* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    126    211     374
    1     0 S   NP   _N1_     1    29.38270    97.77910   -19.96456
    2     1 S   H    _HN1     2     1.02993    82.62337    41.91458
    3     1 S   H    _H1_     3     1.02840    52.55598   159.90673
    4     1 S   H    _H2_     4     1.02753    72.82396   -69.97715
    5     1 S   CT   _CA1     5     1.50067   162.38948  -179.89165
    6     5 S   HC   _HA1     6     1.09556   105.44222    42.12924
    7     5 S   CO3  _C1_     7     1.53688   112.19413   -78.48647
    8     7 S   O2Z  _O11     8     1.26263   114.78144   -45.94965
    9     7 S   O2Z  _O12     9     1.26196   115.08642   133.33459
   10     5 S   CT   _CB1    10     1.53059   107.48905   160.38798
   11    10 S   HC   HB11    11     1.09812   109.57862   -51.02617
   12    10 S   HC   HB12    12     1.09831   110.38382    65.62122
   13    10 S   CT   _CG1    13     1.52903   112.41796  -172.14247
   14    13 S   HC   HG11    14     1.09540   110.45467   -57.64094
   15    13 S   HC   HG12    15     1.09632   110.12648    61.35100
   16    13 S   C    _CD1    16     1.51706   112.17204  -178.42753
   17    16 S   O    _OE1    17     1.22713   123.25648   -14.20856
   18    16 S   N    _N2_    18     1.38464   111.47579   166.98013
   19    18 S   H    _HN2    19     1.01590   118.94308     0.83650
   20    18 S   CT1  _CA2    20     1.46097   123.71595  -178.68389
   21    20 S   HC   _HA2    21     1.09714   109.61242    -6.55401
   22    20 S   C    _C2_    22     1.53517   108.43078  -122.25901
   23    22 S   O    _O2_    23     1.23031   122.28473  -147.49927
   24    20 S   CT   _CB2    32     1.53274   110.64824   115.68763
   25    24 S   HC   HB21    33     1.09345   109.05479    52.19430
   26    24 S   HC   HB22    34     1.09501   110.78660   170.22298
   27    22 S   N    _N3_    24     1.38534   113.50581    40.12012
   28    27 S   H    _HN3    25     1.01504   118.87217    -0.73275
   29    24 S   S    _SG2    35     1.83419   111.64245   -71.22704
   30    27 S   CT   _CA3    26     1.45430   123.44166   175.23918
   31    30 S   HC   HA31    27     1.09526   109.21749    25.05367
   32    30 S   HC   HA32    28     1.09497   107.13041   142.02785
   33    29 S   CT   _C21    36     1.84491   101.82766   133.77850
   34    33 S   OM   _O37    37     1.31671   109.50996   172.16409
   35    30 S   CO3  _C3_    29     1.52910   113.11122   -98.42677
   36    35 S   O2Z  _O31    30     1.26403   115.39635   -45.42061
   37    35 S   O2Z  _O32    31     1.26356   114.99910   135.54087
   38    33 S   CM   _C22    38     1.49174   110.12866    53.00026
   39    38 S   HC   _H6_    39     1.09324   116.36647    57.45774
   40    38 S   CMA  _C23    40     1.35006   126.24719  -120.38663
   41    40 S   OM   _O36    41     1.26122   126.92550   177.96625
   42    40 S   CM   _C18    42     1.50518   119.47519    -2.98924
   43    42 S   CM   _C19    43     1.36516   119.62807    -4.46462
   44    43 S   CM   _C14    44     1.47313   120.31976  -174.25263
   45    33 S   CO4  _C20    70     1.52418   108.70330   -71.27278
   46    45 S   O    _O35    71     1.23641   121.99197   -48.74615
   47    44 S   CO4  _C15    45     1.49186   112.21324   -40.43990
   48    47 S   O    _O39    46     1.22104   125.13734  -130.88599
   49    44 S   CM   _C12    52     1.35616   127.26850   133.30264
   50    47 S   CM   _C16    47     1.47602   111.93730    48.97013
   51    50 S   HC   _H5_    48     1.08248   118.50701   152.25351
   52    49 S   CO4  _C13    53     1.49628   120.76254    -2.39784
   53    52 S   O    _O34    54     1.22516   122.72788   -30.39271
   54    42 S   CM   _C17    49     1.50655   125.65059   173.91595
   55    52 S   CA   _C8_    55     1.47940   117.36282   153.38900
   56    54 S   OH   _O38    50     1.38455   119.05991    15.99570
   57    56 S   HO   _H7_    51     0.97547   107.19655    -2.51630
   58    55 S   CA   _C9_    56     1.39220   120.90536    18.19109
