   H    _H1_     3     1.02782   109.41607   -84.33402
    4     1 S   H    _H2_     4     1.03069    86.27190    23.40864
    5     1 S   CT   _CA1     5     1.50196   126.42069   136.53244
    6     5 S   HC   _HA1     6     1.09595   104.96678    78.52561
    7     5 S   CO3  _C1_     7     1.53875   113.01571   -41.13748
    8     7 S   O2Z  _O11     8     1.26385   115.29844   -37.65709
    9     7 S   O2Z  _O12     9     1.26277   114.86501   141.41190
   10     5 S   CT   _CB1    10     1.53066   107.25570  -163.96865
   11    10 S   HC   HB11    11     1.09814   108.99481   -50.40632
   12    10 S   HC   HB12    12     1.09821   110.43884    65.97664
   13    10 S   CT   _CG1    13     1.53059   112.92789  -171.70646
   14    13 S   HC   HG11    14     1.09594   110.19367   -67.62062
   15    13 S   HC   HG12    15     1.09643   110.19118    51.61845
   16    13 S   C    _CD1    16     1.51831   112.26724   171.50719
   17    16 S   O    _OE1    17     1.22697   123.15228   -10.37223
   18    16 S   N    _N2_    18     1.38629   111.89905   170.71388
   19    18 S   H    _HN2    19     1.01567   119.13460     1.18531
   20    18 S   CT1  _CA2    20     1.46135   123.16079  -179.21991
   21    20 S   HC   _HA2    21     1.09538   109.29775    -7.94638
   22    20 S   C    _C2_    22     1.53414   108.75911  -123.01601
   23    22 S   O    _O2_    23     1.23032   122.17658  -146.44543
   24    20 S   CT   _CB2    32     1.53372   111.60679   114.51654
   25    24 S   HC   HB21    33     1.09683   109.30334    61.02893
   26    24 S   HC   HB22    34     1.09481   111.19387   177.80492
   27    22 S   N    _N3_    24     1.38496   113.46557    41.10635
   28    27 S   H    _HN3    25     1.01521   118.92894    -0.69069
   29    24 S   S    _SG2    35     1.83049   114.69049   -58.06156
   30    27 S   CT   _CA3    26     1.45421   123.34764   174.88638
   31    30 S   HC   HA31    27     1.09527   109.22318    26.11432
   32    30 S   HC   HA32    28     1.09497   107.17697   143.08670
   33    29 S   CT   _C11    36     1.84756   101.10638   -68.57715
   34    33 S   HC   _H3_    37     1.09389   105.94506    53.11487
   35    30 S   CO3  _C3_    29     1.52896   112.90961   -97.32125
   36    35 S   O2Z  _O31    30     1.26409   115.28036   -49.63692
   37    35 S   O2Z  _O32    31     1.26333   115.08462   131.23907
   38    33 S   CA   _C7_    38     1.51881   112.15541   -66.25765
   39    33 S   CM   _C12    54     1.51571   107.93679   169.20541
   40    39 S   HC   _H11    55     1.08767   115.61903    47.25827
   41    38 S   CA   _C8_    39     1.40341   121.92959   -64.10220
   42    41 S   HA   _H8_    40     1.08726   120.56023    -0.26244
   43    39 S   CMA  _C13    56     1.35337   125.40414  -131.65161
   44    43 S   OM   _O36    57     1.25942   129.98594    -3.24667
   45    41 S   CA   _C9_    41     1.39394   120.60123   179.67857
   46    45 S   HA   _H9_    42     1.08613   119.32143   179.97202
   47    43 S   NE   _N4_    58     1.38254   122.45655   176.43613
   48    47 S   H    _H12    59     1.01572   112.69497   176.39995
   49    45 S   CA   _C10    43     1.39438   119.71007    -0.12820
   50    47 S   CT   _C14    60     1.44930   129.72355    -6.79668
   51    50 S   HC   _H13    61     1.09549   108.84544    93.51134
   52    50 S   HC   _H14    62     1.09518   111.46601   -24.78039
   53    49 S   CA   _C5_    44     1.39886   121.08715     0.05595
   54    49 S   OH   _O34    52     1.37045   119.79782  -179.84677
   55    54 S   HO   _H10    53     0.97197   108.72698    -0.39167
   56    50 S   CT   _C15    63     1.53345   110.46192  -146.33040
   57    56 S   HC   _H15    64     1.09726   109.39004  -175.00244
   58    56 S   HC   _H16    65     1.09750   109.71444   -58.96117
   59    38 S   CA   _C6_    45     1.40849   119.29560   115.70616
   60    59 S   HA   _H7_    46     1.08670   118.10802     0.53413
   61    53 S   OS   _O33    47     1.37073   116.14494  -179.80021
   62    56 S   CA   _C16    66     1.51182   113.04553    64.18456
   63    61 S   CT   _C4_    48     1.42268   117.07479   177.04143
   64    63 S   HC   _H4_    49     1.09428   107.73216  -178.15390
   65    63 S   HC   _H5_    50     1.09492   111.07932    64.17607
   66    63 S   HC   _H6_    51     1.09517   111.21789   -60.40017
   67    62 S   CA   _C17    67     1.40247   120.42531  -111.77235
   68    67 S   HA   _H17    68     1.08714   120.38684    -0.76310
   69    67 S   CA   _C18    69     1.39571   120.53396   178.54263
   70    69 S   HA   _H18    70     1.08599   119.83451  -179.65452
   71    69 S   CA   _C19    71     1.39103   119.58645    -0.24787
   72    71 S   CA   _C20    72     1.39232   120.79146     0.52786
   73    72 S   HA   _H19    73     1.08618   120.95597  -179.97202
   74    71 S   OH   _O35    76     1.36657   118.28850  -179.20058
   75    74 S   HO   _H21    77     0.97731   108.13887   173.17631
   76    62 S   CA   _C21    74     1.40298   120.57448    67.11939
   77    76 S   HA   _H20    75     1.08717   120.31971     1.15589
  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   8   5   4   3
  13   6   2   1   1  12   8   3   8   4   7   3   7   3   8   4
   7   8   5   4   9   3   1   9   4   3   3   1   4   9   3   2
   1   1   8   4   7   3   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    49    53    59    60    61    39    40    43  
   40    43    44    47    48    50    41    59  
   43    44    47  
   42    45    46    49    53    59    60    54  
   45    46    49    59  
   44    47    48    50    51    52    56  
   47    48    50  
   46    49    53    59    61    54    55  
   49    53    54  
   48    50    51    52    56    57    58    62  
   50    51    52    56  
   53    59    60    61    63    54    55  
   51    52    56    57    58    62    67    76  
   52    56    57    58    62  
   56    57    58    62  
   59    60    61    63    64    65    66    54    55  
   55    59    61  
    0  
