* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    133    206     389
    1     0 S   NP   _N1_     1    28.75970    94.38271   -22.63714
    2     1 S   H    _HN1     2     1.02964    85.92004    37.64618
    3     1 S   H    _H1_     3     1.02820    29.08373   174.88251
    4     1 S   H    _H2_     4     1.02780    96.95850   -70.31123
    5     1 S   CT   _CA1     5     1.50149   138.58023   154.10755
    6     5 S   HC   _HA1     6     1.09576   105.20427    69.79262
    7     5 S   CO3  _C1_     7     1.53786   112.47770   -50.34961
    8     7 S   O2Z  _O11     8     1.26363   115.02881   -41.28287
    9     7 S   O2Z  _O12     9     1.26247   114.94474   137.81385
   10     5 S   CT   _CB1    10     1.53047   107.33097  -172.33108
   11    10 S   HC   HB11    11     1.09834   109.24201   -50.63825
   12    10 S   HC   HB12    12     1.09824   110.40719    65.85108
   13    10 S   CT   _CG1    13     1.53005   112.80244  -171.77605
   14    13 S   HC   HG11    14     1.09585   110.47858   -65.32436
   15    13 S   HC   HG12    15     1.09654   110.01609    54.01074
   16    13 S   C    _CD1    16     1.51750   112.13899   174.23190
   17    16 S   O    _OE1    17     1.22667   123.20287    -1.07192
   18    16 S   N    _N2_    18     1.38522   111.81494   179.16047
   19    18 S   H    _HN2    19     1.01597   118.98617    -0.46225
   20    18 S   CT1  _CA2    20     1.46153   123.27836   178.93688
   21    20 S   HC   _HA2    21     1.09451   109.11083   -16.51555
   22    20 S   C    _C2_    22     1.53413   108.01404  -131.51162
   23    22 S   O    _O2_    23     1.22996   122.48696  -146.40590
   24    20 S   CT   _CB2    32     1.53326   111.71150   106.04082
   25    24 S   HC   HB21    33     1.09668   109.37124    55.91239
   26    24 S   HC   HB22    34     1.09409   111.41537   172.98412
   27    22 S   N    _N3_    24     1.38426   113.25997    40.98408
   28    27 S   H    _HN3    25     1.01654   119.31365    -4.14463
   29    24 S   S    _SG2    35     1.83084   113.99737   -63.18104
   30    27 S   CT   _CA3    26     1.45353   123.30136   178.85928
   31    30 S   HC   HA31    27     1.09500   108.20414   -49.62460
   32    30 S   HC   HA32    28     1.09540   107.44392    66.59389
   33    29 S   CT   _C17    36     1.85016   100.95186   -75.39391
   34    33 S   HC   _H3_    37     1.09146   105.84414    46.41792
   35    30 S   CO3  _C3_    29     1.52963   113.78468  -172.72716
   36    35 S   O2Z  _O31    30     1.26401   115.84249   -18.31295
   37    35 S   O2Z  _O32    31     1.26418   114.69653   161.71312
   38    33 S   CA   _C18    38     1.51831   111.21045   -72.68604
   39    33 S   CM   _C16    50     1.51570   108.59598   162.46696
   40    39 S   HC   _H15    51     1.09235   115.50622    32.47135
   41    38 S   CA   _C19    39     1.40560   119.59585   110.79403
   42    41 S   HA   _H16    40     1.08716   120.34963     0.09279
   43    39 S   CMA  _C15    52     1.35549   128.33247  -146.33886
   44    43 S   OM   _O37    53     1.26317   128.38287   179.26645
   45    41 S   CA   _C20    41     1.39536   120.81679  -179.69610
   46    45 S   HA   _H17    42     1.08616   119.87238   179.95154
   47    43 S   CT   _C14    54     1.52515   120.40260    -4.51935
   48    47 S   HC   _H13    55     1.09668   109.51604   -39.79689
   49    47 S   HC   _H14    56     1.10002   112.88227  -155.79448
   50    45 S   CA   _C21    43     1.39071   119.58536    -0.00000
   51    47 S   CO4  _C13    57     1.52712   112.68790    82.82030
   52    51 S   O    _O35    58     1.22866   122.95697    50.36037
   53    50 S   CA   _C22    44     1.39207   120.74184     0.05595
   54    53 S   HA   _H18    45     1.08598   121.01294   179.96044
   55    50 S   OH   _O36    48     1.36623   118.19343  -180.00000
   56    55 S   HO   _H20    49     0.97242   108.53109   179.83929
   57    51 S   CM   _C12    59     1.49333   115.63386  -130.51985
   58    57 S   HC   _H12    60     1.08334   116.76250   -13.89173
   59    38 S   CA   _C23    46     1.40540   121.87445   -68.79308
   60    59 S   HA   _H19    47     1.08757   120.44344    -0.24787
   61    57 S   CM   _C11    61     1.33998   120.45052   162.77932
   62    61 S   HC   _H11    62     1.08783   119.97954     3.29996
   63    61 S   CA   _C7_    63     1.47370   124.54631  -175.20429
   64    63 S   CA   _C8_    64     1.40114   118.49179  -157.85368