   59    58 S   CA   _C4_    57     1.40922   120.34505   178.08582
   60    59 S   HA   _H3_    58     1.09196   118.74945  -179.81762
   61    58 S   CO4  _C10    66     1.47348   121.02651    -0.78235
   62    61 S   O    _O33    67     1.22265   122.58887   177.82498
   63    59 S   CA   _C5_    59     1.41203   123.24608     0.14402
   64    63 S   OM   _O42    60     1.27674   122.78355  -179.73312
   65    49 S   CO4  _C11    68     1.48972   122.67251  -175.22037
   66    65 S   O    _O40    69     1.22124   125.42963    28.76025
   67    63 S   CA   _C6_    61     1.41018   114.43443     0.31216
   68    67 S   HA   _H4_    62     1.09167   118.91575   179.58646
   69    55 S   CA   _C7_    63     1.39695   120.92187  -163.20934
   70    69 S   OH   _O41    64     1.37053   123.44413     2.36041
   71    70 S   HO   _H8_    65     0.97447   109.16428     1.50155
  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  11  14   4   1   8   4
  10   4   2  10   4   2  12   1   1  11   9   4   5   2   5   3
   1   1   4   2   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    43    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    54    45    46  
   40    41    42    45  
   41    42    43    44    50    54    56    45  
   42    43    54  
   43    44    47    50    51    54    56    57    49    45    46  
   44    47    48    50    54    56    49    52    65    45    46  
   47    48    50    51    54    49    52    53    55    61    65    66    45    46  
   46    47    49    54  
    0  
   48    50    51    54    56    49    52    65  
   50    51    54    49  
   52    53    55    58    69    61    62    65    66    50  
   51    54    56    57  
   54    56  
   53    55    58    59    67    69    70    61    65    66  
   55    58    69    65  
   56    57  
   58    59    60    63    67    68    69    70    71    61    62    65  
   57  
    0  
   59    60    63    64    67    69    70    61    62    65    66  
   60    63    64    67    68    69    61    62    65  
   63    64    67    61  
   62    65    66    63    69  
   65    66  
   64    67    68    69    70  
   67    68    69  
   66  
    0  
   68    69    70    71  
   69    70  
   70    71  
   71  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.976300   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   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  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    45   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    54   380.000  1.444
   43    44   380.000  1.444
   43    45   320.000  1.462
   44    47   320.000  1.462
   44    49   549.000  1.340
   47    48   570.000  1.229
   47    50   320.000  1.462
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    56   510.000  1.338
   56    57   553.000  0.945
   49    52   320.000  1.462
   49    65   320.000  1.462
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    58   469.000  1.400
   55    69   469.000  1.400
   58    59   469.000  1.400
   58    61   310.000  1.470
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   450.000  1.364
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   450.000  1.364
   70    71   553.000  0.945
   61    62   570.000  1.229
   61    65   250.000  1.523
   65    66   570.000  1.229
   45    46   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    65.00000  118.62400
   33    45    46    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    54    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    43    44    70.00000  123.01800
   42    43    45    65.00000  118.96000
   42    54    50    70.00000  123.01800
   42    54    56    80.00000  121.38400
   43    44    47    65.00000  118.96000
   43    44    49    70.00000  123.01800
   43    45    46    80.00000  123.72100
   44    47    48    80.00000  123.72100
   44    47    50    65.00000  118.65900
   44    49    52    65.00000  118.96000
