* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    215     390
    1     0 S   NP   _N1_     1    28.88174    95.92246   -25.15131
    2     1 S   H    _HN1     2     1.02799   118.89009  -106.44230
    3     1 S   H    _H1_     3     1.02947    75.95383    -2.96551
    4     1 S   H    _H2_     4     1.02826    31.14673   177.15153
    5     1 S   CT   _CA1     5     1.50137   123.19660   102.47222
    6     5 S   HC   _HA1     6     1.09572   105.15410    91.53788
    7     5 S   CO3  _C1_     7     1.53766   112.44707   -28.69641
    8     7 S   O2Z  _O11     8     1.26383   115.00019   -42.72663
    9     7 S   O2Z  _O12     9     1.26228   114.94574   136.22485
   10     5 S   CT   _CB1    10     1.53046   107.39523  -150.46540
   11    10 S   HC   HB11    11     1.09847   109.35649   -48.86714
   12    10 S   HC   HB12    12     1.09810   110.47026    67.72292
   13    10 S   CT   _CG1    13     1.53044   112.65718  -169.75877
   14    13 S   HC   HG11    14     1.09559   110.81078   -67.70131
   15    13 S   HC   HG12    15     1.09663   109.65256    51.56511
   16    13 S   C    _CD1    16     1.51814   111.76919   172.14087
   17    16 S   O    _OE1    17     1.22778   123.08073    16.29894
   18    16 S   N    _N2_    18     1.38626   111.99098  -163.80876
   19    18 S   H    _HN2    19     1.01602   119.06467     0.74441
   20    18 S   CT1  _CA2    20     1.46242   123.33228   176.23184
   21    20 S   HC   _HA2    21     1.09737   109.23616     9.29492
   22    20 S   C    _C2_    22     1.53725   109.08637  -106.28962
   23    22 S   O    _O2_    23     1.23096   122.15549  -150.18332
   24    20 S   CT   _CB2    32     1.53356   111.57709   131.23725
   25    24 S   HC   HB21    33     1.09467   109.67809    57.05066
   26    24 S   HC   HB22    34     1.09509   110.21490   176.02926
   27    22 S   N    _N3_    24     1.38289   113.98429    37.34434
   28    27 S   H    _HN3    25     1.01524   119.63253    -3.24805
   29    24 S   S    _SG2    35     1.82725   111.50138   -64.04945
   30    27 S   CT   _CA3    26     1.45278   123.33369   177.27473
   31    30 S   HC   HA31    27     1.09545   107.52107   -64.94682
   32    30 S   HC   HA32    28     1.09555   108.00029    51.52611
   33    29 S   CT   _C16    36     1.84217    99.92213  -174.44078
   34    33 S   HC   _H6_    37     1.09866   105.65338    54.70235
   35    30 S   CO3  _C3_    29     1.52988   114.00841   173.53801
   36    35 S   O2Z  _O31    30     1.26391   116.08282     0.22555
   37    35 S   O2Z  _O32    31     1.26423   114.41975  -179.72446
   38    33 S   CT   _C17    38     1.54085   108.13380   169.07557
   39    38 S   HC   _H14    39     1.09607   110.35134   -52.79510
   40    38 S   HC   _H15    40     1.09422   112.35607    66.74536
   41    38 S   S    _S2_    41     1.82797   111.96111  -170.67894
   42    41 S   C4T  _C13    42     1.82665    96.66212   -58.69073
   43    42 S   HC   _H4_    43     1.09441   114.56251   -76.96000
   44    42 S   C4T  _C12    44     1.55610   116.01457   146.41616
   45    44 S   HC   _H3_    45     1.09687   113.26119   141.67146
   46    42 S   N4   _N7_    48     1.45545   108.87654    50.68160
   47    44 S   C4   _C14    46     1.55302    85.21901  -105.73964
   48    47 S   O    _O36    47     1.20915   136.81248   174.64057
   49    33 S   CT1  _C15    49     1.54426   113.43086   -63.66094
   50    49 S   HC   _H5_    50     1.09822   107.87024    72.94549
   51    44 S   N    _N6_    54     1.47610   117.41315     9.96387
   52    51 S   H    _H13    55     1.01913   119.07438    10.44340
   53    49 S   CO3  _C18    51     1.54522   116.01785   -47.18193
   54    53 S   O2Z  _O38    52     1.26259   116.10282   -58.98029
   55    53 S   O2Z  _O37    53     1.26508   114.62723   121.57263
   56    51 S   C    _C11    56     1.38323   122.52917  -170.88393
   57    56 S   O    _O35    57     1.22693   125.84019    -0.93712
   58    56 S   CM   _C7_    58     1.49395   112.95814   176.72499
