* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    135    214     395
    1     0 S   NP   _N1_     1    28.99732    93.83415   -19.25310
    2     1 S   H    _HN1     2     1.02815    84.19241   -75.66963
    3     1 S   H    _H1_     3     1.03001    95.78744    31.86966
    4     1 S   H    _H2_     4     1.02801    31.38277   144.94786
    5     1 S   CT   _CA1     5     1.50199   141.09158   164.94452
    6     5 S   HC   _HA1     6     1.09561   105.18880    47.25424
    7     5 S   CO3  _C1_     7     1.53768   112.50950   -72.89074
    8     7 S   O2Z  _O11     8     1.26381   115.03656   -37.29516
    9     7 S   O2Z  _O12     9     1.26255   114.94418   141.79467
   10     5 S   CT   _CB1    10     1.53036   107.38663   165.20760
   11    10 S   HC   HB11    11     1.09795   109.04174   -49.26462
   12    10 S   HC   HB12    12     1.09715   110.13401    67.30563
   13    10 S   CT   _CG1    13     1.53072   113.36447  -170.87652
   14    13 S   HC   HG11    14     1.09583   110.25369   -67.64595
   15    13 S   HC   HG12    15     1.09635   110.18781    51.64561
   16    13 S   C    _CD1    16     1.51971   112.09823   171.44308
   17    16 S   O    _OE1    17     1.22745   123.17873   -10.45173
   18    16 S   N    _N2_    18     1.38634   112.07613   170.84440
   19    18 S   H    _HN2    19     1.01580   119.16419     0.36957
   20    18 S   CT1  _CA2    20     1.46182   123.05160   178.64491
   21    20 S   HC   _HA2    21     1.09556   109.22783    -6.57393
   22    20 S   C    _C2_    22     1.53511   108.76595  -121.58494
   23    22 S   O    _O2_    23     1.23040   122.07217  -148.05493
   24    20 S   CT   _CB2    32     1.53413   111.96535   115.83134
   25    24 S   HC   HB21    33     1.09678   109.28440    61.77977
   26    24 S   HC   HB22    34     1.09445   111.06037   178.58667
   27    22 S   N    _N3_    24     1.38465   113.56238    39.50738
   28    27 S   H    _HN3    25     1.01508   118.94408    -0.79402
   29    24 S   S    _SG2    35     1.82869   114.72022   -57.37187
   30    27 S   CT   _CA3    26     1.45450   123.48945   174.79143
   31    30 S   HC   HA31    27     1.09519   109.28422    23.77259
   32    30 S   HC   HA32    28     1.09495   107.12247   140.80965
   33    29 S   CT   _C19    36     1.84234   101.22121   -69.80588
   34    33 S   HC   _H3_    37     1.09447   108.79225    46.89915
   35    30 S   CO3  _C3_    29     1.52926   113.03763   -99.71438
   36    35 S   O2Z  _O31    30     1.26408   115.38533   -44.60061
   37    35 S   O2Z  _O32    31     1.26348   114.99243   136.27886
   38    33 S   CHZ  _C14    38     1.52877   106.46220   163.07241
   39    38 S   CM   _C15    39     1.49610   117.08829    85.20249
   40    39 S   HC   _H13    40     1.08308   118.17085  -166.77511
   41    38 S   NI   _N7_    50     1.29727   115.29264   -92.72577
   42    39 S   CM   _C16    41     1.33978   121.83018    11.93406
   43    41 S   NE   _N6_    51     1.34493   119.52670   177.20397
   44    43 S   H    _H12    52     1.01123   122.80098     1.40347
   45    42 S   CO4  _C17    42     1.48677   121.07088     3.17946
   46    45 S   O    _O35    43     1.22922   121.15199  -172.39509
   47    42 S   CO3  _C20    47     1.53318   117.74298  -178.96297
   48    47 S   O2Z  _O37    48     1.26510   115.57708    47.47447
   49    47 S   O2Z  _O36    49     1.26427   115.23668  -131.81371
   50    43 S   CA   _C11    53     1.40571   119.22655  -170.59153
   51    33 S   CT   _C18    44     1.51961   113.26728   -74.86875
   52    51 S   HC   _H14    45     1.09741   109.92699   171.65847
   53    51 S   HC   _H15    46     1.09472   111.38400    53.10251
   54    50 S   CA   _C10    54     1.40464   122.25801   -14.74625
   55    54 S   HA   _H9_    55     1.08747   120.47316    -3.95037
   56    54 S   CA   _C9_    56     1.39588   121.22888   175.15815
   57    56 S   HA   _H8_    57     1.08495   118.88246  -178.87465
   58    56 S   CA   _C8_    58     1.39095   119.11842    -0.60974