   65    64 S   HA   _H8_    65     1.08793   120.69775     2.18973
   66    64 S   CA   _C9_    66     1.39437   120.62586  -177.57553
   67    66 S   HA   _H9_    67     1.08634   119.41311   179.76761
   68    66 S   CA   _C10    68     1.39372   119.69966     0.58684
   69    68 S   CA   _C5_    69     1.39785   121.04411     0.03426
   70    68 S   OH   _O34    77     1.36983   119.81037   178.76330
   71    70 S   HO   _H10    78     0.97294   108.50769   -12.17910
   72    63 S   CA   _C6_    70     1.40720   122.60524    25.81544
   73    72 S   HA   _H7_    71     1.08515   119.00350    -1.51878
   74    69 S   OS   _O33    72     1.37069   116.13575   179.14225
   75    74 S   CT   _C4_    73     1.42236   117.18376  -174.23945
   76    75 S   HC   _H4_    74     1.09424   107.74739   177.11629
   77    75 S   HC   _H5_    75     1.09502   111.29247    59.32535
   78    75 S   HC   _H6_    76     1.09491   111.05847   -65.21261
  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   9   3   8   4   7   4   7   3   7   4
   3   6   6   3   5   3   2   1   6   3   1   1   8   3   9   8
   4   7   3   7   9   3   1   3   1   4   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    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    50    53    54    59    60    39    40    43  
   40    43    44    47    48    49    51    41    59  
   43    44    47  
   42    45    46    50    53    59    60    55  
   45    46    50    59  
   44    47    48    49    51    52    57  
   47    48    49    51  
   46    50    53    54    59    55    56  
   50    53    55  
   48    49    51    52    57    58    61  
   49    51    52    57  
   51    52    57  
   53    54    59    60    55    56  
   52    57    58    61    62    63  
   57    58    61  
   54    59    60    55    56  
   59    60    55  
   56    59  
    0  
   58    61    62    63    64    72  
   61    62    63  
   60  
    0  
   62    63    64    65    66    69    72    73  
   63    64    72  
   64    65    66    67    68    69    72    73    74  
   65    66    67    68    69    72    73    70  
   66    67    68    72  
   67    68    69    72    74    70    71  
   68    69    70  
   69    72    73    74    75    70    71  
   72    73    74    75    76    77    78    70    71  
   71    72    74  
    0  
   73    74    75  
   74  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    50   469.000  1.400
   50    53   469.000  1.400
   50    55   450.000  1.364
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   55    56   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   317.000  1.522
   51    52   570.000  1.229
   51    57   320.000  1.462
   57    58   340.000  1.080
   57    61   549.000  1.340
   61    62   340.000  1.080
   61    63   320.000  1.460
   63    64   469.000  1.400
   63    72   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    72   469.000  1.400
   69    74   450.000  1.364
   72    73   367.000  1.080
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   70    71   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    50    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    53    63.00000  120.00000
   45    50    55    70.00000  120.00000
   50    45    46    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    55    56    35.00000  113.00000
   53    59    60    35.00000  120.00000
   59    38    41    63.00000  120.00000
   59    53    54    35.00000  120.00000
   55    50    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    65.00000  122.18000
   43    39    40    40.00000  120.50800
   43    47    48    45.00000  110.52000
   43    47    49    45.00000  110.52000
   43    47    51    70.00000  109.06800
   47    43    44    85.00000  112.85300
   47    51    52    80.00000  120.40000
   47    51    57    65.00000  118.62400
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
   51    57    58    40.00000  117.72500
   51    57    61    65.00000  118.96000
   57    51    52    80.00000  123.72100
   57    61    62    35.00000  120.00000
   57    61    63    60.00000  123.20500
   61    57    58    35.00000  120.00000
   61    63    64    60.00000  120.93500
   61    63    72    60.00000  120.93500
   63    61    62    40.00000  117.26300
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    72    69    63.00000  120.00000