   44    49    65    65.00000  118.96000
   47    50    51    40.00000  117.72500
   47    50    54    65.00000  118.96000
   50    47    48    80.00000  123.72100
   50    54    56    80.00000  121.38400
   54    42    43    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    56    57    70.00000  107.45700
   49    44    47    65.00000  118.96000
   49    52    53    80.00000  123.72100
   49    52    55    65.00000  117.02400
   49    65    61    65.00000  116.00000
   49    65    66    80.00000  123.72100
   52    55    58    60.00000  119.52600
   52    55    69    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    58    59    63.00000  120.00000
   55    58    61    60.00000  119.52600
   55    69    67    63.00000  120.00000
   55    69    70    70.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    63    63.00000  120.00000
   58    61    62    75.00000  123.78400
   58    61    65    60.00000  117.28700
   59    63    64    70.00000  120.00000
   59    63    67    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    69    63.00000  120.00000
   67    63    64    70.00000  120.00000
   67    69    70    70.00000  120.00000
   69    55    58    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  113.00000
   61    58    59    60.00000  119.52600
   61    65    66    80.00000  119.30300
   65    49    52    65.00000  115.30000
   65    61    62    80.00000  119.30300
   45    33    34    90.00000  108.74100
   45    33    38    70.00000  109.06800
   45    43    44    65.00000  118.96000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    45    43   0.65300  1.0 1.0
   29    33    45    43  -0.03850 -1.0 2.0
   29    33    45    43   0.33900  1.0 3.0
   29    33    45    46   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   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    45    43   0.65300  1.0 1.0
   34    33    45    43  -0.03850 -1.0 2.0
   34    33    45    43   0.33900  1.0 3.0
   34    33    45    46   0.30150 -1.0 2.0
   38    33    45    43   0.65300  1.0 1.0
   38    33    45    43  -0.03850 -1.0 2.0
   38    33    45    43   0.33900  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    54   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    45   7.00000 -1.0 2.0
   40    42    54    50   0.28850  1.0 1.0
   40    42    54    50   2.61350 -1.0 2.0
   40    42    54    50   0.78400  1.0 3.0
   40    42    54    56   0.50950  1.0 1.0
   40    42    54    56   0.56650 -1.0 2.0
   40    42    54    56   0.34050  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    54   7.00000 -1.0 2.0
   42    43    44    47  -0.18600  1.0 3.0
   42    43    44    49   0.28850  1.0 1.0
   42    43    44    49   2.61350 -1.0 2.0
   42    43    44    49   0.78400  1.0 3.0
   42    43   -45    33  -0.33500  1.0 1.0
   42    43   -45    33   1.06600 -1.0 2.0
   42    43   -45    33  -0.14000  1.0 3.0
   42    43    45    46   1.00000 -1.0 2.0
   42    54    56    57  -0.66100  1.0 1.0
   42    54    56    57   1.20850 -1.0 2.0
   42    54    56    57  -0.36000  1.0 3.0
   43    42    54    50   0.28850  1.0 1.0
   43    42    54    50   2.61350 -1.0 2.0
   43    42    54    50   0.78400  1.0 3.0
   43    42    54    56   0.50950  1.0 1.0
   43    42    54    56   0.56650 -1.0 2.0
   43    42    54    56   0.34050  1.0 3.0
   43    44    47    48   1.00000 -1.0 2.0
   43    44   -47    50  -1.18350  1.0 1.0
   43    44   -47    50   1.45950 -1.0 2.0
   43    44    49    52   7.00000 -1.0 2.0
   43    44    49    65   7.00000 -1.0 2.0
   44    43    45    33  -0.33500  1.0 1.0
   44    43    45    33   1.06600 -1.0 2.0
   44    43    45    33  -0.14000  1.0 3.0
   44    43    45    46   1.00000 -1.0 2.0
   44    47    50    51   0.93700 -1.0 2.0
   44    47    50    54  -1.18350  1.0 1.0
   44    47    50    54   1.45950 -1.0 2.0
   44    49    52    53   1.00000 -1.0 2.0
   44    49    52    55  -1.65800  1.0 1.0
   44    49    52    55   0.77650 -1.0 2.0
   44    49    65    61   0.50400  1.0 1.0
