* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    128    203     380
    1     0 S   NP   _N1_     1    29.61304    97.88483   -17.03335
    2     1 S   H    _HN1     2     1.02944    63.45975   121.34275
    3     1 S   H    _H1_     3     1.02793    77.54164  -121.29743
    4     1 S   H    _H2_     4     1.02859    66.01816    -4.65286
    5     1 S   CT   _CA1     5     1.50463   170.23525    71.00258
    6     5 S   HC   _HA1     6     1.09682   104.71782   110.36354
    7     5 S   CO3  _C1_     7     1.54509   110.77624    -5.87606
    8     7 S   O2Z  _O11     8     1.25996   116.79695  -114.96173
    9     7 S   O2Z  _O12     9     1.26660   113.84390    63.92254
   10     5 S   CT   _CB1    10     1.53124   107.06905  -133.33428
   11    10 S   HC   HB11    11     1.09827   110.37768   -40.88921
   12    10 S   HC   HB12    12     1.09761   109.91428    75.72887
   13    10 S   CT   _CG1    13     1.53105   112.14581  -161.33084
   14    13 S   HC   HG11    14     1.09397   110.63861   -49.73333
   15    13 S   HC   HG12    15     1.09641   109.69261    68.83751
   16    13 S   C    _CD1    16     1.51884   112.26137  -170.43312
   17    16 S   O    _OE1    17     1.22802   123.05582     0.88779
   18    16 S   N    _N2_    18     1.38579   112.02768  -179.49178
   19    18 S   H    _HN2    19     1.02062   119.06190     4.70245
   20    18 S   CT1  _CA2    20     1.46025   123.36694  -178.03159
   21    20 S   HC   _HA2    21     1.09742   108.95829    -2.39425
   22    20 S   C    _C2_    22     1.53639   109.95908  -117.90440
   23    22 S   O    _O2_    23     1.23129   121.71987  -157.13993
   24    20 S   CT   _CB2    32     1.53566   111.96811   118.99606
   25    24 S   HC   HB21    33     1.09456   110.65206    61.35051
   26    24 S   HC   HB22    34     1.09570   109.87500   178.56142
   27    22 S   N    _N3_    24     1.38328   114.05672    30.42607
   28    27 S   H    _HN3    25     1.01493   118.79056    -3.80781
   29    24 S   S    _SG2    35     1.83273   112.39967   -63.34453
   30    27 S   CT   _CA3    26     1.45402   123.68596   175.08634
   31    30 S   HC   HA31    27     1.09516   109.37554    21.92091
   32    30 S   HC   HA32    28     1.09505   107.10426   138.85883
   33    29 S   CT   _C10    36     1.84834   100.53185   120.62862
   34    33 S   HC   _H3_    37     1.09593   105.09554    54.18850
   35    30 S   CO3  _C3_    29     1.52897   112.97045  -101.67343
   36    35 S   O2Z  _O31    30     1.26431   115.39473   -48.31429
   37    35 S   O2Z  _O32    31     1.26375   115.07312   132.61072
   38    33 S   CA   _C9_    38     1.52145   110.39251   170.64333
   39    33 S   CM   _C11    50     1.51163   109.90190   -65.03018
   40    39 S   HC   _H9_    51     1.08971   115.31358   -53.57072
   41    38 S   CA   _C4_    39     1.40501   119.57611  -114.43863
   42    41 S   HA   _H5_    40     1.08754   120.34492    -0.03956
   43    39 S   CMA  _C12    52     1.35432   126.95507   124.64542
   44    43 S   OM   _O33    53     1.26737   125.57790     3.47930
   45    41 S   CA   _C5_    41     1.39617   120.79899  -179.86878
   46    45 S   HA   _H6_    42     1.08614   119.82580   179.96044
   47    43 S   OS   _O34    54     1.42114   109.14594  -176.18571
   48    45 S   CA   _C6_    43     1.39082   119.65184     0.08156
   49    47 S   CT   _C13    55     1.43788   117.11025   162.16648
   50    49 S   HC   _H4_    56     1.09689   111.12070    50.93148
   51    48 S   CA   _C7_    44     1.39177   120.71507    -0.01978
   52    51 S   HA   _H7_    45     1.08595   121.06248   179.89165
   53    48 S   OH   _O39    48     1.36632   118.23292   179.94405
   54    53 S   HO   _H17    49     0.97238   108.44321  -179.45320
   55    49 S   CO3  _C21    57     1.53998   110.18694   -74.06312
   56    55 S   O2Z  _O38    58     1.26494   116.26451   -37.75911
   57    55 S   O2Z  _O37    59     1.26581   114.56517   143.89638
   58    49 S   CT   _C14    60     1.53418   108.49733   172.22486
   59    58 S   HC   _H10    61     1.09820   110.68385   172.71751
   60    58 S   HC   _H11    62     1.09880   110.32771    55.78746
   61    38 S   CA   _C8_    46     1.40679   121.96694    65.81031
   62    61 S   HA   _H8_    47     1.08782   120.49536    -0.11191
   63    58 S   CA   _C15    63     1.51080   112.60201   -65.75746
   64    63 S   CA   _C16    64     1.40142   120.78721   -76.27765
   65    64 S   HA   _H12    65     1.08729   120.19278    -0.20748
   66    64 S   CA   _C17    66     1.39673   120.47341   179.66138
   67    66 S   HA   _H13    67     1.08607   119.30642  -179.95154
   68    66 S   CA   _C18    68     1.39454   119.76094     0.03426
   69    68 S   CA   _C19    69     1.39224   120.20802    -0.12511
   70    68 S   OH   _O36    74     1.36742   120.41783   179.86294
   71    70 S   HO   _H16    75     0.97184   108.63607     0.79426
   72    63 S   CA   _C20    70     1.40179   120.04539   103.11890
   73    72 S   HA   _H14    71     1.08562   119.47618    -0.03956
   74    69 S   OH   _O35    72     1.36769   119.50390   179.86878
   75    74 S   HO   _H15    73     0.97616   108.97480  -179.03612
  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   7   3   8   4   6   2   7   3   9   6
  10   7   5   3   2   1   6   2   1   9   4   3   1   1   9   8
   4   7   3   7   6   3   1   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    61    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    61    62    39    40    43    44    47  
   38    41    61    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    52    61    62    39    40    43  
   40    43    44    47    49    41    61  
   43    44    47  
   42    45    46    48    51    61    62    53  
