* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    240     432
    1     0 S   NP   _N1_     1    28.72777    95.06501   -23.35036
    2     1 S   H    _HN1     2     1.02828    29.40573   160.37488
    3     1 S   H    _H1_     3     1.02783   103.31744   -96.73985
    4     1 S   H    _H2_     4     1.02951    81.57787    10.24749
    5     1 S   CT   _CA1     5     1.50112   135.37402   120.83330
    6     5 S   HC   _HA1     6     1.09572   105.20911    78.74331
    7     5 S   CO3  _C1_     7     1.53798   112.45070   -41.50543
    8     7 S   O2Z  _O11     8     1.26371   115.00528   -42.53264
    9     7 S   O2Z  _O12     9     1.26240   114.95661   136.62932
   10     5 S   CT   _CB1    10     1.53085   107.42497  -163.26091
   11    10 S   HC   HB11    11     1.09830   109.39997   -49.74981
   12    10 S   HC   HB12    12     1.09814   110.43000    66.86590
   13    10 S   CT   _CG1    13     1.52980   112.59405  -170.74203
   14    13 S   HC   HG11    14     1.09587   110.58599   -64.81866
   15    13 S   HC   HG12    15     1.09668   109.83091    54.40628
   16    13 S   C    _CD1    16     1.51796   112.29447   174.86485
   17    16 S   O    _OE1    17     1.22721   123.30697     4.64140
   18    16 S   N    _N2_    18     1.38639   111.60141  -175.43709
   19    18 S   H    _HN2    19     1.01574   118.94501     2.00877
   20    18 S   CT1  _CA2    20     1.46239   123.46363   178.36147
   21    20 S   HC   _HA2    21     1.09740   109.39251     1.66177
   22    20 S   C    _C2_    22     1.53561   108.56610  -113.81938
   23    22 S   O    _O2_    23     1.23057   122.34231  -147.93965
   24    20 S   CT   _CB2    32     1.53510   111.52921   123.66470
   25    24 S   HC   HB21    33     1.09457   109.28822    55.33995
   26    24 S   HC   HB22    34     1.09297   109.71283   174.11027
   27    22 S   N    _N3_    24     1.38354   113.68411    39.51656
   28    27 S   H    _HN3    25     1.01589   119.57375    -3.34451
   29    24 S   S    _SG2    35     1.82941   110.96690   -64.62253
   30    27 S   CT   _CA3    26     1.45286   123.16917   177.09061
   31    30 S   HC   HA31    27     1.09551   107.50539   -64.47032
   32    30 S   HC   HA32    28     1.09557   107.97703    51.94948
   33    29 S   CT   _C11    36     1.89394   102.79882  -163.73422
   34    30 S   CO3  _C3_    29     1.52949   114.12605   173.94939
   35    34 S   O2Z  _O31    30     1.26372   116.08695    -0.80284
   36    34 S   O2Z  _O32    31     1.26435   114.40639   179.25901
   37    33 S   CT   _C10    37     1.59365   105.41770   171.93559
   38    37 S   HC   _H5_    38     1.10135   108.70069   -32.33731
   39    33 S   CT   _C5_    56     1.58960   111.99603   -62.50541
   40    37 S   CT   _C9_    39     1.53810   119.03240    89.97448
   41    40 S   HC   _H4_    40     1.09490   110.83763    88.50303
   42    39 S   CT   _C4_    57     1.53917   114.60084  -174.22158
   43    42 S   HC   _H8_    58     1.09447   111.54538   -57.69952
   44    42 S   HC   _H9_    59     1.09752   110.42430  -174.20289
   45    42 S   HC   _H10    60     1.08808   113.61301    65.75106
   46    39 S   OH   _O37    61     1.44829   106.75477    71.65592
   47    46 S   HO   _H21    62     0.97268   108.67912  -179.85065
   48    37 S   C3T  _C14    63     1.53073   104.28886  -143.09998
   49    40 S   CT   _C8_    41     1.52053   117.63185   -38.61649
   50    49 S   HC   _H3_    42     1.09422   111.88501   -38.83219
   51    48 S   C3T  _C13    64     1.48827   108.69192    18.51236
   52    51 S   HC   _H7_    65     1.07672   122.23612  -144.60699
   53    48 S   CT   _C15    71     1.49014   124.26478  -135.19267
   54    53 S   HC   _H15    72     1.09616   111.34821  -174.93531
