* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    225     406
    1     0 S   NP   _N1_     1    28.60512    95.42482   -23.91011
    2     1 S   H    _HN1     2     1.02788   107.26751   -94.71087
    3     1 S   H    _H1_     3     1.02949    79.30313    11.37624
    4     1 S   H    _H2_     4     1.02828    29.95226   169.26934
    5     1 S   CT   _CA1     5     1.50113   132.88966   119.36556
    6     5 S   HC   _HA1     6     1.09574   105.18817    83.34637
    7     5 S   CO3  _C1_     7     1.53784   112.47577   -36.88478
    8     7 S   O2Z  _O11     8     1.26373   115.00716   -42.35392
    9     7 S   O2Z  _O12     9     1.26241   114.94470   136.76803
   10     5 S   CT   _CB1    10     1.53076   107.41808  -158.67146
   11    10 S   HC   HB11    11     1.09835   109.35917   -49.65498
   12    10 S   HC   HB12    12     1.09812   110.45638    66.95202
   13    10 S   CT   _CG1    13     1.52994   112.61100  -170.62281
   14    13 S   HC   HG11    14     1.09580   110.65332   -66.10055
   15    13 S   HC   HG12    15     1.09671   109.76426    53.13400
   16    13 S   C    _CD1    16     1.51801   112.18613   173.59345
   17    16 S   O    _OE1    17     1.22736   123.26133     8.12038
   18    16 S   N    _N2_    18     1.38638   111.68714  -171.93861
   19    18 S   H    _HN2    19     1.01580   118.97536     1.51310
   20    18 S   CT1  _CA2    20     1.46244   123.44042   177.34266
   21    20 S   HC   _HA2    21     1.09742   109.33479     4.41734
   22    20 S   C    _C2_    22     1.53636   108.68877  -110.99845
   23    22 S   O    _O2_    23     1.23059   122.32511  -148.78821
   24    20 S   CT   _CB2    32     1.53488   111.53856   126.37554
   25    24 S   HC   HB21    33     1.09488   109.46697    56.04876
   26    24 S   HC   HB22    34     1.09304   109.69784   174.53485
   27    22 S   N    _N3_    24     1.38352   113.75832    38.74543
   28    27 S   H    _HN3    25     1.01564   119.57616    -3.37179
   29    24 S   S    _SG2    35     1.83536   110.85957   -64.71836
   30    27 S   CT   _CA3    26     1.45282   123.24073   177.14439
   31    30 S   HC   HA31    27     1.09550   107.50867   -64.70246
   32    30 S   HC   HA32    28     1.09558   107.99345    51.74542
   33    29 S   CT   _C23    36     1.87682   102.24485  -174.25857
   34    30 S   CO3  _C3_    29     1.52969   114.06333   173.73337
   35    34 S   O2Z  _O31    30     1.26380   116.07333    -0.90784
   36    34 S   O2Z  _O32    31     1.26428   114.41557   179.16093
   37    33 S   CA   _C11    37     1.56632   107.43276  -175.45110
   38    33 S   CM   _C18    58     1.52407   108.78217   -50.91059
   39    38 S   HC   _H35    59     1.09297   115.57311   -29.14726
   40    37 S   CA   _C13    38     1.42411   122.59014   -83.09446
   41    38 S   CMA  _C19    60     1.35664   128.32797   151.42530
   42    41 S   OM   _O23    61     1.26605   125.48858   179.86583
   43    40 S   CA   _C4_    39     1.41140   120.14060  -174.73646
   44    43 S   HA   _H30    40     1.08962   118.88322   177.26971
   45    40 S   CT   _C25    54     1.50736   125.05390     5.58026
   46    45 S   HC   _H39    55     1.09211   110.75589   -82.50541
   47    45 S   HC   _H40    56     1.09173   111.58079    41.79287
   48    45 S   HC   _H41    57     1.09679   111.11888   158.66394
   49    41 S   CA   _C9_    62     1.51070   113.49484    -0.35936
   50    43 S   CA   _C7_    41     1.39353   121.78698    -3.77636
   51    49 S   CA   _C8_    63     1.40306   119.70067   -23.14190
