* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    140    208     400
    1     0 S   NP   _N1_     1    31.50378   100.91034   -23.17434
    2     1 S   H    _HN1     2     1.03488   134.02574   -71.78855
    3     1 S   H    _H1_     3     1.02849    26.73846   -53.76692
    4     1 S   H    _H2_     4     1.02758    89.73314   173.90712
    5     1 S   CT   _CA1     5     1.49979   100.51668    62.48879
    6     5 S   HC   _HA1     6     1.09555   104.90167   154.36523
    7     5 S   CO3  _C1_     7     1.53684   113.20310    33.77050
    8     7 S   O2Z  _O11     8     1.26363   115.12015   -36.89698
    9     7 S   O2Z  _O12     9     1.26266   114.99524   142.39298
   10     5 S   CT   _CB1    10     1.53092   107.51290   -87.41131
   11    10 S   HC   HB11    11     1.09608   109.46410   -41.96968
   12    10 S   HC   HB12    12     1.09824   110.33829    73.72460
   13    10 S   CT   _CG1    13     1.53214   112.77611  -164.69480
   14    13 S   HC   HG11    14     1.09551   110.89678   -99.71382
   15    13 S   HC   HG12    15     1.09380   111.38104    19.38468
   16    13 S   C    _CD1    16     1.51431   109.80898   140.00692
   17    16 S   O    _OE1    17     1.22787   121.79713    87.15049
   18    16 S   N    _N2_    18     1.38589   112.56944   -89.69911
   19    18 S   H    _HN2    19     1.01578   119.20492    -3.81136
   20    18 S   CT1  _CA2    20     1.46196   123.36304   172.77422
   21    20 S   HC   _HA2    21     1.09717   109.20750   -11.56277
   22    20 S   C    _C2_    22     1.53783   108.51086  -127.15176
   23    22 S   O    _O2_    23     1.23063   122.17983  -153.92141
   24    20 S   CT   _CB2    32     1.53421   112.05254   110.96622
   25    24 S   HC   HB21    33     1.09191   109.45619    57.87672
   26    24 S   HC   HB22    34     1.09447   109.67020   175.70372
   27    22 S   N    _N3_    24     1.38362   113.91590    33.06994
   28    27 S   H    _HN3    25     1.01470   119.25011    -1.88118
   29    24 S   S    _SG2    35     1.82815   112.03289   -64.85678
   30    27 S   CT   _CA3    26     1.45337   123.26632   178.00531
   31    30 S   HC   HA31    27     1.09550   107.24636   -69.55289
   32    30 S   HC   HA32    28     1.09558   108.19109    46.81771
   33    29 S   CT   _C9_    36     1.87578   101.31298   166.11624
   34    30 S   CO3  _C3_    29     1.52993   114.36373   168.90594
   35    34 S   O2Z  _O31    30     1.26431   116.27218    -5.07937
   36    34 S   O2Z  _O32    31     1.26399   114.47563   175.05272
   37    33 S   CM   _C8_    37     1.51998   107.14203   152.60607
   38    37 S   HC   _H9_    38     1.09117   116.30047   -40.44207
   39    33 S   OS   _O37    72     1.44932   111.28367    32.00662
   40    37 S   CMA  _C7_    39     1.34985   126.60729   140.95356
   41    40 S   OM   _O38    40     1.26207   129.21900   179.62154
   42    39 S   CT   _C20    73     1.42166   117.64390    75.11752
   43    42 S   HC   _H17    74     1.09374   107.82869  -168.21837
   44    42 S   HC   _H18    75     1.09378   110.56046    74.36764
   45    42 S   HC   _H19    76     1.09315   112.11978   -49.21301
   46    40 S   CT   _C6_    41     1.52443   119.60009     0.24866
   47    46 S   HC   _H7_    42     1.10101   110.09211   131.64622
   48    46 S   HC   _H8_    43     1.10016   108.73827  -112.45681
   49    46 S   CT   _C5_    44     1.54162   115.17195    10.45229
   50    49 S   HC   _H3_    45     1.09999   107.80929    76.77555
   51    33 S   CT   _C10    46     1.56967   111.41713   -86.55821
   52    49 S   CT   _C4_    68     1.53470   110.00111  -168.96784
   53    52 S   HC   _H4_    69     1.09462   111.82253    64.00492
   54    52 S   HC   _H5_    70     1.09565   110.36658   -55.67719
   55    52 S   HC   _H6_    71     1.09439   111.34716  -174.64248
   56    51 S   CO4  _C11    47     1.52954   114.61984   -41.04789
