* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    247     462
    1     0 S   NP   _N1_     1    29.20842    93.49040   -23.83034
    2     1 S   H    _HN1     2     1.02960    83.49610    29.52199
    3     1 S   H    _H1_     3     1.02840    25.39944  -172.44038
    4     1 S   H    _H2_     4     1.02774   107.62272   -77.70191
    5     1 S   CT   _CA1     5     1.50121   129.88288   140.72155
    6     5 S   HC   _HA1     6     1.09575   105.22663    78.75514
    7     5 S   CO3  _C1_     7     1.53779   112.38469   -41.43755
    8     7 S   O2Z  _O11     8     1.26357   114.99641   -43.62383
    9     7 S   O2Z  _O12     9     1.26237   114.92086   135.53225
   10     5 S   CT   _CB1    10     1.53096   107.44345  -163.33475
   11    10 S   HC   HB11    11     1.09828   109.32442   -50.84717
   12    10 S   HC   HB12    12     1.09822   110.42414    65.69550
   13    10 S   CT   _CG1    13     1.53027   112.67788  -171.95802
   14    13 S   HC   HG11    14     1.09593   110.44623   -64.08201
   15    13 S   HC   HG12    15     1.09651   109.98621    55.16310
   16    13 S   C    _CD1    16     1.51794   112.28571   175.49998
   17    16 S   O    _OE1    17     1.22714   123.16458    -1.60352
   18    16 S   N    _N2_    18     1.38614   111.67145   178.53527
   19    18 S   H    _HN2    19     1.01581   119.04170     0.25944
   20    18 S   CT1  _CA2    20     1.46083   123.33304   179.98022
   21    20 S   HC   _HA2    21     1.09343   109.12026   -13.98096
   22    20 S   C    _C2_    22     1.53188   107.85905  -128.45452
   23    22 S   O    _O2_    23     1.22951   122.66877  -138.45572
   24    20 S   CT   _CB2    32     1.53206   111.87281   108.65492
   25    24 S   HC   HB21    33     1.09666   109.50196    56.66213
   26    24 S   HC   HB22    34     1.09474   111.18830   173.68242
   27    22 S   N    _N3_    24     1.38627   112.86259    48.80738
   28    27 S   H    _HN3    25     1.01546   118.88061    -0.78084
   29    24 S   S    _SG2    35     1.83246   114.36972   -62.70222
   30    27 S   CT   _CA3    26     1.45329   123.15086   173.25573
   31    30 S   HC   HA31    27     1.09524   109.15125    29.75030
   32    30 S   HC   HA32    28     1.09481   107.31341   146.88793
   33    29 S   CT   _C14    36     1.84560   100.89407   -67.52709
   34    33 S   HC   _H8_    37     1.09217   105.99429    53.37098
   35    30 S   CO3  _C3_    29     1.52782   112.53629   -93.41358
   36    35 S   O2Z  _O31    30     1.26455   115.33066   -51.49117
   37    35 S   O2Z  _O32    31     1.26302   115.32520   128.80458
   38    33 S   CA   _C15    38     1.52194   110.58319   168.97161
   39    33 S   CM   _C13    49     1.51258   109.88388   -66.32473
   40    39 S   HC   _H18    50     1.09189   115.28195   -57.17140
   41    38 S   CA   _C16    39     1.40497   119.45249  -114.89736
   42    41 S   HA   _H19    40     1.08745   120.37739     0.08156
   43    39 S   CMA  _C12    51     1.35639   127.22186   122.20735
   44    43 S   OM   _O34    52     1.26773   123.12648  -179.50032
   45    41 S   CA   _C17    41     1.39616   120.81286  -179.95577
   46    45 S   HA   _H20    42     1.08618   119.91224   180.00000
   47    43 S   OS   _O33    53     1.41508   111.46472     0.67260
   48    45 S   CA   _C18    43     1.39268   120.07394     0.01978
   49    48 S   HA   _H21    44     1.08601   120.05855   179.98022
   50    47 S   CT   _C10    54     1.43375   118.41012  -178.56441
   51    50 S   HC   _H7_    55     1.09788   109.50281   -34.72268
   52    48 S   CA   _C19    45     1.39287   119.89095    -0.00000
   53    52 S   HA   _H22    46     1.08624   119.99010  -180.00000
   54    50 S   CT   _C11    56     1.54068   111.28692    85.56434
   55    54 S   HC   _H16    57     1.09672   109.77450    43.01317
   56    54 S   HC   _H17    58     1.09638   109.51413   -72.15293
   57    50 S   CT   _C9_    69     1.54816   109.35277  -149.90805
   58    57 S   HC   _H6_    70     1.09969   106.36068    75.86736
   59    38 S   CA   _C20    47     1.40515   122.18607    65.15136
   60    59 S   HA   _H23    48     1.08728   120.56305    -0.14671
   61    54 S   CT   _C5_    59     1.53657   112.59104   165.94262
