* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    135    203     390
    1     0 S   NP   _N1_     1    30.02021    91.81153   -25.47043
    2     1 S   H    _HN1     2     1.02911    91.90921    26.95858
    3     1 S   H    _H1_     3     1.02700    16.28981  -137.41247
    4     1 S   H    _H2_     4     1.03474   118.04897   -83.48748
    5     1 S   CT   _CA1     5     1.49819   114.88362   140.81330
    6     5 S   HC   _HA1     6     1.09573   105.25800    73.91889
    7     5 S   CO3  _C1_     7     1.53772   112.49677   -46.39005
    8     7 S   O2Z  _O11     8     1.26370   115.20030   -45.64890
    9     7 S   O2Z  _O12     9     1.26283   114.92271   133.59953
   10     5 S   CT   _CB1    10     1.52959   107.27659  -168.40040
   11    10 S   HC   HB11    11     1.09769   109.27643   -51.25337
   12    10 S   HC   HB12    12     1.09725   110.43821    65.25275
   13    10 S   CT   _CG1    13     1.52907   112.87232  -172.45491
   14    13 S   HC   HG11    14     1.09590   110.31441   -64.18712
   15    13 S   HC   HG12    15     1.09625   110.28670    55.21971
   16    13 S   C    _CD1    16     1.51688   111.77094   175.12866
   17    16 S   O    _OE1    17     1.22763   123.18755   -11.87883
   18    16 S   N    _N2_    18     1.38650   111.93083   168.85933
   19    18 S   H    _HN2    19     1.01579   119.17281     2.90973
   20    18 S   CT1  _CA2    20     1.45971   122.97772  -178.83433
   21    20 S   HC   _HA2    21     1.09619   109.23863    -0.51510
   22    20 S   C    _C2_    22     1.53483   109.57404  -115.96362
   23    22 S   O    _O2_    23     1.23100   121.97893  -152.69591
   24    20 S   CT   _CB2    32     1.53412   111.80799   121.34207
   25    24 S   HC   HB21    33     1.09661   109.61616    66.56503
   26    24 S   HC   HB22    34     1.09587   110.55704  -176.41166
   27    22 S   N    _N3_    24     1.38251   114.01134    34.71311
   28    27 S   H    _HN3    25     1.01625   119.59238    -3.58878
   29    24 S   S    _SG2    35     1.82921   115.44796   -53.47794
   30    27 S   CT   _CA3    26     1.45309   123.00584   176.94181
   31    30 S   HC   HA31    27     1.09556   107.45704   -64.93024
   32    30 S   HC   HA32    28     1.09562   107.99963    51.44902
   33    29 S   CT   _C21    36     1.82498   100.22026   -59.42966
   34    33 S   HC   _H19    37     1.09066   108.78062    68.08233
   35    33 S   HC   _H20    38     1.09503   108.17386   -49.11625
   36    30 S   CO3  _C3_    29     1.52905   114.24531   173.45147
   37    36 S   O2Z  _O31    30     1.26337   116.07779    -2.08469
   38    36 S   O2Z  _O32    31     1.26438   114.39514   178.00895
   39    33 S   CT   _C20    39     1.53281   112.50952  -169.03594
   40    39 S   HC   _H17    40     1.09678   109.94867   171.92883
   41    39 S   HC   _H18    41     1.09801   108.45246    58.72048
   42    39 S   NE   _N6_    42     1.47525   113.49851   -64.31990
   43    42 S   CA   _C7_    43     1.39748   122.12155   -76.02381
   44    42 S   CT   _C18    71     1.47479   116.19729   107.24845
   45    44 S   HC   _H13    72     1.09628   110.25308  -133.54637
   46    44 S   HC   _H14    73     1.09767   110.34831   -18.97081
   47    43 S   CA   _C8_    44     1.40627   122.50673    -4.66942
   48    47 S   HA   _H7_    45     1.08656   121.33454     0.88559
   49    44 S   CT   _C19    74     1.52918   112.83679   102.69010
   50    49 S   Cl   Cl1_    75     1.78145   112.13322   -67.49629
   51    49 S   HC   _H15    76     1.09417   109.74080   173.93260
   52    49 S   HC   _H16    77     1.09272   112.60819    53.55491
   53    47 S   CA   _C9_    46     1.40249   122.47610  -178.24097
   54    53 S   HA   _H8_    47     1.08790   119.01369   179.20377
   55    53 S   CA   _C10    48     1.39486   121.04343     0.08156
   56    55 S   CA   _C5_    49     1.40203   118.50222    -0.10279
   57    55 S   NN   _N4_    56     1.40743   119.12119   175.91764
   58    43 S   CA   _C6_    50     1.41153   122.31885   176.19903
   59    58 S   HA   _H6_    51     1.08743   120.13568    -1.75189
   60    56 S   CT   _C4_    52     1.50427   121.15192   178.79992
   61    60 S   HC   _H3_    53     1.09486   110.32306   -54.79410
   62    60 S   HC   _H4_    54     1.09387   110.41322    66.21762
   63    60 S   HC   _H5_    55     1.09506   111.64540  -173.98657
   64    57 S   NN   _N5_    57     1.25071   110.68348   104.03321
   65    64 S   CA   _C11    58     1.41215   110.39484   177.86668
   66    65 S   CA   _C12    59     1.40724   120.40954   -59.34623
   67    66 S   HA   _H9_    60     1.08778   120.06353    -0.07133
   68    66 S   CA   _C13    61     1.39488   121.05239   179.55413
