* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    135    215     396
    1     0 S   NP   _N1_     1    30.97442   100.41544   -17.00531
    2     1 S   H    _HN1     2     1.02794    87.72620  -116.68004
    3     1 S   H    _H1_     3     1.02885    47.52405     0.59545
    4     1 S   H    _H2_     4     1.02920    73.79493   134.03153
    5     1 S   CT   _CA1     5     1.50395   156.21144    30.38172
    6     5 S   HC   _HA1     6     1.09605   104.63558   158.05712
    7     5 S   CO3  _C1_     7     1.54149   110.98695    42.55883
    8     7 S   O2Z  _O11     8     1.25982   116.57620  -107.50100
    9     7 S   O2Z  _O12     9     1.26556   113.81003    71.17833
   10     5 S   CT   _CB1    10     1.53112   106.97015   -86.52916
   11    10 S   HC   HB11    11     1.09811   109.24547   -49.47147
   12    10 S   HC   HB12    12     1.09759   110.65654    67.21558
   13    10 S   CT   _CG1    13     1.52795   112.11936  -170.37500
   14    13 S   HC   HG11    14     1.09410   110.23853   -69.61861
   15    13 S   HC   HG12    15     1.09609   109.82161    49.52213
   16    13 S   C    _CD1    16     1.51638   113.06881   169.62523
   17    16 S   O    _OE1    17     1.22703   123.48411    -2.27348
   18    16 S   N    _N2_    18     1.38599   111.44934   178.57797
   19    18 S   H    _HN2    19     1.01613   118.86098     0.43160
   20    18 S   CT1  _CA2    20     1.45637   123.12143   175.31893
   21    20 S   HC   _HA2    21     1.09655   109.93017    25.16048
   22    20 S   C    _C2_    22     1.52825   104.60917   -92.32773
   23    22 S   O    _O2_    23     1.22998   122.42729   -83.57418
   24    20 S   CT   _CB2    32     1.53145   111.84026   148.80889
   25    24 S   HC   HB21    33     1.09513   111.05684    51.53477
   26    24 S   HC   HB22    34     1.09582   109.69543   169.36303
   27    22 S   N    _N3_    24     1.38449   112.92607    92.33735
   28    27 S   H    _HN3    25     1.01684   119.87297     1.38861
   29    24 S   S    _SG2    35     1.82729   111.59468   -72.37924
   30    27 S   CT   _CA3    26     1.45448   123.08113   179.85735
   31    30 S   HC   HA31    27     1.09522   107.07398   -86.33554
   32    30 S   HC   HA32    28     1.09519   109.05066    30.21687
   33    29 S   CT   _C20    36     1.83676   100.39503   123.75926
   34    33 S   HC   _H3_    37     1.09583   108.62998    38.10290
   35    30 S   CO3  _C3_    29     1.52862   113.56277   153.81965
   36    35 S   O2Z  _O31    30     1.26340   115.75576    29.96328
   37    35 S   O2Z  _O32    31     1.26382   114.71095  -150.00292
   38    33 S   CHZ  _C15    38     1.52330   108.85812   -81.66065
   39    38 S   CM   _C16    39     1.49693   116.79760   -80.03579
   40    39 S   HC   _H14    40     1.08459   117.98813   162.13755
   41    38 S   NI   _N7_    50     1.29873   116.24264    98.25176
   42    39 S   CM   _C17    41     1.33908   121.43865   -16.15792
   43    41 S   NE   _N6_    51     1.34575   117.89792   177.26827
   44    43 S   H    _H13    52     1.01346   121.83535   -20.41858
   45    42 S   CO4  _C18    42     1.48613   121.38284    -2.96247
   46    45 S   O    _O35    43     1.22951   120.99672   176.35057
   47    42 S   CO3  _C21    47     1.53021   117.55328   179.04879
   48    47 S   O2Z  _O37    48     1.26466   115.46519   -54.37292
   49    47 S   O2Z  _O36    49     1.26428   115.14827   125.17486
   50    43 S   CA   _C12    53     1.40426   120.59671   161.38242
   51    33 S   CT   _C19    44     1.52274   110.98656   156.69502
   52    51 S   HC   _H15    45     1.09645   110.71982   -51.34462
   53    51 S   HC   _H16    46     1.09737   109.87606  -169.82517
   54    50 S   CA   _C11    54     1.40388   122.66209     2.73223
   55    54 S   HA   _H10    55     1.08760   120.68456     3.56760
   56    54 S   CA   _C10    56     1.39624   120.99769  -175.17164