   59    58 S   CA   _C13    59     1.39418   121.04069     2.24402
   60    59 S   HA   _H11    60     1.08609   121.21010   179.82868
   61    58 S   SY   _S1_    63     1.79781   120.34297  -175.57349
   62    61 S   OY   _O33    64     1.46057   102.35768  -132.05244
   63    61 S   OY   _O34    65     1.46077   103.43574   -12.82403
   64    50 S   CA   _C12    61     1.40421   119.34589   161.76739
   65    64 S   HA   _H10    62     1.08778   120.18681     3.10589
   66    61 S   NM   _N5_    66     1.59304   105.15307   107.08622
   67    66 S   CA   _C7_    67     1.35111   119.80709   175.47251
   68    67 S   CA   _C21    68     1.41239   118.92429   168.56506
   69    68 S   HA   _H16    69     1.08926   120.25937    -0.17471
   70    68 S   CA   _C4_    70     1.39379   120.91997  -180.00000
   71    70 S   HA   _H4_    71     1.08618   120.05287   179.83929
   72    70 S   CA   _C5_    72     1.38570   119.64952    -0.23323
   73    72 S   HA   _H5_    73     1.08469   120.76881  -179.91153
   74    72 S   CA   _C6_    74     1.38318   118.50010    -0.13706
   75    74 S   HA   _H6_    75     1.08202   123.50968  -179.63096
   76    67 S   NAP  _N4_    76     1.35495   124.88320   -11.99920
   77    76 S   H    _H7_    77     1.02060   118.10416    -0.69886
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  12  10   4   7   8   8   3   7   4   3   1
   1   9   2   1   1   8   4   9   3   9   7   3   7   3   2   1
   1   7   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    51    52    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    45    46    51    52    53    41    43  
   38    39    45    51    52    53    41  
   36    37  
   37  
    0  
   39    40    42    45    51    52    53    47    41    43    44    50  
   40    42    45    46    51    47    48    49    41    43  
   42    45    47    41  
   43    44    50    54    64    42    51  
   45    46    51    52    53    47    48    49  
   44    50    54    55    56    59    64    65  
   50    54    64  
   46    51    52    53    47    48    49  
   51    52    53    47  
   48    49    51  
   49  
    0  
   54    55    56    57    58    59    60    64    65  
   52    53  
   53  
    0  
   55    56    57    58    59    64    65    61  
   56    57    58    64  
   57    58    59    60    64    61    62    63    66  
   58    59    61  
   59    60    64    65    61    62    63    66    67  
   60    64    65    61    62    63    66  
   64    65    61  
   62    63    66    67    68    76    64  
   63    66    67  
   66    67  
   65  
    0  
   67    68    69    70    74    76    77  
   68    69    70    71    72    74    75    76    77  
   69    70    71    72    73    74    76    77  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76    77  
   74    75    76  
   75    76    77  
   76    77  
   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   0.155400   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   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   42   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.395200   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.2500   1.758100   2.0020   1.7750   0.025682759  -1.666211680
   62   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   63   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.4200   0.1700  -0.917200   1.9310   1.7100   0.005000000   0.000000000
   67   3.5500   0.0700   0.437800   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.132600   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.182700   1.3810   1.2100   0.030040813   0.268726247
   76   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   77   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   285.000  1.496
   33    51   268.000  1.529
   38    39   360.000  1.437
   38    41   645.000  1.280
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    45   320.000  1.462
   42    47   230.000  1.545
   45    46   570.000  1.229