   57    56 S   O    _O33    48     1.21627   128.06548   -60.08147
   58    56 S   CA   _C12    49     1.44469   107.67104   120.08053
   59    58 S   CA   _C17    50     1.37730   105.73609    -0.67782
   60    59 S   CA   _C16    51     1.38385   120.42699  -179.23921
   61    60 S   Cl   Cl1_    52     1.72674   119.69086   179.09216
   62    51 S   OS   _O34    67     1.46070   109.46194    75.17242
   63    60 S   CA   _C15    53     1.40594   118.85080    -0.64528
   64    63 S   CA   _C14    54     1.41325   119.59138     0.36744
   65    64 S   HA   _H10    55     1.08489   119.52809   179.58788
   66    63 S   OS   _O35    62     1.37300   116.04890  -179.88809
   67    58 S   CA   _C13    56     1.38448   131.21155   179.79064
   68    66 S   CT   _C18    63     1.42185   117.66225   176.80966
   69    68 S   HC   _H11    64     1.09427   107.71586  -177.33802
   70    68 S   HC   _H12    65     1.09367   111.00167    65.12346
   71    68 S   HC   _H13    66     1.09491   111.29535   -59.58291
   72    67 S   OS   _O36    57     1.36365   117.02417    -0.37009
   73    72 S   CT   _C19    58     1.42193   117.22258   175.60858
   74    73 S   HC   _H14    59     1.09426   107.74154  -178.61549
   75    73 S   HC   _H15    60     1.09481   111.18828    63.64489
   76    73 S   HC   _H16    61     1.09411   111.04947   -60.96720
  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  10   5   4   3
  19   2   1   1  12   5   9   8   4   4   2   1   1  11   5   4
  11   7  11   5   2   1   1   8   4  10   8   8   4   2   9   6
   3   5   5   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    51    56    62    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    49    50    51    56    57    58    59    62    52    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    49    51    56    62    39    42  
   40    41    46    51    39  
   42    43    44    45    40    49    51    56    62  
   41    46    47    48    49    50    51    52  
   46    47    48    49  
   43    44    45    51  
   44    45  
   45  
    0  
   47    48    49    50    51    56    62    52    53    54    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    56    57    58    59    62    52    53    54    55  
   51    56    62    52    53    54    55  
   56    57    58    59    60    67    62    52    53    54    55  
   53    54    55    56    62  
   54    55  
   55  
    0  
   57    58    59    60    64    67    72    62  
   58    59    67    62  
   59    60    61    63    64    65    67    72    73    62  
   60    61    63    64    67    72    66    62  
   61    63    64    65    67    66    68    62  
   63    64    66    62  
   63    67  
   64    65    67    72    66    68    69    70    71  
   65    67    72    73    66    68  
   67    72    66  
   68    69    70    71    67  
   72    73    74    75    76  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700   0.085000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    51   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   317.000  1.522
   51    62   320.000  1.410
   56    57   570.000  1.229
   56    58   310.000  1.470
   58    59   469.000  1.400
   58    67   469.000  1.400
   59    60   469.000  1.400
   59    62   450.000  1.364
   60    61   300.000  1.725
   60    63   469.000  1.400
   63    64   469.000  1.400
   63    66   450.000  1.364
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    72   450.000  1.364
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    51    49    58.35000  112.70000
   33    51    56    63.00000  111.10000
   33    51    62    50.00000  109.50000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    46    47    45.00000  110.52000
   40    46    48    45.00000  110.52000
   40    46    49    70.00000  112.02700
   46    40    41    85.00000  112.85300