   52    50 S   CA   _C10    42     1.38951   119.65187    -1.47896
   53    51 S   CA   _C5_    64     1.40223   122.50616  -175.06485
   54    53 S   HA   _H31    65     1.08749   120.27520   179.79347
   55    33 S   CO4  _C22    76     1.53571   109.61519    61.22530
   56    55 S   O    _O26    77     1.22716   125.85970    15.66636
   57    37 S   CA   _C15    43     1.42847   121.22342    94.25004
   58    52 S   CO4  _C21    46     1.48582   118.88169  -177.58143
   59    58 S   O    _O25    47     1.22543   122.04764   179.49410
   60    53 S   CA   _C12    66     1.39569   120.05522    -1.22685
   61    57 S   OH   _O28    44     1.37398   118.05596    -7.12519
   62    61 S   HO   _H43    45     0.97236   110.46792   177.10775
   63    58 S   CM   _C17    48     1.47622   118.40692    -0.67464
   64    63 S   HC   _H34    49     1.08461   117.19260  -179.71061
   65    60 S   CA   _C6_    67     1.39657   118.78070    -0.87268
   66    65 S   HA   _H32    68     1.08780   120.02978  -178.60464
   67    60 S   CT   _C24    72     1.49846   120.57878  -177.84623
   68    67 S   HC   _H36    73     1.09434   110.01098    88.18598
   69    67 S   HC   _H37    74     1.09510   110.92821  -151.31613
   70    67 S   HC   _H38    75     1.09512   110.90721   -32.30425
   71    63 S   CM   _C16    50     1.33214   121.97430     0.22814
   72    71 S   HC   _H33    51     1.08425   121.11196  -179.95154
   73    49 S   CA   _C14    69     1.41014   124.05760   159.99103
   74    50 S   CO4  _C20    52     1.47768   118.74117  -179.85065
   75    74 S   O    _O24    53     1.22493   121.95916    -2.02980
   76    73 S   OH   _O27    70     1.37264   122.74027    -4.20691
   77    76 S   HO   _H42    71     0.97577   107.33385     5.24579
  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  10   5   4   3
  16   2   1   1  19  10   4  12   8   3  12   4   5   2   1   1
  11  10   9  10  11   4   4   1   6   7   3   8   1   1   5   3
   8   3   4   2   1   1   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    57    38    39    41    51    55    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    52    57    61    45    38    39    41    42    49    51    53    55    56  
   35    36  
   36  
    0  
   40    43    44    50    52    57    61    62    58    45    46    47    48    38    39    41    51    55    56  
   39    41    42    49    51    73    55    56    40    57  
   41    42    49    55  
   43    44    50    52    57    61    74    45    46    47    48    55  
   42    49    51    53    65    73    76    55  
   49    51    73  
   44    50    52    57    58    71    74    75    45    46    47    48  
   50    52    74    45  
   46    47    48    50    57  
   47    48  
   48  
    0  
   51    53    54    60    65    66    73    76    77    55    56  
   52    57    61    58    59    63    71    72    74    75  
   53    54    60    65    73    76    67    55    56  
   57    61    62    58    59    63    64    71    74    75  
   54    60    65    66    73    67    68    69    70    55    56  
   60    65    67    55  
   56    57    60    73  
    0  
   61    62    58    59    63    74  
   59    63    64    71    72    74    61  
   63    64    71  
   65    66    73    76    67    68    69    70  
   62  
    0  
   64    71    72    74    75  
   71    72    74  
   66    73    76    77    67    68    69    70  
   73    76    67  
   68    69    70    73  
   69    70  
   70  
    0  
   72    74    75  
   74    75  