   55    53 S   HC   _H16    73     1.09310   111.50663    65.75729
   56    53 S   HC   _H17    74     1.09396   110.94157   -55.67599
   57    49 S   CM   _C17    43     1.49733    99.48289  -150.85694
   58    49 S   CT   _C7_    50     1.52659   112.13994    86.70154
   59    58 S   HC   _H13    51     1.09752   109.37841   165.90919
   60    58 S   HC   _H14    52     1.09764   110.36831    50.32284
   61    33 S   CT   _C12    66     1.58944   109.50758    61.61926
   62    61 S   HC   _H6_    67     1.09356   112.31710   -99.72721
   63    48 S   O3T  _O33    70     1.43904   113.86492    81.54238
   64    57 S   CO4  _C16    44     1.47725   108.38651    25.57189
   65    64 S   O    _O36    45     1.21706   127.33789   168.37785
   66    57 S   CM   _C18    47     1.33614   130.56312  -153.37892
   67    66 S   HC   _H19    48     1.08413   121.49749    -1.13866
   68    66 S   HC   _H20    49     1.08552   121.57971   179.40719
   69    58 S   CT   _C6_    53     1.52559   115.08726   -74.17507
   70    69 S   HC   _H11    54     1.10044   106.73672   179.34808
   71    69 S   HC   _H12    55     1.09634   108.88952   -70.37704
   72    61 S   OH   _O34    68     1.42673   113.63148    22.43366
   73    72 S   HO   _H18    69     0.97233   107.51556   174.10968
   74    40 S   OS   _O35    46     1.44867   107.70875  -156.84156
  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  13   5   4   3
  26   2   1   1  24  10  19  17   7  10   4   3   2   6   1  12
  14   8  10   5   5   3   2   1  10   8   4   3   5   3   1   5
   2   3   1   1   2   1   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    39    61    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    69    39    42    46    48    51    61    62    72  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    49    74    58    69    70    71    39    42    43    44    45    46    47    48    51    52    61    62    72    73    63    53  
   35    36  
   36  
    0  
   38    40    41    49    50    57    64    74    58    69    39    42    46    48    51    52    61    62    72    63    53    54    55    56  
   40    41    49    74    39    48    51    61    63    53  
   42    43    44    45    46    47    48    51    61    62    72    40    49    58    59    60    69    70    71  
   41    49    50    57    64    65    74    66    58    59    60    69    48    51    61    63    53  
   49    50    57    64    74    58    48  
   43    44    45    46    47    61    58    69    70    71  
   44    45    46    69  
   45    46    69  
   46    69  
   47    61    58    69    70    71  
   69  
   51    52    61    62    72    63    53    54    55    56    49    74  
   50    57    64    65    74    66    67    68    58    59    60    69    70    71  
   57    64    74    66    58    59    60    69  
   52    61    62    72    73    63    53    54    55    56  
   61    62    72    63    53  
   54    55    56    61    63  
   55    56    63  
   56    63  
   63  
   64    65    74    66    67    68    58    59    60    69  
   59    60    69    70    71    64    66    74  
   60    69    70    71  
   69    70    71  
   62    72    73    63    69  
   72    73    63  
   72  
   65    74    66    67    68  
   74    66  
   67    68    74  
   68  
    0  
   70    71  
   71  
    0  
   73  
    0  
    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   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    39   268.000  1.529
   33    61   268.000  1.529
   37    38   340.000  1.090
   37    40   268.000  1.529
   37    48   275.000  1.510
   40    41   340.000  1.090
   40    49   268.000  1.529
   40    74   320.000  1.410
   49    50   340.000  1.090