   62    61 S   HC   _H4_    60     1.09434   111.30266  -179.90513
   63    57 S   CO4  _C21    71     1.52125   113.01241   -40.31824
   64    63 S   O    _O35    72     1.22331   124.52129   -46.13683
   65    61 S   CT   _C6_    61     1.53116   113.05733    50.97298
   66    65 S   HC   _H12    62     1.09653   110.25433   154.28592
   67    65 S   HC   _H13    63     1.09491   112.49312    35.11614
   68    63 S   OS   _O36    73     1.36461   109.77636   135.87607
   69    65 S   CT   _C7_    64     1.53501   105.67397   -87.59339
   70    69 S   HC   _H14    65     1.09495   112.08779   123.76064
   71    69 S   HC   _H15    66     1.09651   109.51059  -117.95993
   72    68 S   CT   _C22    74     1.43032   115.25611   178.86254
   73    72 S   HC   _H24    75     1.09326   108.08604  -176.15666
   74    72 S   HC   _H25    76     1.09323   110.10235    65.30581
   75    72 S   HC   _H26    77     1.09431   110.55140   -57.40188
   76    69 S   CT   _C8_    67     1.53349   105.62133     0.78981
   77    76 S   HC   _H5_    68     1.09531   113.37752  -144.57017
   78    61 S   NP   _N4_    78     1.51440   106.45203   -60.95023
   79    78 S   H    _H3_    79     1.03418   109.11538   -43.04708
   80    78 S   CT   _C4_    80     1.50253   114.76144  -160.70517
   81    80 S   HC   _H9_    81     1.09207   109.88886   -62.16501
   82    80 S   HC   _H10    82     1.09209   108.09294    58.38730
   83    80 S   HC   _H11    83     1.09291   107.54803   177.27703
  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   6   3  10   5
   3  16   8   3   2  15   6   5  15   7   1   1  15   8  10   3
  10   6   5   5   7   4   3   3   2   1   1   7   3   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    52    53    59    60    39    40    43  
   40    43    44    47    50    41    59  
   43    44    47  
   42    45    46    48    49    52    59    60  
   45    46    48    59  
   44    47    50    51    54    57  
   47    50  
   46    48    49    52    53    59  
   48    49    52  
   50    51    54    55    56    61    76    57    58    63  
   49    52    53    59    60  
   52    53    59  
   51    54    55    56    61    62    65    69    76    77    57    58    63    64    68    78  
   54    55    56    61    76    57    58    63  
   53    59    60  
   59    60  
   55    56    61    62    65    66    67    69    76    57    58    63    78    79    80  
   56    61    62    65    57    78  
   61    62    65    57    78  
   58    63    64    68    72    78    79    80    61    65    69    70    71    76    77  
   63    64    68    78    69    76    77  
   60  
    0  
   62    65    66    67    69    70    71    76    77    78    79    80    81    82    83  
   65    66    67    69    76    78    79    80  
   64    68    72    73    74    75    78    69    76    77  
   68    72    76  
   66    67    69    70    71    76    77    78    79    80  
   67    69    70    71    76    78  
   69    70    71    76    78  
   72    73    74    75    76  
   70    71    76    77    78    79    80  
   71    76    77    78  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   79   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    60   367.000  1.080
   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    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    78   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    57   268.000  1.529
   76    78   367.000  1.471
   57    58   340.000  1.090
   57    63   317.000  1.522
   63    64   570.000  1.229
   63    68   214.000  1.327
   68    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   78    79   434.000  1.010
   78    80   367.000  1.471
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    52    63.00000  120.00000
   38    59    60    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    49    35.00000  120.00000
   45    48    52    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    59    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    59    60    35.00000  120.00000
   59    38    41    63.00000  120.00000
