* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    28.06700    97.44340   -23.15239
    2     1 S   H    _HN1     2     1.02958    70.43345     3.47654
    3     1 S   H    _H1_     3     1.02835    39.48259   160.51751
    4     1 S   H    _H2_     4     1.02776   106.09906  -100.70436
    5     1 S   CT   _CA1     5     1.50134   138.42797   102.47688
    6     5 S   HC   _HA1     6     1.09575   105.21089    94.40114
    7     5 S   CO3  _C1_     7     1.53783   112.36427   -25.78750
    8     7 S   O2Z  _O11     8     1.26367   114.99286   -43.70859
    9     7 S   O2Z  _O12     9     1.26234   114.93072   135.37217
   10     5 S   CT   _CB1    10     1.53093   107.41938  -147.68625
   11    10 S   HC   HB11    11     1.09828   109.32863   -50.41358
   12    10 S   HC   HB12    12     1.09816   110.42701    66.14112
   13    10 S   CT   _CG1    13     1.53021   112.68039  -171.47813
   14    13 S   HC   HG11    14     1.09593   110.50423   -64.57599
   15    13 S   HC   HG12    15     1.09658   109.90930    54.63219
   16    13 S   C    _CD1    16     1.51844   112.29980   175.00221
   17    16 S   O    _OE1    17     1.22751   123.28537     1.00405
   18    16 S   N    _N2_    18     1.38569   111.72995  -179.02723
   19    18 S   H    _HN2    19     1.01560   119.01783     4.50798
   20    18 S   CT1  _CA2    20     1.45845   122.85296   177.74727
   21    20 S   HC   _HA2    21     1.09723   108.93699    23.94008
   22    20 S   C    _C2_    22     1.52901   106.88666   -93.17741
   23    22 S   O    _O2_    23     1.22988   122.98469   -28.37377
   24    20 S   CT   _CB2    32     1.53184   112.25230   147.12582
   25    24 S   HC   HB21    33     1.09602   110.22625    54.36697
   26    24 S   HC   HB22    34     1.09478   110.02075   173.34371
   27    22 S   N    _N3_    24     1.38482   112.61975   154.39545
   28    27 S   H    _HN3    25     1.01662   120.39396    -2.03702
   29    24 S   S    _SG2    35     1.82629   111.11252   -66.35245
   30    27 S   CT   _CA3    26     1.45359   122.43022   178.60787
   31    30 S   HC   HA31    27     1.09571   107.69290   -58.00228
   32    30 S   HC   HA32    28     1.09567   107.70949    58.31105
   33    29 S   CT   _C23    36     1.82291    99.67607   173.04971
   34    33 S   HC   _H3_    37     1.09640   110.05297   -47.41076
   35    30 S   CO3  _C3_    29     1.52884   114.36596  -179.87967
   36    35 S   O2Z  _O31    30     1.26327   116.06966    -1.63566
   37    35 S   O2Z  _O32    31     1.26442   114.40437   178.38238
   38    33 S   CM   _C18    38     1.48936   111.28747    73.35361
   39    38 S   HC   _H34    39     1.09215   113.96965   -78.37460
   40    38 S   CMA  _C19    40     1.35272   128.78327   104.38687
   41    40 S   OM   _O23    41     1.26652   124.35054   177.29817
   42    40 S   CA   _C10    42     1.52057   114.41983    -2.79239
   43    42 S   CA   _C8_    43     1.40487   121.03343    13.88057
   44    43 S   CA   _C4_    44     1.40483   122.04746   177.36003
   45    44 S   HA   _H30    45     1.08858   119.84622   179.71061
   46    33 S   CO4  _C22    76     1.50754   107.95219  -163.41666
   47    46 S   O    _O26    77     1.22937   121.65951    79.79206
   48    44 S   CA   _C12    46     1.39874   121.19524     0.61134
   49    48 S   CA   _C7_    47     1.40917   119.03509     0.43566
   50    48 S   CT   _C24    72     1.50545   118.96104   179.10649
   51    50 S   HC   _H36    73     1.09425   110.73809   123.47632
   52    50 S   HC   _H37    74     1.09451   110.37215  -115.02565
   53    50 S   HC   _H38    75     1.09538   111.52326     4.34203
   54    49 S   CA   _C6_    48     1.48474   121.12751   179.87805
   55    42 S   CA   _C15    69     1.42051   123.14113  -167.66156
   56    54 S   CA   _C9_    49     1.42695   122.48948   -89.95999
   57    55 S   OH   _O28    70     1.38041   121.46351     2.85362
   58    57 S   HO   _H43    71     0.97509   107.71344    -3.03286
   59    56 S   CA   _C11    50     1.40981   120.07857  -179.29390
   60    59 S   CA   _C14    51     1.40195   119.60638    -0.11014