   57    56 S   HA   _H9_    57     1.08591   118.99128   178.79342
   58    56 S   CA   _C9_    58     1.39253   119.35523     0.41212
   59    58 S   CA   _C14    59     1.39292   120.90861    -1.87764
   60    59 S   HA   _H12    60     1.08632   121.37214  -179.69933
   61    58 S   SY   _S1_    63     1.76906   120.23578   177.51045
   62    61 S   OY   _O33    64     1.45075   106.35945   130.85128
   63    61 S   OY   _O34    65     1.45021   108.32564     0.55567
   64    50 S   CA   _C13    61     1.40488   118.89863  -173.58800
   65    64 S   HA   _H11    62     1.08834   120.15044    -3.14373
   66    61 S   NE   _N5_    66     1.69597   102.67798  -115.42426
   67    66 S   H    _H8_    67     1.02485   118.80775  -104.48482
   68    66 S   CA   _C7_    68     1.43089   122.21146    60.98002
   69    68 S   CA   _C8_    69     1.38942   118.43729  -174.56996
   70    69 S   HA   _H7_    70     1.08483   121.61465     0.76130
   71    69 S   CA   _C4_    71     1.39222   118.29604  -179.57942
   72    71 S   HA   _H4_    72     1.08591   120.20177  -179.74207
   73    71 S   CA   _C5_    73     1.38910   119.70668     0.45542
   74    73 S   HA   _H5_    74     1.08425   121.16453   179.98022
   75    73 S   CA   _C6_    75     1.38357   117.80602     0.47888
   76    75 S   HA   _H6_    76     1.08459   120.95078   179.54889
   77    68 S   NB   _N4_    77     1.34952   118.40720     7.35471
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  12  10   4   7   8   8   3   7   4   3   1
   1   9   2   1   1   8   4   9   3  10   7   3   8   4   3   1
   1   7   3   8   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    51    52    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    45    46    51    52    53    41    43  
   38    39    45    51    52    53    41  
   36    37  
   37  
    0  
   39    40    42    45    51    52    53    47    41    43    44    50  
   40    42    45    46    51    47    48    49    41    43  
   42    45    47    41  
   43    44    50    54    64    42    51  
   45    46    51    52    53    47    48    49  
   44    50    54    55    56    59    64    65  
   50    54    64  
   46    51    52    53    47    48    49  
   51    52    53    47  
   48    49    51  
   49  
    0  
   54    55    56    57    58    59    60    64    65  
   52    53  
   53  
    0  
   55    56    57    58    59    64    65    61  
   56    57    58    64  
   57    58    59    60    64    61    62    63    66  
   58    59    61  
   59    60    64    65    61    62    63    66    67    68  
   60    64    65    61    62    63    66  
   64    65    61  
   62    63    66    67    68    69    77    64  
   63    66    67    68  
   66    67    68  
   65  
    0  
   67    68    69    70    71    75    77  
   68    69    77  
   69    70    71    72    73    75    76    77  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.155400   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.408500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.294700   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2800   0.1700  -0.276700   1.8540   1.6400   0.005000000   0.000000000
   42   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.3000   0.1700  -0.580000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   62   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   63   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.610600   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.685000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   77   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   285.000  1.496
   33    51   268.000  1.529
   38    39   360.000  1.437
   38    41   645.000  1.280
   39    40   340.000  1.080
   39    42   549.000  1.340
   42    45   320.000  1.462
   42    47   230.000  1.545
   45    46   570.000  1.229