   76    77  
   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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.510
   33    55   317.000  1.522
   37    40   469.000  1.400
   37    57   469.000  1.400
   40    43   469.000  1.400
   40    45   317.000  1.510
   43    44   367.000  1.080
   43    50   469.000  1.400
   50    52   469.000  1.400
   50    74   310.000  1.470
   52    57   469.000  1.400
   52    58   310.000  1.470
   57    61   450.000  1.364
   61    62   553.000  0.945
   58    59   570.000  1.229
   58    63   320.000  1.462
   63    64   340.000  1.080
   63    71   549.000  1.340
   71    72   340.000  1.080
   71    74   320.000  1.462
   74    75   570.000  1.229
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   320.000  1.460
   49    51   469.000  1.400
   49    73   469.000  1.400
   51    53   469.000  1.400
   51    55   310.000  1.470
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    65   469.000  1.400
   60    67   317.000  1.510
   65    66   367.000  1.080
   65    73   469.000  1.400
   73    76   450.000  1.364
   76    77   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    57    70.00000  120.00000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    55    51    65.00000  115.47100
   33    55    56    80.00000  120.40000
   37    40    43    63.00000  120.00000
   37    40    45    70.00000  120.00000
   37    57    52    63.00000  120.00000
   37    57    61    70.00000  120.00000
   40    43    44    35.00000  120.00000
   40    43    50    63.00000  120.00000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    50    52    63.00000  120.00000
   43    50    74    60.00000  119.52600
   50    43    44    35.00000  120.00000
   50    52    57    63.00000  120.00000
   50    52    58    60.00000  119.52600
   50    74    71    65.00000  117.02400
   50    74    75    75.00000  123.78400
   52    57    61    70.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    63    65.00000  117.02400
   57    37    40    63.00000  120.00000
   57    61    62    35.00000  113.00000
   58    52    57    60.00000  119.52600
   58    63    64    40.00000  117.72500
   58    63    71    65.00000  118.96000
   63    58    59    80.00000  123.72100
   63    71    72    35.00000  120.00000
   63    71    74    65.00000  118.96000
   71    63    64    35.00000  120.00000
   71    74    75    80.00000  123.72100
   74    50    52    60.00000  119.52600
   74    71    72    40.00000  117.72500
   45    40    43    70.00000  120.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   38    33    37    70.00000  112.99600
   38    41    42    65.00000  137.10300
   38    41    49    60.00000  123.20500
   41    38    39    40.00000  120.50800
   41    49    51    60.00000  120.93500
   41    49    73    60.00000  120.93500
   49    41    42    85.00000  114.86500
   49    51    53    63.00000  120.00000
   49    51    55    60.00000  119.52600
   49    73    65    63.00000  120.00000
   49    73    76    70.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    60    63.00000  120.00000
   51    55    56    75.00000  123.78400
   53    60    65    63.00000  120.00000
   53    60    67    70.00000  120.00000
   60    53    54    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    73    63.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   65    73    76    70.00000  120.00000
   73    49    51    63.00000  120.00000
   73    65    66    35.00000  120.00000
   73    76    77    35.00000  113.00000