   45    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   47    48   656.000  1.250
   47    49   656.000  1.250
   41    43   355.000  1.315
   43    44   434.000  1.010
   43    50   481.000  1.340
   50    54   469.000  1.400
   50    64   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   225.000  1.779
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   61    62   735.000  1.471
   61    63   735.000  1.471
   61    66   350.000  1.613
   66    67   515.000  1.335
   67    68   469.000  1.400
   67    76   485.000  1.342
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   485.000  1.342
   76    77   475.000  1.020
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  114.43000
   29    33    51    75.00000  111.63000
   33    38    39    55.00000  127.86000
   33    38    41    65.00000  122.16000
   33    51    45    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   38    33    34    45.00000  110.40700
   38    39    40    35.00000  118.70300
   38    39    42    70.00000  117.49700
   38    41    43    85.00000  114.46500
   39    42    45    65.00000  118.96000
   39    42    47    55.00000  124.75400
   42    39    40    35.00000  120.00000
   42    45    46    80.00000  123.72100
   42    45    51    65.00000  118.62400
   42    47    48    85.00000  113.83300
   42    47    49    85.00000  113.83300
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    75.00000  111.15500
   51    45    46    80.00000  120.40000
   53    51    52    33.00000  107.80000
   47    42    45    55.00000  123.68000
   49    47    48    80.00000  126.00000
   41    38    39    65.00000  123.49500
   41    43    44    50.00000  117.11400
   41    43    50    75.00000  120.05000
   43    50    54    70.00000  120.10000
   43    50    64    70.00000  120.10000
   50    43    44    35.00000  113.50000
   50    54    55    35.00000  120.00000
   50    54    56    63.00000  120.00000
   50    64    59    63.00000  120.00000
   50    64    65    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    65.00000  117.06700
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62   100.00000  107.67100
   58    61    63   100.00000  107.67100
   58    61    66   105.00000   98.50000
   59    64    65    35.00000  120.00000
   64    50    54    63.00000  120.00000
   64    59    60    35.00000  120.00000
   61    58    59    65.00000  117.06700
   61    66    67    75.00000  122.36500
   63    61    62   115.00000  120.17200
   66    61    62   105.00000  114.79700
   66    61    63   105.00000  114.79700
   66    67    68    65.00000  124.38400
   66    67    76    75.00000  123.00000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    76    74    70.00000  123.81700
   67    76    77    45.00000  117.56800
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    70.00000  119.29800
   74    72    73    35.00000  120.00000
   74    76    77    45.00000  117.56800
   76    67    68    70.00000  119.29800
   76    74    75    45.00000  112.84900
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.00000  1.0 1.0
   29    33    51    45   0.56750  1.0 1.0
   29    33    51    45  -0.07550 -1.0 2.0
   29    33    51    45   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42   0.69550 -1.0 2.0
   33    38    41    43   6.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    45  -0.11250  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    53   0.15000  1.0 3.0
   38    33    51    45  -0.98800  1.0 1.0
   38    33    51    45   0.48800 -1.0 2.0
   38    33    51    45   0.76800  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.15000  1.0 3.0
   38    39   -42    45   7.00000 -1.0 2.0
   38    39    42    47   7.00000 -1.0 2.0
   38    41    43    44   2.00000 -1.0 2.0
   38    41    43    50   2.00000 -1.0 2.0
   39    38    41    43   6.00000 -1.0 2.0
   39    42    45    46   1.00000 -1.0 2.0
   39    42    45    51  -0.33500  1.0 1.0
   39    42    45    51   1.06600 -1.0 2.0
   39    42    45    51  -0.14000  1.0 3.0