   49    57   317.000  1.510
   49    58   268.000  1.529
   57    64   320.000  1.462
   57    66   549.000  1.340
   64    65   570.000  1.229
   64    74   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    39   268.000  1.529
   39    42   268.000  1.529
   39    46   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
   48    51   260.000  1.509
   48    63   335.000  1.432
   48    53   275.000  1.510
   51    52   340.000  1.088
   51    61   275.000  1.510
   51    63   335.000  1.432
   61    62   340.000  1.090
   61    72   320.000  1.410
   72    73   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    61    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    58.35000  112.70000
   33    37    48    70.00000  112.37300
   33    39    69    58.35000  112.70000
   33    39    42    58.35000  112.70000
   33    39    46    50.00000  109.50000
   33    61    51    70.00000  112.37300
   33    61    62    37.50000  110.70000
   33    61    72    50.00000  109.50000
   37    40    41    37.50000  110.70000
   37    40    49    58.35000  112.70000
   37    40    74    50.00000  109.50000
   37    48    51    60.00000  120.94000
   37    48    63    80.00000  116.47100
   37    48    53    58.35000  112.70000
   40    37    38    37.50000  110.70000
   40    49    50    37.50000  110.70000
   40    49    57    70.00000  112.02700
   40    49    58    58.35000  112.70000
   40    74    64    83.00000  116.90000
   49    40    41    37.50000  110.70000
   49    57    64    65.00000  116.34900
   49    57    66    70.00000  124.00000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    69    58.35000  112.70000
   57    49    50    35.00000  109.50000
   57    64    65    80.00000  123.72100
   57    64    74    90.00000  111.29400
   57    66    67    35.00000  120.00000
   57    66    68    35.00000  120.00000
   74    40    41    35.00000  109.50000
   74    40    49    50.00000  109.50000
   74    64    65    83.00000  123.40000
   66    57    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   58    49    50    37.50000  110.70000
   58    49    57    70.00000  112.02700
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   58    69    39    58.35000  112.70000
   60    58    59    33.00000  107.80000
   69    58    59    37.50000  110.70000
   69    58    60    37.50000  110.70000
   69    39    42    58.35000  112.70000
   69    39    46    50.00000  109.50000
   71    69    70    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    69    70    37.50000  110.70000
   39    69    71    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    42    50.00000  109.50000
   48    37    38    45.00000  109.38400
   48    37    40    70.00000  112.37300
   48    51    52    37.50000  117.20000
   48    51    61    60.00000  120.94000
   48    51    63    15.00000   60.43100
   48    63    51    15.00000   59.14900
   48    53    54    45.00000  109.38400
   48    53    55    45.00000  109.38400
   48    53    56    45.00000  109.38400
   51    61    62    45.00000  109.38400
   51    61    72    50.00000  109.50000
   61    33    37    58.35000  112.70000
   61    33    39    58.35000  112.70000
   61    51    52    40.00000  115.04500
   61    72    73    55.00000  108.50000
   72    61    62    35.00000  109.50000
   63    48    51    15.00000   60.43100
   63    51    52    50.00000  114.27700
   63    51    61    80.00000  116.47100
   53    48    51    60.00000  120.94000
   53    48    63    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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    38   0.15000  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    48   0.44750  1.0 1.0
   29    33    37    48  -0.17800 -1.0 2.0