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    56    63.00000  111.10000
   49    51    62    50.00000  109.50000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    33    37    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    57    80.00000  120.40000
   51    56    58    65.00000  115.47100
   51    62    59    75.00000  111.00000
   56    58    59    60.00000  119.52600
   56    58    67    60.00000  119.52600
   58    56    57    75.00000  123.78400
   58    59    60    63.00000  120.00000
   58    59    62    70.00000  120.00000
   58    67    64    63.00000  120.00000
   58    67    72    70.00000  120.00000
   59    60    61    75.00000  120.00000
   59    60    63    63.00000  120.00000
   60    63    64    63.00000  120.00000
   60    63    66    70.00000  120.00000
   63    60    61    75.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    67    63.00000  120.00000
   63    66    68    75.00000  111.00000
   64    67    72    70.00000  120.00000
   67    58    59    63.00000  120.00000
   67    64    65    35.00000  120.00000
   67    72    73    75.00000  111.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    63    64    70.00000  120.00000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    51    56    90.00000  108.74100
   62    59    60    70.00000  120.00000
   52    49    50    37.50000  110.70000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    51    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   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
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    56   0.56750  1.0 1.0
   29    33    51    56  -0.07550 -1.0 2.0
   29    33    51    56   0.20000  1.0 3.0
   29    33    51    62   0.56750  1.0 1.0
   29    33    51    62  -0.07550 -1.0 2.0
   29    33    51    62   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    51    56    57   0.30150 -1.0 2.0
   33    51    56    58   0.05850 -1.0 2.0
   33    51    56    58   0.17250  1.0 3.0
   33    51    62    59  -0.32850  1.0 1.0
   33    51    62    59  -0.35800 -1.0 2.0
   33    51    62    59   0.33950  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    51    49   0.34400  1.0 1.0
   37    33    51    49   0.09450 -1.0 2.0
   37    33    51    49   0.11100  1.0 3.0
   37    33    51    56  -0.98800  1.0 1.0
   37    33    51    56   0.48800 -1.0 2.0
   37    33    51    56   0.76800  1.0 3.0
   37    33    51    62   0.61850  1.0 1.0
   37    33    51    62  -0.22750 -1.0 2.0
   37    33    51    62   0.15300  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40    46    47   0.00000  1.0 1.0
   37    40    46    48   0.00000  1.0 1.0
   37    40   -46    49   0.09850  1.0 1.0
   37    40   -46    49   0.15250 -1.0 2.0
   37    40   -46    49  -0.50650  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    49    50   0.15000  1.0 3.0
   40    46    49    51   0.34400  1.0 1.0
   40    46    49    51   0.09450 -1.0 2.0
   40    46    49    51   0.11100  1.0 3.0
   40    46    49    52   0.34400  1.0 1.0
   40    46    49    52   0.09450 -1.0 2.0
   40    46    49    52   0.11100  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    46    49   0.09700  1.0 1.0
   41    40    46    49   0.15600 -1.0 2.0
   41    40    46    49  -0.50800  1.0 3.0
   46    49   -51    33   0.56750  1.0 1.0
   46    49   -51    33  -0.07550 -1.0 2.0
   46    49   -51    33   0.20000  1.0 3.0
   46    49    51    56  -0.95700  1.0 1.0
   46    49    51    56  -0.18200 -1.0 2.0
   46    49    51    56   0.29450  1.0 3.0
   46    49    51    62   0.62750  1.0 1.0
   46    49    51    62  -0.30950 -1.0 2.0
   46    49    51    62   0.27300  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    51    56    57   0.30150 -1.0 2.0
   49    51    56    58   0.05850 -1.0 2.0
   49    51    56    58   0.17250  1.0 3.0