   69    68 S   HA   _H10    62     1.08611   120.01629  -179.49642
   70    68 S   CA   _C14    63     1.39050   119.88647     0.37742
   71    70 S   HA   _H11    64     1.08614   120.11364  -179.82641
   72    70 S   CA   _C15    65     1.39409   119.88993     0.63180
   73    72 S   HA   _H12    66     1.08797   119.03972   179.11133
   74    65 S   CA   _C16    67     1.40837   120.76640   122.08635
   75    74 S   CO3  _C17    68     1.49830   121.71907     1.30566
   76    75 S   O2Z  _O34    69     1.26896   116.70047  -129.93572
   77    75 S   O2Z  _O33    70     1.26993   116.72636    51.34847
  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   7   5   4   3
   8   5   4   2   1   1  10   4   3  14  13   8   5   4   8   4
   3   2   1   1   7   3  10   8   6   5   1   3   2   1   1   7
  11   8   4   6   3   5   3   5   2   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    47    58    44    45    46    49  
   41    42    43    44  
   42    43    44  
   43    47    48    53    56    58    59    44    45    46    49    50    51    52  
   47    48    53    54    55    56    58    59    60    44    45    46    49  
   45    46    49    50    51    52    47    58  
   46    49    50    51    52  
   49    50    51    52  
   48    53    54    55    56    58    59    57  
   53    54    55    58  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    58    60    57    64  
   55    56    57  
   56    58    59    60    61    62    63    57    64    65  
   58    59    60    61    62    63    57    64  
   64    65    66    74    58    60  
   59    60    61    62    63  
   60  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    72    74    75  
   66    67    68    69    70    72    73    74    75    76    77  
   67    68    69    70    71    72    74    75  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75    76    77  
   74    75  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   43   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   51   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.030800   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.2500   0.1700  -0.030800   1.8375   1.6250   0.005000000   0.000000000
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.030800   1.8375   1.6250   0.005000000   0.000000000
   65   3.5500   0.0700   0.030800   2.0020   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   382.000  1.448
   42    43   481.000  1.340
   42    44   382.000  1.448
   43    47   469.000  1.400
   43    58   469.000  1.400
   47    48   367.000  1.080
   47    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   55    57   370.000  1.400
   56    58   469.000  1.400
   56    60   317.000  1.510
   58    59   367.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   57    64   555.000  1.240
   64    65   370.000  1.400
   65    66   469.000  1.400
   65    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   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   400.000  1.490
   75    76   656.000  1.250
   75    77   656.000  1.250
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   245.000  1.781
   49    51   340.000  1.090
   49    52   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    80.00000  111.61500
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    50.00000  120.00000
   39    42    44    50.00000  115.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    47    70.00000  120.10000
   42    43    58    70.00000  120.10000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    49    80.00000  111.61500
   43    47    48    35.00000  120.00000
   43    47    53    63.00000  120.00000
   43    58    56    63.00000  120.00000
   43    58    59    35.00000  120.00000
   47    53    54    35.00000  120.00000
   47    53    55    63.00000  120.00000
   53    47    48    35.00000  120.00000
   53    55    56    63.00000  120.00000
   53    55    57    70.00000  119.16000
   55    53    54    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    56    60    70.00000  120.00000
   55    57    64    80.00000  113.01500
   56    58    59    35.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   58    43    47    63.00000  120.00000
   60    56    58    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   57    55    56    70.00000  119.16000
   57    64    65    80.00000  113.01500
   64    65    66    70.00000  119.16000
   64    65    74    70.00000  119.16000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    74    72    63.00000  120.00000
   65    74    75    85.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   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    85.00000  120.00000