   29    33    37    48   0.20200  1.0 3.0
   29    33    39    69   0.44750  1.0 1.0
   29    33    39    69  -0.17800 -1.0 2.0
   29    33    39    69   0.20200  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   29    33    61    51   0.44750  1.0 1.0
   29    33    61    51  -0.17800 -1.0 2.0
   29    33    61    51   0.20200  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   29    33    61    72   0.56750  1.0 1.0
   29    33    61    72  -0.07550 -1.0 2.0
   29    33    61    72   0.20000  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    49   0.56750  1.0 1.0
   33    37    40    49  -0.07550 -1.0 2.0
   33    37    40    49   0.20000  1.0 3.0
   33    37    40    74   0.62750  1.0 1.0
   33    37    40    74  -0.30950 -1.0 2.0
   33    37    40    74   0.27300  1.0 3.0
   33    37   -48    51   0.07850  1.0 1.0
   33    37   -48    51  -0.03950 -1.0 2.0
   33    37   -48    51   0.67350  1.0 3.0
   33    37    48    63   0.02550  1.0 1.0
   33    37    48    63  -0.02600 -1.0 2.0
   33    37    48    63   1.20400  1.0 3.0
   33    37    48    53   0.56750  1.0 1.0
   33    37    48    53  -0.07550 -1.0 2.0
   33    37    48    53   0.20000  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   33    61    72    73  -0.11600  1.0 1.0
   33    61    72    73  -0.09450 -1.0 2.0
   33    61    72    73   0.21250  1.0 3.0
   37    33    39    69   0.56750  1.0 1.0
   37    33    39    69  -0.07550 -1.0 2.0
   37    33    39    69   0.20000  1.0 3.0
   37    33    39    42   0.56750  1.0 1.0
   37    33    39    42  -0.07550 -1.0 2.0
   37    33    39    42   0.20000  1.0 3.0
   37    33    39    46   0.86500  1.0 1.0
   37    33    39    46  -0.17500 -1.0 2.0
   37    33    39    46   0.20800  1.0 3.0
   37    33   -61    51   0.47050  1.0 1.0
   37    33   -61    51   0.03900 -1.0 2.0
   37    33   -61    51   0.20100  1.0 3.0
   37    33    61    62   0.15000  1.0 3.0
   37    33    61    72   0.86500  1.0 1.0
   37    33    61    72  -0.17500 -1.0 2.0
   37    33    61    72   0.20800  1.0 3.0
   37    40    49    50   0.15000  1.0 3.0
   37    40    49    57   0.34400  1.0 1.0
   37    40    49    57   0.09450 -1.0 2.0
   37    40    49    57   0.11100  1.0 3.0
   37    40    49    58   0.56750  1.0 1.0
   37    40    49    58  -0.07550 -1.0 2.0
   37    40    49    58   0.20000  1.0 3.0
   37    40    74    64  -0.25900  1.0 1.0
   37    40    74    64  -0.47000 -1.0 2.0
   37    40    74    64   0.11750  1.0 3.0
   37    48    51    52   0.15000  1.0 3.0
   37    48   -51    61   0.56750  1.0 1.0
   37    48   -51    61  -0.07550 -1.0 2.0
   37    48   -51    61   0.20000  1.0 3.0
   37    48   -51    63   0.02550  1.0 1.0
   37    48   -51    63  -0.02600 -1.0 2.0
   37    48   -51    63   1.20400  1.0 3.0
   37    48   -63    51   0.06250  1.0 1.0
   37    48   -63    51  -0.01100 -1.0 2.0
   37    48   -63    51   0.28050  1.0 3.0
   37    48    53    54   0.15000  1.0 3.0
   37    48    53    55   0.15000  1.0 3.0
   37    48    53    56   0.15000  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    49   0.15000  1.0 3.0
   38    37    40    74   0.23400  1.0 3.0
   38    37    48    51   0.15000  1.0 3.0
   38    37    48    63   0.23400  1.0 3.0
   38    37    48    53   0.15000  1.0 3.0
   40    37    48    51   0.07850  1.0 1.0
   40    37    48    51  -0.03950 -1.0 2.0
   40    37    48    51   0.67350  1.0 3.0
   40    37    48    63   0.02550  1.0 1.0
   40    37    48    63  -0.02600 -1.0 2.0
   40    37    48    63   1.20400  1.0 3.0
   40    37    48    53   0.56750  1.0 1.0
   40    37    48    53  -0.07550 -1.0 2.0
   40    37    48    53   0.20000  1.0 3.0
   40    49   -57    64   0.09700  1.0 1.0
   40    49   -57    64   0.15600 -1.0 2.0