   61    59 S   CO4  _C21    61     1.48336   120.67867   179.68973
   62    61 S   O    _O25    62     1.22589   121.98716   179.11818
   63    60 S   CA   _C5_    52     1.39046   120.77620     0.26095
   64    63 S   HA   _H31    53     1.08821   119.19873   179.61033
   65    60 S   OH   _O27    59     1.37000   123.86757  -179.93147
   66    65 S   HO   _H42    60     0.97354   109.17269     0.11869
   67    61 S   CM   _C17    63     1.46908   118.52005    -1.01568
   68    67 S   HC   _H33    64     1.08432   117.58275  -179.04879
   69    54 S   CA   _C13    54     1.42167   118.56657    90.92429
   70    67 S   CM   _C16    65     1.32947   121.39068     1.12257
   71    70 S   HC   _H32    66     1.08493   120.61444   179.77794
   72    69 S   CT   _C25    55     1.50900   121.98592     0.23407
   73    72 S   HC   _H39    56     1.09417   110.76032   -58.58732
   74    72 S   HC   _H40    57     1.09443   110.44338    63.19620
   75    72 S   HC   _H41    58     1.09553   111.50997  -177.62529
   76    56 S   CO4  _C20    67     1.49662   121.31453     0.68528
   77    76 S   O    _O24    68     1.22466   123.71390     1.83760
  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
  10   6   2   1   1   8   4   8   3  11   9  11   4   3   1  10
  14   5   2   1   1  16   4  13   1   1  13  10   8   3   8   3
   2   1   5   3   5   3   2   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47  
   38    39    40    43    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    55    46    47  
   40    41    42    46  
   41    42    43    44    49    55    57    46  
   42    43    55  
   43    44    45    48    49    54    55    57    58    46    47  
   44    45    48    49    55    57    50    46    47  
   45    48    49    54    55    50    51    52    53    46    47  
   48    49    50    46  
   47    48    55  
    0  
   49    54    56    69    55    57    50    51    52    53  
   54    56    59    63    69    72    76    55    57    58    50    51    52    53  
   51    52    53    54    55  
   52    53  
   53  
    0  
   56    59    60    63    64    69    72    73    74    75    61    70    76    77    55    57  
   57    58    56    69  
   59    60    63    69    72    65    61    62    67    70    71    76    77  
   58  
    0  
   60    63    64    69    65    66    61    62    67    68    70    76    77  
   63    64    69    72    65    66    61    62    67    76  
   62    67    68    70    71    76    63    65  
   67    68    70  
   64    69    72    73    74    75    65    66  
   69    72    65  
   66    69  
    0  
   68    70    71    76    77  
   70    71    76  
   72    73    74    75    76  
   71    76    77  
   76    77  
   73    74    75  
   74    75  
   75  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    46   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    55   469.000  1.400
   43    44   469.000  1.400
   43    46   310.000  1.470
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   469.000  1.400
   48    50   317.000  1.510
   49    54   375.000  1.464
   49    55   469.000  1.400
   54    56   469.000  1.400
   54    69   469.000  1.400
   56    59   469.000  1.400
   56    76   310.000  1.470
   59    60   469.000  1.400
   59    61   310.000  1.470
   60    63   469.000  1.400
   60    65   450.000  1.364
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
   61    62   570.000  1.229
   61    67   320.000  1.462
   67    68   340.000  1.080
   67    70   549.000  1.340
   70    71   340.000  1.080
   70    76   320.000  1.462
   76    77   570.000  1.229
   55    57   450.000  1.364
   57    58   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   46    47   570.000  1.229
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  112.20000
   29    33    46    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    43    65.00000  115.47100
   33    46    47    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    55    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  119.52600
   42    55    49    63.00000  120.00000
   42    55    57    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    75.00000  123.78400