   57    58    62    67    68    69    72    76    77  
   58    62    67    76  
   62    67    76  
   60    61    63  
   61  
   63    64    65    66  
   67    68    69    70    71    72    73    76    77  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    76    77    74  
   69    70    71    76  
   70    71    72    73    76    74    75  
   71    72    74  
   72    73    76    77    74    75  
   73    76    77    74    75  
   76    77    74  
   75    76  
    0  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    53   469.000  1.400
   49    54   450.000  1.364
   53    59   469.000  1.400
   53    61   450.000  1.364
   59    60   367.000  1.080
   61    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   54    55   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    48   434.000  1.010
   47    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   317.000  1.510
   62    67   469.000  1.400
   62    76   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   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   367.000  1.080
   74    75   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    53    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    53    63.00000  120.00000
   45    49    54    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    59    63.00000  120.00000
   49    53    61    70.00000  120.00000
   49    54    55    35.00000  113.00000
   53    59    60    35.00000  120.00000
   53    61    63    75.00000  111.00000
   59    38    41    63.00000  120.00000
   61    53    59    70.00000  120.00000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   54    49    53    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    48    50.00000  121.48000
   43    47    50    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    56    80.00000  111.61500
   50    47    48    35.00000  112.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    62    70.00000  112.17500
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    62    67    70.00000  120.00000
   56    62    76    70.00000  120.00000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   62    67    68    35.00000  120.00000
   62    67    69    63.00000  120.00000
   62    76    72    63.00000  120.00000
   62    76    77    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    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   72    76    77    35.00000  120.00000
   76    62    67    63.00000  120.00000
   76    72    73    35.00000  120.00000
   74    71    72    70.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    53   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   41    38    59    53   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45   -49    53   3.62500 -1.0 2.0
   41    45    49    54   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    53    59   3.62500 -1.0 2.0
   45    49    53    61   3.62500 -1.0 2.0
   45    49    54    55   0.84100 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    53   -59    38   3.62500 -1.0 2.0
   49    53    59    60   3.62500 -1.0 2.0
   49    53    61    63   1.63200 -1.0 2.0
   53    49    54    55   0.84100 -1.0 2.0
   53    61    63    64   0.08050  1.0 3.0
   53    61    63    65   0.08050  1.0 3.0
   53    61    63    66   0.08050  1.0 3.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    53    61    63   1.63200 -1.0 2.0
   61    53    59    38   3.62500 -1.0 2.0
   61    53    59    60   3.62500 -1.0 2.0
   54    49    53    59   3.62500 -1.0 2.0
   54    49    53    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    48   1.00000 -1.0 2.0
   39    43    47    50  -0.54700  1.0 1.0
   39    43    47    50   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    52   0.00000  1.0 1.0
   43    47    50    56   0.25450  1.0 1.0
   43    47    50    56  -0.61700 -1.0 2.0
   43    47    50    56  -0.23550  1.0 3.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    50   1.00000 -1.0 2.0
   47    50    56    57   0.22950  1.0 3.0
   47    50    56    58   0.22950  1.0 3.0
   47    50    56    62   0.08550  1.0 1.0
   47    50    56    62   1.07500 -1.0 2.0
   47    50    56    62  -0.10950  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    56   0.00000  1.0 1.0
   50    56    62    67   0.04150 -1.0 2.0
   50    56    62    76   0.04150 -1.0 2.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    62   0.43200  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    62   0.43200  1.0 3.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62    67    69   3.62500 -1.0 2.0
   56    62    76    72   3.62500 -1.0 2.0
   56    62    76    77   3.62500 -1.0 2.0
   57    56    62    67   0.00000  1.0 1.0
   57    56    62    76   0.00000  1.0 1.0
   58    56    62    67   0.00000  1.0 1.0
   58    56    62    76   0.00000  1.0 1.0
   62    67    69    70   3.62500 -1.0 2.0
   62    67    69    71   3.62500 -1.0 2.0
   67    62    76    72   3.62500 -1.0 2.0
   67    62    76    77   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   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    72    73   3.62500 -1.0 2.0
   69    71    72    76   3.62500 -1.0 2.0
   69    71    74    75   0.84100 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72   -76    62   3.62500 -1.0 2.0
   71    72    76    77   3.62500 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   73    72    76    62   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   76    62    67    68   3.62500 -1.0 2.0
   76    62   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   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
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   53    54    49    45   4.00000 -1.0 2.0
   59    61    53    49   4.00000 -1.0 2.0
   53    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   48    43    47    50   1.00000 -1.0 2.0
   67    76    62    56   4.00000 -1.0 2.0
   69    68    67    62   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   72    77    76    62   1.10000 -1.0 2.0
END