   59    58 S   C5B  _C5_    59     1.43725   118.21551  -105.47623
   60    58 S   CM   _C8_    68     1.34876   117.62488    75.36368
   61    60 S   HC   _H10    69     1.09021   118.37838   179.83214
   62    59 S   C5A  _C4_    60     1.38059   125.57373     6.52982
   63    62 S   HA   _H7_    61     1.08145   129.44134    -0.19782
   64    60 S   CT   _C9_    70     1.50299   127.96682     1.27472
   65    64 S   HC   _H11    71     1.09624   109.09480   127.95319
   66    64 S   HC   _H12    72     1.09425   113.40170     9.47660
   67    62 S   SA   _S1_    62     1.71278   109.85687   179.72446
   68    64 S   CO3  _C10    73     1.52613   108.04471  -112.28179
   69    68 S   O2Z  _O34    74     1.26346   115.18789   -97.90094
   70    68 S   O2Z  _O33    75     1.26400   115.14113    82.69893
   71    67 S   CRA  _C6_    63     1.72404    89.93343    -0.09487
   72    59 S   N5B  _N4_    64     1.38516   119.54520  -173.95545
   73    71 S   NE   _N5_    65     1.34662   120.32234  -180.00000
   74    73 S   H    _H8_    66     1.01406   121.39976   179.90513
   75    73 S   H    _H9_    67     1.01387   122.00615    -0.00000
  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
  13   8   2   1   1  10   4   3   8  12   6  10   6   8   7   2
   4   3   6   3   2   1   1   8   3  12   9   9   4   5   3   5
   4   3   5   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    49    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    47    46    49    50    53    54    55  
   38    39    40    41    46    49    50    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    49    50    53  
   40    41    42    49  
   41    42    49  
   42    43    44    45    47    46    49    51  
   43    44    45    47    48    46    49    50    53    51    52    56  
   44    45    47    46    49    51  
   45    47    48    46    49    51    52    56    57    58  
   47    48    46    51    52    56  
   49    50    53    54    55    51    47    48  
   48    49    50    53    51    52    56  
   49    51  
   50    53    54    55  
   53    54    55  
   52    56    57    58    59    60  
   56    57    58  
   54    55  
   55  
    0  
   57    58    59    62    72    60    61    64  
   58    59    60  
   59    62    63    67    71    72    60    61    64    65    66    68  
   62    63    67    71    72    73    60    61    64  
   61    64    65    66    68    69    70    62    72  
   64    65    66    68  
   63    67    71    72    73  
   67    71    72  
   65    66    68    69    70  
   66    68    69    70  
   68    69    70  
   71    72    73    74    75  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   73   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.360000   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   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   222.000  1.810
   41    42   200.000  1.824
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   305.000  1.456
   44    45   340.000  1.090
   44    47   250.000  1.540
   44    51   337.000  1.449
   47    48   930.000  1.212
   47    46   440.000  1.369
   46    49   337.000  1.449
   49    50   340.000  1.090
   49    53   317.000  1.522
   53    54   656.000  1.250
   53    55   656.000  1.250
   51    52   434.000  1.010
   51    56   490.000  1.335
   56    57   570.000  1.229
   56    58   410.000  1.444
   58    59   320.000  1.460
   58    60   549.000  1.340
   59    62   520.000  1.370
   59    72   410.000  1.394
   62    63   367.000  1.080
   62    67   265.000  1.745
   67    71   250.000  1.765
   71    72   488.000  1.335
   71    73   420.000  1.385
   73    74   434.000  1.010
   73    75   434.000  1.010
   60    61   340.000  1.080
   60    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   317.000  1.522
   68    69   656.000  1.250
   68    70   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  111.63000
   33    49    46    80.00000  109.70000