   59    52    53    35.00000  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    50    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    54    50.00000  109.50000
   47    50    57    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    61    58.35000  112.70000
   50    57    76    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    63    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    65    58.35000  112.70000
   54    61    78    80.00000  111.20000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    69    58.35000  112.70000
   61    78    76    75.00000  113.01200
   61    78    79    35.00000  109.50000
   61    78    80    75.00000  113.01200
   65    61    62    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    76    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    57    58.35000  112.70000
   69    76    78    80.00000  111.20000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    57    58    37.50000  110.70000
   76    57    63    63.00000  111.10000
   76    78    79    35.00000  109.50000
   76    78    80    75.00000  113.01200
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    76    77    37.50000  110.70000
   57    63    64    80.00000  120.40000
   57    63    68    81.00000  111.40000
   63    57    58    35.00000  109.50000
   63    68    72    83.00000  116.90000
   68    63    64    83.00000  123.40000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   78    61    62    35.00000  109.50000
   78    61    65    80.00000  111.20000
   78    76    77    35.00000  109.50000
   78    76    57    80.00000  111.20000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   80    78    79    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    52   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    59    52   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    52   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    52    53   3.62500 -1.0 2.0
   45    48    52    59   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    52   -59    38   3.62500 -1.0 2.0
   48    52    59    60   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    59   3.62500 -1.0 2.0
   53    52    59    38   3.62500 -1.0 2.0
   53    52    59    60   3.62500 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    50  -2.26850  1.0 1.0
   39    43    47    50   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    50    51   0.08050  1.0 3.0
   43    47    50    54  -0.46850  1.0 1.0
   43    47    50    54   0.09300 -1.0 2.0
   43    47    50    54  -0.12850  1.0 3.0
   43    47    50    57  -0.46850  1.0 1.0
   43    47    50    57   0.09300 -1.0 2.0
   43    47    50    57  -0.12850  1.0 3.0
   44    43    47    50   2.00000 -1.0 2.0
   47    50    54    55   0.23400  1.0 3.0
   47    50    54    56   0.23400  1.0 3.0
   47    50    54    61   0.62750  1.0 1.0
   47    50    54    61  -0.30950 -1.0 2.0
   47    50    54    61   0.27300  1.0 3.0
   47    50    57    76   0.62750  1.0 1.0
   47    50    57    76  -0.30950 -1.0 2.0
   47    50    57    76   0.27300  1.0 3.0
   47    50    57    58   0.23400  1.0 3.0
   47    50    57    63  -0.09450  1.0 1.0
   47    50    57    63  -1.12950 -1.0 2.0
   47    50    57    63   0.54000  1.0 3.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    65   0.56750  1.0 1.0
   50    54    61    65  -0.07550 -1.0 2.0
   50    54    61    65   0.20000  1.0 3.0
   50    54    61    78   1.36600  1.0 1.0
   50    54    61    78  -0.11450 -1.0 2.0
   50    54    61    78   0.24250  1.0 3.0
   50    57    63    64   0.30150 -1.0 2.0
   50    57    63    68   0.36750  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    61   0.15000  1.0 3.0
   51    50    57    76   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    63  -0.11250  1.0 3.0
   54    50    57    76   0.56750  1.0 1.0
   54    50    57    76  -0.07550 -1.0 2.0
   54    50    57    76   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    63  -0.95700  1.0 1.0
   54    50    57    63  -0.18200 -1.0 2.0
   54    50    57    63   0.29450  1.0 3.0
   54    61    65    66   0.15000  1.0 3.0
   54    61    65    67   0.15000  1.0 3.0
   54    61    65    69   0.56750  1.0 1.0