   44    49    65    61   1.60000 -1.0 2.0
   44    49    65    61  -0.01800  1.0 3.0
   44    49    65    66   1.00000 -1.0 2.0
   47    44    49    52   7.00000 -1.0 2.0
   47    44    49    65   7.00000 -1.0 2.0
   47    50   -54    42   7.00000 -1.0 2.0
   47    50    54    56   7.00000 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    54   1.00000 -1.0 2.0
   50    54    56    57  -0.66100  1.0 1.0
   50    54    56    57   1.20850 -1.0 2.0
   50    54    56    57  -0.36000  1.0 3.0
   51    50    54    42   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    42   -43    44   7.00000 -1.0 2.0
   54    42    43    45   7.00000 -1.0 2.0
   49    44    47    48   1.00000 -1.0 2.0
   49    44    47    50  -1.18350  1.0 1.0
   49    44    47    50   1.45950 -1.0 2.0
   49    52    55    58  -0.11500  1.0 1.0
   49    52    55    58   1.10450 -1.0 2.0
   49    52    55    58  -0.48050  1.0 3.0
   49    52    55    69  -0.11500  1.0 1.0
   49    52    55    69   1.10450 -1.0 2.0
   49    52    55    69  -0.48050  1.0 3.0
   52    49    65    61   1.50000 -1.0 2.0
   52    49    65    66   2.50000 -1.0 2.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55   -58    61   3.62500 -1.0 2.0
   52    55    69    67   3.62500 -1.0 2.0
   52    55    69    70   3.62500 -1.0 2.0
   53    52    55    58   1.05000 -1.0 2.0
   53    52    55    69   1.05000 -1.0 2.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    63   3.62500 -1.0 2.0
   55    58    61    62   1.05000 -1.0 2.0
   55    58    61    65   0.56600 -1.0 2.0
   55    69    70    71   0.84100 -1.0 2.0
   58    55    69    67   3.62500 -1.0 2.0
   58    55    69    70   3.62500 -1.0 2.0
   58    59    63    64   3.62500 -1.0 2.0
   58    59   -63    67   3.62500 -1.0 2.0
   58    61   -65    49   0.43900  1.0 1.0
   58    61   -65    49  -0.18150 -1.0 2.0
   58    61   -65    49  -0.03650  1.0 3.0
   58    61    65    66   0.03000  1.0 1.0
   58    61    65    66   0.58800 -1.0 2.0
   58    61    65    66   0.15550  1.0 3.0
   59    58    61    62   1.05000 -1.0 2.0
   59    58    61    65   0.56600 -1.0 2.0
   59    63    67    68   3.62500 -1.0 2.0
   59    63    67    69   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   60    59    63    67   3.62500 -1.0 2.0
   63    67   -69    55   3.62500 -1.0 2.0
   63    67    69    70   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    69   3.62500 -1.0 2.0
   67    69    70    71   0.84100 -1.0 2.0
   68    67    69    55   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   69    55   -58    59   3.62500 -1.0 2.0
   69    55    58    61   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    63   3.62500 -1.0 2.0
   62    61    65    49   0.03000  1.0 1.0
   62    61    65    49   0.58800 -1.0 2.0
   62    61    65    49   0.15550  1.0 3.0
   62    61    65    66   0.06100 -1.0 2.0
   65    49    52    53   2.50000 -1.0 2.0
   65    49   -52    55   1.50000 -1.0 2.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40  -0.51250  1.0 1.0
   45    33   -38    40  -0.88800 -1.0 2.0
   45    33   -38    40   0.08850  1.0 3.0
   45    43    44    47   1.08500 -1.0 2.0
   45    43    44    49  -0.18600  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    54    42    43   1.10000 -1.0 2.0
   44    45    43    42   1.10000 -1.0 2.0
   43    47    44    49   1.10000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   47    51    50    54   1.10000 -1.0 2.0
   42    56    54    50   1.10000 -1.0 2.0
   52    65    49    44   1.10000 -1.0 2.0
   49    55    52    53  10.50000 -1.0 2.0
   58    69    55    52   4.00000 -1.0 2.0
   59    61    58    55   4.00000 -1.0 2.0
   63    60    59    58   1.10000 -1.0 2.0
   67    64    63    59   4.00000 -1.0 2.0
   69    68    67    63   1.10000 -1.0 2.0
   67    70    69    55   4.00000 -1.0 2.0
   58    65    61    62  10.50000 -1.0 2.0
   49    61    65    66  10.50000 -1.0 2.0
   33    43    45    46  10.50000 -1.0 2.0
END