   45    46    48    61  
   44    47    49    50    55    58  
   47    49  
   46    48    51    52    61    53    54  
   48    51    53  
   49    50    55    56    57    58    59    60    63  
   51    52    61    62    53    54  
   50    55    56    57    58    59    60    63    64    72  
   55    56    57    58    59    60    63  
   52    61    62    53    54  
   61    62    53  
   54    61  
    0  
   56    57    58    59    60    63  
   57    58  
   58  
   59    60    63    64    65    66    69    72    73  
   60    63    64    72  
   63    64    72  
   62  
    0  
   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    70    71  
   71    72    74  
    0  
   73    74    75  
   74  
   75  
    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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   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   0.150000   2.0020   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    61   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    53   450.000  1.364
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    62   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    55   317.000  1.522
   49    58   268.000  1.529
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   317.000  1.510
   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   553.000  0.945
   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    61    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    61    51    63.00000  120.00000
   38    61    62    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    53    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    61    63.00000  120.00000
   48    53    54    35.00000  113.00000
   51    61    62    35.00000  120.00000
   61    38    41    63.00000  120.00000
   61    51    52    35.00000  120.00000
   53    48    51    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    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    55    85.00000  109.63000
   47    49    58    50.00000  109.50000
   49    55    56    70.00000  117.00000
   49    55    57    70.00000  117.00000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    63    70.00000  112.17500
   55    49    50    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    49    50    37.50000  110.70000
   58    49    55    70.00000  109.69300
   58    63    64    70.00000  120.00000
   58    63    72    70.00000  120.00000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   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    35.00000  113.00000
   72    63    64    63.00000  120.00000
   74    69    72    70.00000  120.00000
   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    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   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    61    51   3.62500 -1.0 2.0
   33    38    61    62   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    61   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    48   3.62500 -1.0 2.0
   41    38    61    51   3.62500 -1.0 2.0
   41    38    61    62   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    61   3.62500 -1.0 2.0
   45    48    53    54   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    51   -61    38   3.62500 -1.0 2.0
   48    51    61    62   3.62500 -1.0 2.0
   51    48    53    54   0.84100 -1.0 2.0
   52    51    61    38   3.62500 -1.0 2.0
   52    51    61    62   3.62500 -1.0 2.0
   61    38    41    42   3.62500 -1.0 2.0
   61    38   -41    45   3.62500 -1.0 2.0
   53    48    51    52   3.62500 -1.0 2.0
   53    48    51    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    61   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    55  -0.48150  1.0 1.0
   43    47    49    55   0.09250 -1.0 2.0
   43    47    49    55  -0.12850  1.0 3.0
   43    47    49    58  -0.46850  1.0 1.0
   43    47    49    58   0.09300 -1.0 2.0
   43    47    49    58  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    55    56   0.30150 -1.0 2.0
   47    49    55    57   0.30150 -1.0 2.0
   47    49    58    59   0.23400  1.0 3.0
   47    49    58    60   0.23400  1.0 3.0
   47    49    58    63  -0.64350  1.0 1.0
   47    49    58    63  -0.04200 -1.0 2.0
   47    49    58    63   0.19800  1.0 3.0
   49    58    63    64   0.04150 -1.0 2.0
   49    58    63    72   0.04150 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.00000  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    63   0.43200  1.0 3.0
   55    49    58    59  -0.11250  1.0 3.0
   55    49    58    60  -0.11250  1.0 3.0
   55    49    58    63  -2.95950  1.0 1.0
   55    49    58    63   0.02300  1.0 3.0
   58    49    55    56   0.41150 -1.0 2.0
   58    49    55    57   0.41150 -1.0 2.0
   58    63    64    65   3.62500 -1.0 2.0
   58    63    64    66   3.62500 -1.0 2.0
   58    63    72    69   3.62500 -1.0 2.0
   58    63    72    73   3.62500 -1.0 2.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    72   0.00000  1.0 1.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    72   0.00000  1.0 1.0
   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   0.84100 -1.0 2.0
   69    68    70    71   0.84100 -1.0 2.0
   72    63    64    65   3.62500 -1.0 2.0
   72    63   -64    66   3.62500 -1.0 2.0
   72    69    74    75   0.84100 -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    61    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    53    48    45   4.00000 -1.0 2.0
   61    52    51    48   1.10000 -1.0 2.0
   51    62    61    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   56    49    55    57  10.50000 -1.0 2.0
   64    72    63    58   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