   40    49   -57    64  -0.50800  1.0 3.0
   40    49    57    66   0.09850  1.0 1.0
   40    49    57    66   0.15250 -1.0 2.0
   40    49    57    66  -0.50650  1.0 3.0
   40    49    58    59   0.15000  1.0 3.0
   40    49    58    60   0.15000  1.0 3.0
   40    49    58    69   0.56750  1.0 1.0
   40    49    58    69  -0.07550 -1.0 2.0
   40    49    58    69   0.20000  1.0 3.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    57   0.15000  1.0 3.0
   41    40    49    58   0.15000  1.0 3.0
   41    40    74    64   0.08050  1.0 3.0
   49    40   -74    64  -0.25900  1.0 1.0
   49    40   -74    64  -0.47000 -1.0 2.0
   49    40   -74    64   0.11750  1.0 3.0
   49    57    64    65  -0.64400  1.0 1.0
   49    57    64    65   0.26850 -1.0 2.0
   49    57   -64    74  -0.15000  1.0 1.0
   49    57   -64    74   0.89550 -1.0 2.0
   49    57   -64    74  -0.06900  1.0 3.0
   49    57    66    67   7.00000 -1.0 2.0
   49    57    66    68   7.00000 -1.0 2.0
   49    58    69    70   0.15000  1.0 3.0
   49    58    69    71   0.15000  1.0 3.0
   49    58    69    39   0.56750  1.0 1.0
   49    58    69    39  -0.07550 -1.0 2.0
   49    58    69    39   0.20000  1.0 3.0
   50    49    57    64   0.15000  1.0 3.0
   50    49    57    66   0.00000  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    69   0.15000  1.0 3.0
   57    49    58    59   0.15000  1.0 3.0
   57    49    58    60   0.15000  1.0 3.0
   57    49    58    69   0.34400  1.0 1.0
   57    49    58    69   0.09450 -1.0 2.0
   57    49    58    69   0.11100  1.0 3.0
   57    64   -74    40   2.00000 -1.0 2.0
   64    57    66    67   7.00000 -1.0 2.0
   64    57    66    68   7.00000 -1.0 2.0
   65    64    74    40   3.00000 -1.0 2.0
   74    40    49    50   0.23400  1.0 3.0
   74    40   -49    57   0.61850  1.0 1.0
   74    40   -49    57  -0.22750 -1.0 2.0
   74    40   -49    57   0.15300  1.0 3.0
   74    40    49    58   0.62750  1.0 1.0
   74    40    49    58  -0.30950 -1.0 2.0
   74    40    49    58   0.27300  1.0 3.0
   66    57    64    65   1.00000 -1.0 2.0
   66    57    64    74  -0.56150  1.0 1.0
   66    57    64    74   2.19150 -1.0 2.0
   58    49    57    64   0.09700  1.0 1.0
   58    49    57    64   0.15600 -1.0 2.0
   58    49    57    64  -0.50800  1.0 3.0
   58    49    57    66   0.09850  1.0 1.0
   58    49    57    66   0.15250 -1.0 2.0
   58    49    57    66  -0.50650  1.0 3.0
   58    69    39    33   0.56750  1.0 1.0
   58    69    39    33  -0.07550 -1.0 2.0
   58    69    39    33   0.20000  1.0 3.0
   58    69    39    42   0.56750  1.0 1.0
   58    69    39    42  -0.07550 -1.0 2.0
   58    69    39    42   0.20000  1.0 3.0
   58    69    39    46   0.86500  1.0 1.0
   58    69    39    46  -0.17500 -1.0 2.0
   58    69    39    46   0.20800  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   59    58    69    39   0.15000  1.0 3.0
   60    58    69    70   0.15000  1.0 3.0
   60    58    69    71   0.15000  1.0 3.0
   60    58    69    39   0.15000  1.0 3.0
   69    39    42    43   0.15000  1.0 3.0
   69    39    42    44   0.15000  1.0 3.0
   69    39    42    45   0.15000  1.0 3.0
   69    39    46    47  -0.11600  1.0 1.0
   69    39    46    47  -0.09450 -1.0 2.0
   69    39    46    47   0.21250  1.0 3.0
   70    69    39    33   0.15000  1.0 3.0
   70    69    39    42   0.15000  1.0 3.0
   70    69    39    46   0.23400  1.0 3.0
   71    69    39    33   0.15000  1.0 3.0
   71    69    39    42   0.15000  1.0 3.0
   71    69    39    46   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.56750  1.0 1.0
   39    33    37    40  -0.07550 -1.0 2.0
   39    33    37    40   0.20000  1.0 3.0
   39    33    37    48   0.47050  1.0 1.0