   67    60    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    33    37    70.00000  110.93000
   55    33    38    70.00000  109.06800
   55    51    53    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    57  -0.16000  1.0 1.0
   29    33    37    57  -0.03200 -1.0 2.0
   29    33    37    57   0.04500  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    55    51   0.65300  1.0 1.0
   29    33    55    51  -0.03850 -1.0 2.0
   29    33    55    51   0.33900  1.0 3.0
   29    33    55    56   0.30150 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    40    45   3.62500 -1.0 2.0
   33    37    57    52   3.62500 -1.0 2.0
   33    37    57    61   3.62500 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    41   1.44450  1.0 1.0
   37    33    38    41   0.06600 -1.0 2.0
   37    33    38    41   0.29250  1.0 3.0
   37    33    55    51   0.65300  1.0 1.0
   37    33    55    51  -0.03850 -1.0 2.0
   37    33    55    51   0.33900  1.0 3.0
   37    33    55    56   0.30150 -1.0 2.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    50   3.62500 -1.0 2.0
   37    40    45    46   0.00000  1.0 1.0
   37    40    45    47   0.00000  1.0 1.0
   37    40    45    48   0.00000  1.0 1.0
   37    57    61    62   0.84100 -1.0 2.0
   40    37    57    52   3.62500 -1.0 2.0
   40    37    57    61   3.62500 -1.0 2.0
   40    43   -50    52   3.62500 -1.0 2.0
   40    43    50    74   3.62500 -1.0 2.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    50    52    57   3.62500 -1.0 2.0
   43    50    52    58   3.62500 -1.0 2.0
   43    50    74    71  -0.11500  1.0 1.0
   43    50    74    71   1.10450 -1.0 2.0
   43    50    74    71  -0.48050  1.0 3.0
   43    50    74    75   1.05000 -1.0 2.0
   44    43    50    52   3.62500 -1.0 2.0
   44    43    50    74   3.62500 -1.0 2.0
   50    52   -57    37   3.62500 -1.0 2.0
   50    52    57    61   3.62500 -1.0 2.0
   50    52    58    59   1.05000 -1.0 2.0
   50    52    58    63  -0.11500  1.0 1.0
   50    52    58    63   1.10450 -1.0 2.0
   50    52    58    63  -0.48050  1.0 3.0
   52    50    74    71  -0.11500  1.0 1.0
   52    50    74    71   1.10450 -1.0 2.0
   52    50    74    71  -0.48050  1.0 3.0
   52    50    74    75   1.05000 -1.0 2.0
   52    57    61    62   0.84100 -1.0 2.0
   52    58    63    64   1.64500 -1.0 2.0
   52    58   -63    71  -1.65800  1.0 1.0
   52    58   -63    71   0.77650 -1.0 2.0
   57    37   -40    43   3.62500 -1.0 2.0
   57    37    40    45   3.62500 -1.0 2.0
   57    52    58    59   1.05000 -1.0 2.0
   57    52    58    63  -0.11500  1.0 1.0
   57    52    58    63   1.10450 -1.0 2.0
   57    52    58    63  -0.48050  1.0 3.0
   58    52    57    37   3.62500 -1.0 2.0
   58    52    57    61   3.62500 -1.0 2.0
   58    63    71    72   7.00000 -1.0 2.0
   58    63    71    74   7.00000 -1.0 2.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    71   1.00000 -1.0 2.0
   63    71   -74    50  -1.65800  1.0 1.0
   63    71   -74    50   0.77650 -1.0 2.0
   63    71    74    75   1.00000 -1.0 2.0
   64    63    71    72   7.00000 -1.0 2.0
   64    63    71    74   7.00000 -1.0 2.0
   72    71    74    50   1.64500 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   74    50    52    57   3.62500 -1.0 2.0
   74    50   -52    58   3.62500 -1.0 2.0
   45    40    43    44   3.62500 -1.0 2.0
   45    40    43    50   3.62500 -1.0 2.0
   38    33    37    40   0.18050 -1.0 2.0
   38    33    37    57   0.18050 -1.0 2.0
   38    33    55    51   0.65300  1.0 1.0