   45    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   47    48   656.000  1.250
   47    49   656.000  1.250
   41    43   355.000  1.315
   43    44   434.000  1.010
   43    50   481.000  1.340
   50    54   469.000  1.400
   50    64   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   225.000  1.779
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   61    62   735.000  1.471
   61    63   735.000  1.471
   61    66   220.000  1.729
   66    67   434.000  1.010
   66    68   481.000  1.340
   68    69   469.000  1.400
   68    77   483.000  1.339
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   483.000  1.339
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  114.43000
   29    33    51    75.00000  111.63000
   33    38    39    55.00000  127.86000
   33    38    41    65.00000  122.16000
   33    51    45    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   38    33    34    45.00000  110.40700
   38    39    40    35.00000  118.70300
   38    39    42    70.00000  117.49700
   38    41    43    85.00000  114.46500
   39    42    45    65.00000  118.96000
   39    42    47    55.00000  124.75400
   42    39    40    35.00000  120.00000
   42    45    46    80.00000  123.72100
   42    45    51    65.00000  118.62400
   42    47    48    85.00000  113.83300
   42    47    49    85.00000  113.83300
   45    51    52    35.00000  109.50000
   45    51    53    35.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    75.00000  111.15500
   51    45    46    80.00000  120.40000
   53    51    52    33.00000  107.80000
   47    42    45    55.00000  123.68000
   49    47    48    80.00000  126.00000
   41    38    39    65.00000  123.49500
   41    43    44    50.00000  117.11400
   41    43    50    75.00000  120.05000
   43    50    54    70.00000  120.10000
   43    50    64    70.00000  120.10000
   50    43    44    35.00000  113.50000
   50    54    55    35.00000  120.00000
   50    54    56    63.00000  120.00000
   50    64    59    63.00000  120.00000
   50    64    65    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    65.00000  117.06700
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    64    63.00000  120.00000
   58    61    62   100.00000  107.67100
   58    61    63   100.00000  107.67100
   58    61    66    90.00000  101.56900
   59    64    65    35.00000  120.00000
   64    50    54    63.00000  120.00000
   64    59    60    35.00000  120.00000
   61    58    59    65.00000  117.06700
   61    66    67    35.00000  114.50000
   61    66    68    85.28000  125.46500
   63    61    62   115.00000  120.17200
   66    61    62   115.00000  105.11000
   66    61    63   115.00000  105.11000
   66    68    69    70.00000  120.10000
   66    68    77    80.00000  117.25000
   68    66    67    35.00000  113.50000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    77    75    70.00000  117.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   77    68    69    70.00000  124.00000
   77    75    76    35.00000  116.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.00000  1.0 1.0
   29    33    51    45   0.56750  1.0 1.0
   29    33    51    45  -0.07550 -1.0 2.0
   29    33    51    45   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    42   0.69550 -1.0 2.0
   33    38    41    43   6.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    45  -0.11250  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    53   0.15000  1.0 3.0
   38    33    51    45  -0.98800  1.0 1.0
   38    33    51    45   0.48800 -1.0 2.0
   38    33    51    45   0.76800  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.15000  1.0 3.0
   38    39   -42    45   7.00000 -1.0 2.0
   38    39    42    47   7.00000 -1.0 2.0
   38    41    43    44   2.00000 -1.0 2.0
   38    41    43    50   2.00000 -1.0 2.0
   39    38    41    43   6.00000 -1.0 2.0
   39    42    45    46   1.00000 -1.0 2.0