   49    51    62    59  -0.32850  1.0 1.0
   49    51    62    59  -0.35800 -1.0 2.0
   49    51    62    59   0.33950  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    56  -0.11250  1.0 3.0
   50    49    51    62   0.23400  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40   0.09850  1.0 1.0
   51    33   -37    40   0.15250 -1.0 2.0
   51    33   -37    40  -0.50650  1.0 3.0
   51    33    39    42   0.06250  1.0 1.0
   51    33    39    42  -0.01100 -1.0 2.0
   51    33    39    42   0.28050  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    56   -58    59   2.26350  1.0 1.0
   51    56   -58    59   0.76750 -1.0 2.0
   51    56   -58    59   0.22500  1.0 3.0
   51    56    58    67   2.26350  1.0 1.0
   51    56    58    67   0.76750 -1.0 2.0
   51    56    58    67   0.22500  1.0 3.0
   56    51   -62    59  -0.25600  1.0 1.0
   56    51   -62    59  -0.40050 -1.0 2.0
   56    51   -62    59   0.34700  1.0 3.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58   -59    62   3.62500 -1.0 2.0
   56    58    67    64   3.62500 -1.0 2.0
   56    58    67    72   3.62500 -1.0 2.0
   57    56    58    59   1.05000 -1.0 2.0
   57    56    58    67   1.05000 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59    60    63   3.62500 -1.0 2.0
   58    59   -62    51   1.63200 -1.0 2.0
   58    67    72    73   1.63200 -1.0 2.0
   59    58    67    64   3.62500 -1.0 2.0
   59    58    67    72   3.62500 -1.0 2.0
   59    60   -63    64   3.62500 -1.0 2.0
   59    60    63    66   3.62500 -1.0 2.0
   60    59    62    51   1.63200 -1.0 2.0
   60    63    64    65   3.62500 -1.0 2.0
   60    63    64    67   3.62500 -1.0 2.0
   60    63    66    68   1.63200 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   61    60    63    66   3.62500 -1.0 2.0
   63    64   -67    58   3.62500 -1.0 2.0
   63    64    67    72   3.62500 -1.0 2.0
   63    66    68    69   0.08050  1.0 3.0
   63    66    68    70   0.08050  1.0 3.0
   63    66    68    71   0.08050  1.0 3.0
   64    63    66    68   1.63200 -1.0 2.0
   64    67    72    73   1.63200 -1.0 2.0
   65    64    67    58   3.62500 -1.0 2.0
   65    64    67    72   3.62500 -1.0 2.0
   67    58   -59    60   3.62500 -1.0 2.0
   67    58    59    62   3.62500 -1.0 2.0
   67    72    73    74   0.08050  1.0 3.0
   67    72    73    75   0.08050  1.0 3.0
   67    72    73    76   0.08050  1.0 3.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    67   3.62500 -1.0 2.0
   62    51    56    57   0.30150 -1.0 2.0
   62    51   -56    58   0.65300  1.0 1.0
   62    51   -56    58  -0.03850 -1.0 2.0
   62    51   -56    58   0.33900  1.0 3.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    63   3.62500 -1.0 2.0
   52    49    51    33   0.56750  1.0 1.0
   52    49    51    33  -0.07550 -1.0 2.0
   52    49    51    33   0.20000  1.0 3.0
   52    49    51    56  -0.95700  1.0 1.0
   52    49    51    56  -0.18200 -1.0 2.0
   52    49    51    56   0.29450  1.0 3.0
   52    49    51    62   0.62750  1.0 1.0
   52    49    51    62  -0.30950 -1.0 2.0
   52    49    51    62   0.27300  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    51    49   0.62750  1.0 1.0
   39    33    51    49  -0.30950 -1.0 2.0
   39    33    51    49   0.27300  1.0 3.0
   39    33    51    56  -0.09450  1.0 1.0
   39    33    51    56  -1.12950 -1.0 2.0
   39    33    51    56   0.54000  1.0 3.0
   39    33    51    62   1.11900  1.0 1.0
   39    33    51    62  -1.16350 -1.0 2.0
   39    33    51    62  -0.34150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   51    58    56    57  10.50000 -1.0 2.0
   59    67    58    56   4.00000 -1.0 2.0
   60    62    59    58   4.00000 -1.0 2.0
   63    61    60    59   4.00000 -1.0 2.0
   64    66    63    60   4.00000 -1.0 2.0
   67    65    64    63   1.10000 -1.0 2.0
   64    72    67    58   4.00000 -1.0 2.0
END