   54    61    65    69  -0.07550 -1.0 2.0
   54    61    65    69   0.20000  1.0 3.0
   54    61   -78    76   0.47100  1.0 1.0
   54    61    78    79   0.17350  1.0 3.0
   54    61    78    80   0.47100  1.0 1.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    65   0.15000  1.0 3.0
   55    54    61    78   0.19200  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    65   0.15000  1.0 3.0
   56    54    61    78   0.19200  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    71   0.15000  1.0 3.0
   61    65   -69    76   0.56750  1.0 1.0
   61    65   -69    76  -0.07550 -1.0 2.0
   61    65   -69    76   0.20000  1.0 3.0
   61    78    80    81   0.15000  1.0 3.0
   61    78    80    82   0.15000  1.0 3.0
   61    78    80    83   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    78    76   0.15000  1.0 3.0
   62    61    78    79   0.13050  1.0 3.0
   62    61    78    80   0.15000  1.0 3.0
   65    61   -78    76   0.47100  1.0 1.0
   65    61    78    79   0.17350  1.0 3.0
   65    61    78    80   0.47100  1.0 1.0
   65    69    76    77   0.15000  1.0 3.0
   65    69    76    57   0.56750  1.0 1.0
   65    69    76    57  -0.07550 -1.0 2.0
   65    69    76    57   0.20000  1.0 3.0
   65    69   -76    78   1.36600  1.0 1.0
   65    69   -76    78  -0.11450 -1.0 2.0
   65    69   -76    78   0.24250  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    76   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    71   0.15000  1.0 3.0
   67    65    69    76   0.15000  1.0 3.0
   69    76    57    50   0.56750  1.0 1.0
   69    76    57    50  -0.07550 -1.0 2.0
   69    76    57    50   0.20000  1.0 3.0
   69    76    57    58   0.15000  1.0 3.0
   69    76    57    63  -0.95700  1.0 1.0
   69    76    57    63  -0.18200 -1.0 2.0
   69    76    57    63   0.29450  1.0 3.0
   69    76   -78    61   0.47100  1.0 1.0
   69    76    78    79   0.17350  1.0 3.0
   69    76    78    80   0.47100  1.0 1.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    57   0.15000  1.0 3.0
   70    69    76    78   0.19200  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    57   0.15000  1.0 3.0
   71    69    76    78   0.19200  1.0 3.0
   76    57    63    64   0.30150 -1.0 2.0
   76    57    63    68   0.36750  1.0 3.0
   76    78    80    81   0.15000  1.0 3.0
   76    78    80    82   0.15000  1.0 3.0
   76    78    80    83   0.15000  1.0 3.0
   77    76    57    50   0.15000  1.0 3.0
   77    76    57    58   0.15000  1.0 3.0
   77    76    57    63  -0.11250  1.0 3.0
   77    76    78    61   0.15000  1.0 3.0
   77    76    78    79   0.13050  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    61   0.56750  1.0 1.0
   57    50    54    61  -0.07550 -1.0 2.0
   57    50    54    61   0.20000  1.0 3.0
   57    76   -78    61   0.47100  1.0 1.0
   57    76    78    79   0.17350  1.0 3.0
   57    76    78    80   0.47100  1.0 1.0
   57    63    68    72   1.63150  1.0 1.0
   57    63    68    72   2.92000 -1.0 2.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    68   0.00000  1.0 1.0
   63    68    72    73   0.08050  1.0 3.0
   63    68    72    74   0.08050  1.0 3.0
   63    68    72    75   0.08050  1.0 3.0
   64    63    68    72   3.00000 -1.0 2.0
   78    61    65    66   0.19200  1.0 3.0
   78    61    65    67   0.19200  1.0 3.0
   78    61   -65    69   1.36600  1.0 1.0
   78    61   -65    69  -0.11450 -1.0 2.0
   78    61   -65    69   0.24250  1.0 3.0
   78    76   -57    50   1.36600  1.0 1.0
   78    76   -57    50  -0.11450 -1.0 2.0
   78    76   -57    50   0.24250  1.0 3.0
   78    76    57    58   0.19200  1.0 3.0
   78    76    57    63  -1.46550  1.0 1.0
   78    76    57    63  -0.30600 -1.0 2.0
   78    76    57    63  -0.05950  1.0 3.0
   79    78    80    81   0.13050  1.0 3.0
   79    78    80    82   0.13050  1.0 3.0
   79    78    80    83   0.13050  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
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    49    48    45   1.10000 -1.0 2.0
   59    53    52    48   1.10000 -1.0 2.0
   52    60    59    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
   57    68    63    64  10.50000 -1.0 2.0
END