   39    33    37    48   0.03900 -1.0 2.0
   39    33    37    48   0.20100  1.0 3.0
   39    33    61    51   0.47050  1.0 1.0
   39    33    61    51   0.03900 -1.0 2.0
   39    33    61    51   0.20100  1.0 3.0
   39    33    61    62   0.15000  1.0 3.0
   39    33    61    72   0.86500  1.0 1.0
   39    33    61    72  -0.17500 -1.0 2.0
   39    33    61    72   0.20800  1.0 3.0
   42    39    46    47  -0.11600  1.0 1.0
   42    39    46    47  -0.09450 -1.0 2.0
   42    39    46    47   0.21250  1.0 3.0
   46    39    42    43   0.23400  1.0 3.0
   46    39    42    44   0.23400  1.0 3.0
   46    39    42    45   0.23400  1.0 3.0
   48    37    40    41   0.15000  1.0 3.0
   48    37    40    49   0.47050  1.0 1.0
   48    37    40    49   0.03900 -1.0 2.0
   48    37    40    49   0.20100  1.0 3.0
   48    37    40    74  -0.26800  1.0 1.0
   48    37    40    74   0.69150 -1.0 2.0
   48    37    40    74  -0.48750  1.0 3.0
   48    51   -61    33   0.07850  1.0 1.0
   48    51   -61    33  -0.03950 -1.0 2.0
   48    51   -61    33   0.67350  1.0 3.0
   48    51    61    62   0.15000  1.0 3.0
   48    51    61    72   0.86500  1.0 1.0
   48    51    61    72  -0.17500 -1.0 2.0
   48    51    61    72   0.20800  1.0 3.0
   51    48    53    54   0.15000  1.0 3.0
   51    48    53    55   0.15000  1.0 3.0
   51    48    53    56   0.15000  1.0 3.0
   51    61    72    73  -0.11600  1.0 1.0
   51    61    72    73  -0.09450 -1.0 2.0
   51    61    72    73   0.21250  1.0 3.0
   52    51    61    33   0.15000  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    72   0.23400  1.0 3.0
   52    51   -63    48   0.36800  1.0 3.0
   61    33    37    38   0.15000  1.0 3.0
   61    33    37    40   0.56750  1.0 1.0
   61    33    37    40  -0.07550 -1.0 2.0
   61    33    37    40   0.20000  1.0 3.0
   61    33   -37    48   0.47050  1.0 1.0
   61    33   -37    48   0.03900 -1.0 2.0
   61    33   -37    48   0.20100  1.0 3.0
   61    33    39    69   0.56750  1.0 1.0
   61    33    39    69  -0.07550 -1.0 2.0
   61    33    39    69   0.20000  1.0 3.0
   61    33    39    42   0.56750  1.0 1.0
   61    33    39    42  -0.07550 -1.0 2.0
   61    33    39    42   0.20000  1.0 3.0
   61    33    39    46   0.86500  1.0 1.0
   61    33    39    46  -0.17500 -1.0 2.0
   61    33    39    46   0.20800  1.0 3.0
   61    51   -63    48   0.06250  1.0 1.0
   61    51   -63    48  -0.01100 -1.0 2.0
   61    51   -63    48   0.28050  1.0 3.0
   62    61    72    73   0.19450  1.0 3.0
   63    48   -51    52   0.23400  1.0 3.0
   63    48   -51    61   0.02550  1.0 1.0
   63    48   -51    61  -0.02600 -1.0 2.0
   63    48   -51    61   1.20400  1.0 3.0
   63    48    53    54   0.23400  1.0 3.0
   63    48    53    55   0.23400  1.0 3.0
   63    48    53    56   0.23400  1.0 3.0
   63    51   -61    33   0.02550  1.0 1.0
   63    51   -61    33  -0.02600 -1.0 2.0
   63    51   -61    33   1.20400  1.0 3.0
   63    51    61    62   0.23400  1.0 3.0
   63    51    61    72   3.69350  1.0 1.0
   63    51    61    72  -1.82950 -1.0 2.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    61   0.56750  1.0 1.0
   53    48    51    61  -0.07550 -1.0 2.0
   53    48    51    61   0.20000  1.0 3.0
   53    48   -51    63   0.02550  1.0 1.0
   53    48   -51    63  -0.02600 -1.0 2.0
   53    48   -51    63   1.20400  1.0 3.0
   53    48   -63    51   0.06250  1.0 1.0
   53    48   -63    51  -0.01100 -1.0 2.0
   53    48   -63    51   0.28050  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
   35    30    34    36  10.50000 -1.0 2.0
   49    64    57    66   1.10000 -1.0 2.0
   57    74    64    65  10.50000 -1.0 2.0
   67    68    66    57   1.10000 -1.0 2.0
END