   38    33    55    51  -0.03850 -1.0 2.0
   38    33    55    51   0.33900  1.0 3.0
   38    33    55    56   0.30150 -1.0 2.0
   38    41   -49    51   0.15800  1.0 1.0
   38    41   -49    51   1.85350 -1.0 2.0
   38    41   -49    51  -0.48700  1.0 3.0
   38    41    49    73   0.15800  1.0 1.0
   38    41    49    73   1.85350 -1.0 2.0
   38    41    49    73  -0.48700  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    49    51    53   3.62500 -1.0 2.0
   41    49    51    55   3.62500 -1.0 2.0
   41    49    73    65   3.62500 -1.0 2.0
   41    49    73    76   3.62500 -1.0 2.0
   42    41    49    51  -0.01750  1.0 1.0
   42    41    49    51  -0.32000 -1.0 2.0
   42    41    49    51   0.00600  1.0 3.0
   42    41    49    73  -0.01750  1.0 1.0
   42    41    49    73  -0.32000 -1.0 2.0
   42    41    49    73   0.00600  1.0 3.0
   49    51    53    54   3.62500 -1.0 2.0
   49    51    53    60   3.62500 -1.0 2.0
   49    51   -55    33   2.26350  1.0 1.0
   49    51   -55    33   0.76750 -1.0 2.0
   49    51   -55    33   0.22500  1.0 3.0
   49    51    55    56   1.05000 -1.0 2.0
   49    73    76    77   0.84100 -1.0 2.0
   51    49    73    65   3.62500 -1.0 2.0
   51    49    73    76   3.62500 -1.0 2.0
   51    53   -60    65   3.62500 -1.0 2.0
   51    53    60    67   3.62500 -1.0 2.0
   53    51    55    33   2.26350  1.0 1.0
   53    51    55    33   0.76750 -1.0 2.0
   53    51    55    33   0.22500  1.0 3.0
   53    51    55    56   1.05000 -1.0 2.0
   53    60    65    66   3.62500 -1.0 2.0
   53    60    65    73   3.62500 -1.0 2.0
   53    60    67    68   0.00000  1.0 1.0
   53    60    67    69   0.00000  1.0 1.0
   53    60    67    70   0.00000  1.0 1.0
   54    53    60    65   3.62500 -1.0 2.0
   54    53    60    67   3.62500 -1.0 2.0
   60    65   -73    49   3.62500 -1.0 2.0
   60    65    73    76   3.62500 -1.0 2.0
   65    60    67    68   0.00000  1.0 1.0
   65    60    67    69   0.00000  1.0 1.0
   65    60    67    70   0.00000  1.0 1.0
   65    73    76    77   0.84100 -1.0 2.0
   66    65    73    49   3.62500 -1.0 2.0
   66    65    73    76   3.62500 -1.0 2.0
   73    49   -51    53   3.62500 -1.0 2.0
   73    49    51    55   3.62500 -1.0 2.0
   67    60    65    66   3.62500 -1.0 2.0
   67    60    65    73   3.62500 -1.0 2.0
   55    33    37    40   0.04300 -1.0 2.0
   55    33    37    57   0.04300 -1.0 2.0
   55    33    38    39   0.00000  1.0 1.0
   55    33   -38    41  -0.51250  1.0 1.0
   55    33   -38    41  -0.88800 -1.0 2.0
   55    33   -38    41   0.08850  1.0 3.0
   55    51    53    54   3.62500 -1.0 2.0
   55    51    53    60   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
   36    30    34    35  10.50000 -1.0 2.0
   40    57    37    33   4.00000 -1.0 2.0
   43    45    40    37   4.00000 -1.0 2.0
   50    44    43    40   1.10000 -1.0 2.0
   52    74    50    43   4.00000 -1.0 2.0
   57    58    52    50   4.00000 -1.0 2.0
   52    61    57    37   4.00000 -1.0 2.0
   52    63    58    59  10.50000 -1.0 2.0
   58    64    63    71   1.10000 -1.0 2.0
   74    72    71    63   1.10000 -1.0 2.0
   50    71    74    75  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   51    73    49    41   4.00000 -1.0 2.0
   53    55    51    49   4.00000 -1.0 2.0
   60    54    53    51   1.10000 -1.0 2.0
   65    67    60    53   4.00000 -1.0 2.0
   73    66    65    60   1.10000 -1.0 2.0
   65    76    73    49   4.00000 -1.0 2.0
   33    51    55    56  10.50000 -1.0 2.0
END