   74    65    66    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    80.00000  120.40000
   74    75    77    80.00000  120.40000
   77    75    76    80.00000  126.00000
   44    42    43    50.00000  120.00000
   44    49    50    69.00000  109.80000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   51    49    50    51.00000  107.60000
   52    49    50    51.00000  107.60000
   52    49    51    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.12500  1.0 1.0
   33    39    42    43  -0.12500 -1.0 2.0
   33    39    42    43   0.25000  1.0 3.0
   33    39    42    44   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.22950  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.22950  1.0 3.0
   39    42    43    47  -1.00000  1.0 1.0
   39    42    43    47   1.25000 -1.0 2.0
   39    42    43    58  -1.00000  1.0 1.0
   39    42    43    58   1.25000 -1.0 2.0
   39    42    44    45   0.00000  1.0 1.0
   39    42    44    46   0.00000  1.0 1.0
   39    42    44    49   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    44   0.00000  1.0 1.0
   42    43    47    48   3.62500 -1.0 2.0
   42    43    47    53   3.62500 -1.0 2.0
   42    43    58    56   3.62500 -1.0 2.0
   42    43    58    59   3.62500 -1.0 2.0
   42    44    49    50   1.15000  1.0 1.0
   42    44    49    50  -0.54150 -1.0 2.0
   42    44    49    50   0.79350  1.0 3.0
   42    44    49    51   0.22950  1.0 3.0
   42    44    49    52   0.22950  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    49  -0.12500  1.0 1.0
   43    42    44    49  -0.12500 -1.0 2.0
   43    42    44    49   0.25000  1.0 3.0
   43    47    53    54   3.62500 -1.0 2.0
   43    47    53    55   3.62500 -1.0 2.0
   47    43    58    56   3.62500 -1.0 2.0
   47    43    58    59   3.62500 -1.0 2.0
   47    53   -55    56   3.62500 -1.0 2.0
   47    53    55    57   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   48    47    53    55   3.62500 -1.0 2.0
   53    55    56    58   3.62500 -1.0 2.0
   53    55    56    60   3.62500 -1.0 2.0
   53    55    57    64   1.25000 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    56   -58    43   3.62500 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    60    61   0.00000  1.0 1.0
   55    56    60    62   0.00000  1.0 1.0
   55    56    60    63   0.00000  1.0 1.0
   55    57    64    65   5.00000 -1.0 2.0
   56    55    57    64   1.25000 -1.0 2.0
   58    43    47    48   3.62500 -1.0 2.0
   58    43   -47    53   3.62500 -1.0 2.0
   58    56    60    61   0.00000  1.0 1.0
   58    56    60    62   0.00000  1.0 1.0
   58    56    60    63   0.00000  1.0 1.0
   60    56    58    43   3.62500 -1.0 2.0
   60    56    58    59   3.62500 -1.0 2.0
   57    55    56    58   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   57    64    65    66   1.25000 -1.0 2.0
   57    64    65    74   1.25000 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    68   3.62500 -1.0 2.0
   64    65    74    72   3.62500 -1.0 2.0
   64    65    74    75   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   65    74    75    76   1.05000 -1.0 2.0
   65    74    75    77   1.05000 -1.0 2.0
   66    65    74    72   3.62500 -1.0 2.0
   66    65    74    75   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -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    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    65   3.62500 -1.0 2.0
   70    72    74    75   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    75    76   1.05000 -1.0 2.0
   72    74    75    77   1.05000 -1.0 2.0
   73    72    74    65   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    65    66    67   3.62500 -1.0 2.0
   74    65   -66    68   3.62500 -1.0 2.0
   44    42    43    47  -1.00000  1.0 1.0
   44    42    43    47   1.25000 -1.0 2.0
   44    42    43    58  -1.00000  1.0 1.0
   44    42    43    58   1.25000 -1.0 2.0
   45    44    49    50   0.27000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   46    44    49    50   0.27000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    52   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   44    43    42    39   1.00000 -1.0 2.0
   47    58    43    42   4.00000 -1.0 2.0
   53    48    47    43   1.10000 -1.0 2.0
   55    54    53    47   1.10000 -1.0 2.0
   56    57    55    53   4.00000 -1.0 2.0
   58    60    56    55   4.00000 -1.0 2.0
   56    59    58    43   1.10000 -1.0 2.0
   66    74    65    64   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   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
   72    75    74    65   4.00000 -1.0 2.0
   76    74    75    77  10.50000 -1.0 2.0
END