   39    42    47    48  -0.04000 -1.0 2.0
   39    42    47    48  -0.29050  1.0 3.0
   39    42    47    49  -0.04000 -1.0 2.0
   39    42    47    49  -0.29050  1.0 3.0
   40    39    42    45   7.00000 -1.0 2.0
   40    39    42    47   7.00000 -1.0 2.0
   42    45   -51    33   0.65300  1.0 1.0
   42    45   -51    33  -0.03850 -1.0 2.0
   42    45   -51    33   0.33900  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    53   0.00000  1.0 1.0
   45    42    47    48   1.68800 -1.0 2.0
   45    42    47    49   1.68800 -1.0 2.0
   46    45    51    33   0.30150 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.00000  1.0 1.0
   47    42    45    46   2.50000 -1.0 2.0
   47    42    45    51   1.50000 -1.0 2.0
   41    38    39    40   1.00600 -1.0 2.0
   41    38    39    42   1.09650  1.0 1.0
   41    38    39    42   0.48950 -1.0 2.0
   41    38    39    42   0.49400  1.0 3.0
   41    43    50    54   0.75000 -1.0 2.0
   41    43    50    64   0.75000 -1.0 2.0
   43    50    54    55   3.62500 -1.0 2.0
   43    50    54    56   3.62500 -1.0 2.0
   43    50    64    59   3.62500 -1.0 2.0
   43    50    64    65   3.62500 -1.0 2.0
   44    43    50    54   1.00000 -1.0 2.0
   44    43    50    64   1.00000 -1.0 2.0
   50    54    56    57   3.62500 -1.0 2.0
   50    54    56    58   3.62500 -1.0 2.0
   54    50    64    59   3.62500 -1.0 2.0
   54    50    64    65   3.62500 -1.0 2.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    56    58    61   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    64   3.62500 -1.0 2.0
   56    58    61    62   0.19500  1.0 1.0
   56    58    61    62   0.12000 -1.0 2.0
   56    58    61    63   0.19500  1.0 1.0
   56    58    61    63   0.12000 -1.0 2.0
   56    58    61    66  -0.49050  1.0 1.0
   56    58    61    66   0.22250 -1.0 2.0
   56    58    61    66  -0.39350  1.0 3.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59   -64    50   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    61    66    67  -0.64500  1.0 1.0
   58    61    66    67  -1.19050 -1.0 2.0
   58    61    66    67  -0.04400  1.0 3.0
   59    58    61    62   0.19500  1.0 1.0
   59    58    61    62   0.12000 -1.0 2.0
   59    58    61    63   0.19500  1.0 1.0
   59    58    61    63   0.12000 -1.0 2.0
   59    58    61    66  -0.49050  1.0 1.0
   59    58    61    66   0.22250 -1.0 2.0
   59    58    61    66  -0.39350  1.0 3.0
   60    59    64    50   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   64    50    54    55   3.62500 -1.0 2.0
   64    50   -54    56   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    67    68   1.50000 -1.0 2.0
   61    66    67    76   1.50000 -1.0 2.0
   62    61    66    67  -0.23550  1.0 1.0
   62    61    66    67   0.77000 -1.0 2.0
   62    61    66    67   0.47650  1.0 3.0
   63    61    66    67  -0.23550  1.0 1.0
   63    61    66    67   0.77000 -1.0 2.0
   63    61    66    67   0.47650  1.0 3.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    68    70   3.62500 -1.0 2.0
   66    67    76    74   3.62500 -1.0 2.0
   66    67    76    77   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    76    74   3.62500 -1.0 2.0
   68    67    76    77   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    67   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   75    74    76    67   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    67    68    69   3.62500 -1.0 2.0
   76    67   -68    70   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
   33    39    38    41  10.50000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   45    47    42    39   1.10000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   48    42    47    49  10.50000 -1.0 2.0
   44    50    43    41   1.00000 -1.0 2.0
   54    64    50    43   4.00000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   59    65    64    50   1.10000 -1.0 2.0
   68    76    67    66   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    67    76    74   1.00000 -1.0 2.0
END