   63    72    73    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    70    70.00000  120.00000
   68    66    67    35.00000  120.00000
   68    69    72    63.00000  120.00000
   68    69    74    70.00000  120.00000
   68    70    71    35.00000  113.00000
   69    72    73    35.00000  120.00000
   69    74    75    75.00000  111.00000
   72    63    64    63.00000  120.00000
   74    69    72    70.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   70    68    69    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    50   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   -50    53   3.62500 -1.0 2.0
   41    45    50    55   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   45    50    53    54   3.62500 -1.0 2.0
   45    50    53    59   3.62500 -1.0 2.0
   45    50    55    56   0.84100 -1.0 2.0
   46    45    50    53   3.62500 -1.0 2.0
   46    45    50    55   3.62500 -1.0 2.0
   50    53   -59    38   3.62500 -1.0 2.0
   50    53    59    60   3.62500 -1.0 2.0
   53    50    55    56   0.84100 -1.0 2.0
   54    53    59    38   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   55    50    53    54   3.62500 -1.0 2.0
   55    50    53    59   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   0.00000  1.0 1.0
   39    43    47    49   0.00000  1.0 1.0
   39    43    47    51  -0.51250  1.0 1.0
   39    43    47    51  -0.88800 -1.0 2.0
   39    43    47    51   0.08850  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.30150 -1.0 2.0
   43    47    51    57   0.65300  1.0 1.0
   43    47    51    57  -0.03850 -1.0 2.0
   43    47    51    57   0.33900  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    51   0.09700  1.0 1.0
   44    43    47    51   0.15600 -1.0 2.0
   44    43    47    51  -0.50800  1.0 3.0
   47    51    57    58   0.04550  1.0 1.0
   47    51    57    58   0.83000 -1.0 2.0
   47    51    57    58  -0.04000  1.0 3.0
   47    51    57    61  -0.33500  1.0 1.0
   47    51    57    61   1.06600 -1.0 2.0
   47    51    57    61  -0.14000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    57   0.00000  1.0 1.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    57   0.00000  1.0 1.0
   51    57    61    62   7.00000 -1.0 2.0
   51    57    61    63   7.00000 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    61   1.00000 -1.0 2.0
   57    61    63    64   0.15800  1.0 1.0
   57    61    63    64   1.85350 -1.0 2.0
   57    61    63    64  -0.48700  1.0 3.0
   57    61    63    72   0.15800  1.0 1.0
   57    61    63    72   1.85350 -1.0 2.0
   57    61    63    72  -0.48700  1.0 3.0
   58    57    61    62   7.00000 -1.0 2.0
   58    57    61    63   7.00000 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63    72    69   3.62500 -1.0 2.0
   61    63    72    73   3.62500 -1.0 2.0
   62    61    63    64   0.56550  1.0 3.0
   62    61    63    72   0.56550  1.0 3.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    68   3.62500 -1.0 2.0
   64    63    72    69   3.62500 -1.0 2.0
   64    63    72    73   3.62500 -1.0 2.0
   64    66   -68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    72   3.62500 -1.0 2.0
   66    68    69    74   3.62500 -1.0 2.0
   66    68    70    71   0.84100 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    69   -72    63   3.62500 -1.0 2.0
   68    69    72    73   3.62500 -1.0 2.0
   68    69    74    75   1.63200 -1.0 2.0
   69    68    70    71   0.84100 -1.0 2.0
   69    74    75    76   0.08050  1.0 3.0
   69    74    75    77   0.08050  1.0 3.0
   69    74    75    78   0.08050  1.0 3.0
   72    63    64    65   3.62500 -1.0 2.0
   72    63   -64    66   3.62500 -1.0 2.0
   72    69    74    75   1.63200 -1.0 2.0
   74    69    72    63   3.62500 -1.0 2.0
   74    69    72    73   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    68    69    74   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
   50    46    45    41   1.10000 -1.0 2.0
   53    55    50    45   4.00000 -1.0 2.0
   59    54    53    50   1.10000 -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
   47    57    51    52  10.50000 -1.0 2.0
   51    58    57    61  15.00000 -1.0 2.0
   63    62    61    57  15.00000 -1.0 2.0
   64    72    63    61   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   69    70    68    66   4.00000 -1.0 2.0
   72    74    69    68   4.00000 -1.0 2.0
   69    73    72    63   1.10000 -1.0 2.0
END