   44    48    49    63.00000  120.00000
   44    48    50    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    49    54    60.00000  122.76000
   48    49    55    63.00000  120.00000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    53    35.00000  109.50000
   49    54    56    60.00000  122.76000
   49    54    69    60.00000  122.76000
   49    55    57    70.00000  120.00000
   54    56    59    63.00000  120.00000
   54    56    76    60.00000  119.52600
   54    69    63    63.00000  120.00000
   54    69    72    70.00000  120.00000
   56    59    60    63.00000  120.00000
   56    59    61    60.00000  119.52600
   56    76    70    65.00000  117.02400
   56    76    77    75.00000  123.78400
   59    60    63    63.00000  120.00000
   59    60    65    70.00000  120.00000
   59    61    62    75.00000  123.78400
   59    61    67    65.00000  117.02400
   60    63    64    35.00000  120.00000
   60    63    69    63.00000  120.00000
   60    65    66    35.00000  113.00000
   63    69    72    70.00000  120.00000
   69    54    56    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    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
   65    60    63    70.00000  120.00000
   61    59    60    60.00000  119.52600
   61    67    68    40.00000  117.72500
   61    67    70    65.00000  118.96000
   67    61    62    80.00000  123.72100
   67    70    71    35.00000  120.00000
   67    70    76    65.00000  118.96000
   70    67    68    35.00000  120.00000
   70    76    77    80.00000  123.72100
   76    56    59    60.00000  119.52600
   76    70    71    40.00000  117.72500
   55    42    43    63.00000  120.00000
   55    49    54    60.00000  122.76000
   55    57    58    35.00000  113.00000
   50    48    49    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  109.06800
   46    43    44    60.00000  119.52600
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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    43   0.65300  1.0 1.0
   29    33    46    43  -0.03850 -1.0 2.0
   29    33    46    43   0.33900  1.0 3.0
   29    33    46    47   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    43   0.00000  1.0 1.0
   34    33    46    47   0.00000  1.0 1.0
   38    33    46    43   0.65300  1.0 1.0
   38    33    46    43  -0.03850 -1.0 2.0
   38    33    46    43   0.33900  1.0 3.0
   38    33    46    47   0.30150 -1.0 2.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    55   0.15800  1.0 1.0
   38    40    42    55   1.85350 -1.0 2.0
   38    40    42    55  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    55    49   3.62500 -1.0 2.0
   40    42    55    57   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    55  -0.01750  1.0 1.0
   41    40    42    55  -0.32000 -1.0 2.0
   41    40    42    55   0.00600  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43   -46    33   2.26350  1.0 1.0
   42    43   -46    33   0.76750 -1.0 2.0
   42    43   -46    33   0.22500  1.0 3.0
   42    43    46    47   1.05000 -1.0 2.0
   42    55    57    58   0.84100 -1.0 2.0
   43    42    55    49   3.62500 -1.0 2.0
   43    42    55    57   3.62500 -1.0 2.0
   43    44   -48    49   3.62500 -1.0 2.0
   43    44    48    50   3.62500 -1.0 2.0
   44    43    46    33   2.26350  1.0 1.0
   44    43    46    33   0.76750 -1.0 2.0
   44    43    46    33   0.22500  1.0 3.0
   44    43    46    47   1.05000 -1.0 2.0
   44    48    49    54   3.62500 -1.0 2.0
   44    48    49    55   3.62500 -1.0 2.0
   44    48    50    51   0.00000  1.0 1.0
   44    48    50    52   0.00000  1.0 1.0
   44    48    50    53   0.00000  1.0 1.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    50   3.62500 -1.0 2.0
   48    49    54    56  -0.19450  1.0 1.0
   48    49    54    56   0.63300 -1.0 2.0
   48    49    54    56   0.07450  1.0 3.0
   48    49    54    69  -0.19450  1.0 1.0
   48    49    54    69   0.63300 -1.0 2.0
   48    49    54    69   0.07450  1.0 3.0
   48    49   -55    42   3.62500 -1.0 2.0