   39    42    45    51  -0.33500  1.0 1.0
   39    42    45    51   1.06600 -1.0 2.0
   39    42    45    51  -0.14000  1.0 3.0
   39    42    47    48  -0.04000 -1.0 2.0
   39    42    47    48  -0.29050  1.0 3.0
   39    42    47    49  -0.04000 -1.0 2.0
   39    42    47    49  -0.29050  1.0 3.0
   40    39    42    45   7.00000 -1.0 2.0
   40    39    42    47   7.00000 -1.0 2.0
   42    45   -51    33   0.65300  1.0 1.0
   42    45   -51    33  -0.03850 -1.0 2.0
   42    45   -51    33   0.33900  1.0 3.0
   42    45    51    52   0.00000  1.0 1.0
   42    45    51    53   0.00000  1.0 1.0
   45    42    47    48   1.68800 -1.0 2.0
   45    42    47    49   1.68800 -1.0 2.0
   46    45    51    33   0.30150 -1.0 2.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.00000  1.0 1.0
   47    42    45    46   2.50000 -1.0 2.0
   47    42    45    51   1.50000 -1.0 2.0
   41    38    39    40   1.00600 -1.0 2.0
   41    38    39    42   1.09650  1.0 1.0
   41    38    39    42   0.48950 -1.0 2.0
   41    38    39    42   0.49400  1.0 3.0
   41    43    50    54   0.75000 -1.0 2.0
   41    43    50    64   0.75000 -1.0 2.0
   43    50    54    55   3.62500 -1.0 2.0
   43    50    54    56   3.62500 -1.0 2.0
   43    50    64    59   3.62500 -1.0 2.0
   43    50    64    65   3.62500 -1.0 2.0
   44    43    50    54   1.00000 -1.0 2.0
   44    43    50    64   1.00000 -1.0 2.0
   50    54    56    57   3.62500 -1.0 2.0
   50    54    56    58   3.62500 -1.0 2.0
   54    50    64    59   3.62500 -1.0 2.0
   54    50    64    65   3.62500 -1.0 2.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    56    58    61   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    64   3.62500 -1.0 2.0
   56    58    61    62   0.19500  1.0 1.0
   56    58    61    62   0.12000 -1.0 2.0
   56    58    61    63   0.19500  1.0 1.0
   56    58    61    63   0.12000 -1.0 2.0
   56    58    61    66  -0.25000 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59   -64    50   3.62500 -1.0 2.0
   58    59    64    65   3.62500 -1.0 2.0
   58    61    66    67   0.00000  1.0 1.0
   58    61    66    68  -1.00000  1.0 1.0
   58    61    66    68   0.50000  1.0 3.0
   59    58    61    62   0.19500  1.0 1.0
   59    58    61    62   0.12000 -1.0 2.0
   59    58    61    63   0.19500  1.0 1.0
   59    58    61    63   0.12000 -1.0 2.0
   59    58    61    66  -0.25000 -1.0 2.0
   60    59    64    50   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   64    50    54    55   3.62500 -1.0 2.0
   64    50   -54    56   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    64   3.62500 -1.0 2.0
   61    66    68    69   0.75000 -1.0 2.0
   61    66    68    77   0.96250 -1.0 2.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    68   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   66    68    69    70   3.62500 -1.0 2.0
   66    68    69    71   3.62500 -1.0 2.0
   66    68    77    75   3.62500 -1.0 2.0
   67    66    68    69   1.00000 -1.0 2.0
   67    66    68    77   1.75000 -1.0 2.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    77    75   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    68   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    68   3.62500 -1.0 2.0
   77    68    69    70   3.62500 -1.0 2.0
   77    68   -69    71   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  10.50000 -1.0 2.0
   38    40    39    42   1.10000 -1.0 2.0
   45    47    42    39   1.10000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   48    42    47    49  10.50000 -1.0 2.0
   44    50    43    41   1.00000 -1.0 2.0
   54    64    50    43   4.00000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   64    60    59    58   1.10000 -1.0 2.0
   59    65    64    50   1.10000 -1.0 2.0
   67    61    66    68   1.00000 -1.0 2.0
   69    77    68    66   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
END