   48    49    55    57   3.62500 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    53   0.00000  1.0 1.0
   49    54    56    59   3.62500 -1.0 2.0
   49    54    56    76   3.62500 -1.0 2.0
   49    54    69    63   3.62500 -1.0 2.0
   49    54    69    72   3.62500 -1.0 2.0
   49    55    57    58   0.84100 -1.0 2.0
   54    49    55    42   3.62500 -1.0 2.0
   54    49    55    57   3.62500 -1.0 2.0
   54    56    59    60   3.62500 -1.0 2.0
   54    56    59    61   3.62500 -1.0 2.0
   54    56    76    70  -0.11500  1.0 1.0
   54    56    76    70   1.10450 -1.0 2.0
   54    56    76    70  -0.48050  1.0 3.0
   54    56    76    77   1.05000 -1.0 2.0
   54    69    72    73   0.00000  1.0 1.0
   54    69    72    74   0.00000  1.0 1.0
   54    69    72    75   0.00000  1.0 1.0
   56    54    69    63   3.62500 -1.0 2.0
   56    54    69    72   3.62500 -1.0 2.0
   56    59   -60    63   3.62500 -1.0 2.0
   56    59    60    65   3.62500 -1.0 2.0
   56    59    61    62   1.05000 -1.0 2.0
   56    59    61    67  -0.11500  1.0 1.0
   56    59    61    67   1.10450 -1.0 2.0
   56    59    61    67  -0.48050  1.0 3.0
   59    56    76    70  -0.11500  1.0 1.0
   59    56    76    70   1.10450 -1.0 2.0
   59    56    76    70  -0.48050  1.0 3.0
   59    56    76    77   1.05000 -1.0 2.0
   59    60    63    64   3.62500 -1.0 2.0
   59    60    63    69   3.62500 -1.0 2.0
   59    60    65    66   0.84100 -1.0 2.0
   59    61    67    68   1.64500 -1.0 2.0
   59    61   -67    70  -1.65800  1.0 1.0
   59    61   -67    70   0.77650 -1.0 2.0
   60    59    61    62   1.05000 -1.0 2.0
   60    59    61    67  -0.11500  1.0 1.0
   60    59    61    67   1.10450 -1.0 2.0
   60    59    61    67  -0.48050  1.0 3.0
   60    63   -69    54   3.62500 -1.0 2.0
   60    63    69    72   3.62500 -1.0 2.0
   63    60    65    66   0.84100 -1.0 2.0
   63    69    72    73   0.00000  1.0 1.0
   63    69    72    74   0.00000  1.0 1.0
   63    69    72    75   0.00000  1.0 1.0
   64    63    69    54   3.62500 -1.0 2.0
   64    63    69    72   3.62500 -1.0 2.0
   69    54   -56    59   3.62500 -1.0 2.0
   69    54    56    76   3.62500 -1.0 2.0
   65    60    63    64   3.62500 -1.0 2.0
   65    60    63    69   3.62500 -1.0 2.0
   61    59    60    63   3.62500 -1.0 2.0
   61    59    60    65   3.62500 -1.0 2.0
   61    67    70    71   7.00000 -1.0 2.0
   61    67    70    76   7.00000 -1.0 2.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    70   1.00000 -1.0 2.0
   67    70   -76    56  -1.65800  1.0 1.0
   67    70   -76    56   0.77650 -1.0 2.0
   67    70    76    77   1.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    76   7.00000 -1.0 2.0
   71    70    76    56   1.64500 -1.0 2.0
   71    70    76    77   0.00000  1.0 1.0
   76    56    59    60   3.62500 -1.0 2.0
   76    56   -59    61   3.62500 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    46   3.62500 -1.0 2.0
   55    49    54    56  -0.19450  1.0 1.0
   55    49    54    56   0.63300 -1.0 2.0
   55    49    54    56   0.07450  1.0 3.0
   55    49    54    69  -0.19450  1.0 1.0
   55    49    54    69   0.63300 -1.0 2.0
   55    49    54    69   0.07450  1.0 3.0
   50    48    49    54   3.62500 -1.0 2.0
   50    48    49    55   3.62500 -1.0 2.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.51250  1.0 1.0
   46    33   -38    40  -0.88800 -1.0 2.0
   46    33   -38    40   0.08850  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    55    42    40   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   49    50    48    44   4.00000 -1.0 2.0
   54    55    49    48   4.00000 -1.0 2.0
   56    69    54    49   4.00000 -1.0 2.0
   59    76    56    54   4.00000 -1.0 2.0
   60    61    59    56   4.00000 -1.0 2.0
   63    65    60    59   4.00000 -1.0 2.0
   69    64    63    60   1.10000 -1.0 2.0
   63    72    69    54   4.00000 -1.0 2.0
   59    67    61    62  10.50000 -1.0 2.0
   61    68    67    70   1.10000 -1.0 2.0
   76    71    70    67   1.10000 -1.0 2.0
   56    70    76    77  10.50000 -1.0 2.0
   49    57    55    42   4.00000 -1.0 2.0
   33    43    46    47  10.50000 -1.0 2.0
END