   33    49    50    37.50000  110.70000
   33    49    53    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    85.00000   99.86700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    43    45.00000  109.41400
   41    42    44    65.00000  119.05700
   41    42    46    80.00000  108.62000
   42    44    45    37.50000  110.70000
   42    44    47   100.00000   86.36000
   42    44    51    80.00000  110.05700
   42    46    47   100.00000   93.00000
   42    46    49    50.00000  132.70000
   44    42    43    37.50000  110.70000
   44    47    48    60.00000  136.58000
   44    47    46    95.00000   92.72400
   44    51    52    38.00000  118.40000
   44    51    56    50.00000  121.90000
   47    44    45    40.00000  113.37500
   47    46    49    50.00000  132.10000
   46    42    43    50.00000  112.01000
   46    42    44   105.00000   87.49700
   46    47    48    75.00000  131.60000
   46    49    50    35.00000  109.50000
   46    49    53    63.00000  110.10000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    53    54    70.00000  117.00000
   49    53    55    70.00000  117.00000
   53    49    50    35.00000  109.50000
   55    53    54    80.00000  126.00000
   51    44    45    50.00000  112.01000
   51    44    47    75.00000  110.24000
   51    56    57    80.00000  122.90000
   51    56    58    80.00000  111.56200
   56    51    52    35.00000  119.80000
   56    58    59    75.00000  114.44000
   56    58    60    70.00000  118.70000
   58    56    57    80.00000  125.30000
   58    59    62    60.00000  120.93500
   58    59    72    70.00000  118.40000
   58    60    61    35.00000  120.00000
   58    60    64    70.00000  124.00000
   59    62    63    35.00000  130.70000
   59    62    67    80.00000  111.29200
   59    72    71    70.00000  110.00000
   62    67    71   120.00000   89.04400
   67    62    63    40.00000  122.38200
   67    71    72    80.00000  114.57700
   67    71    73    70.00000  122.29500
   71    73    74    35.00000  113.50000
   71    73    75    35.00000  113.50000
   72    59    62    70.00000  111.00000
   73    71    72    75.00000  125.31200
   75    73    74    35.00000  109.00000
   60    58    59    60.00000  123.20500
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    68    65.00000  111.94000
   64    60    61    35.00000  117.00000
   64    68    69    70.00000  117.00000
   64    68    70    70.00000  117.00000
   66    64    65    33.00000  107.80000
   68    64    65    35.00000  109.50000
   68    64    66    35.00000  109.50000
   70    68    69    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    46   0.71400  1.0 1.0
   29    33    49    46   0.04300 -1.0 2.0
   29    33    49    46   0.01450  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53  -2.17200  1.0 1.0
   29    33    49    53  -0.85700 -1.0 2.0
   33    38    41    42  -0.25000 -1.0 2.0
   33    38    41    42  -0.01800  1.0 3.0
   33    49    53    54   0.00000  1.0 1.0
   33    49    53    55   0.00000  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    46   0.23200  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53  -0.03800  1.0 3.0
   38    33    49    46   0.42250  1.0 1.0
   38    33    49    46  -0.48100 -1.0 2.0
   38    33    49    46   0.35650  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    53  -0.84850  1.0 1.0
   38    33    49    53  -0.22800 -1.0 2.0
   38    33    49    53   0.29250  1.0 3.0
   38    41    42    43   0.00000  1.0 1.0
   38    41    42    44   0.25150  1.0 1.0
   38    41    42    44  -1.17200 -1.0 2.0
   38    41    42    44   0.53050  1.0 3.0
   38    41   -42    46   0.01700  1.0 1.0
   38    41   -42    46  -0.23550 -1.0 2.0
   38    41   -42    46   0.21350  1.0 3.0
   39    38    41    42   0.32350  1.0 3.0
   40    38    41    42   0.32350  1.0 3.0
   41    42    44    45   0.00000  1.0 1.0
   41    42    44    47   0.00000  1.0 1.0
   41    42    44    51   0.00000  1.0 1.0
   41    42   -46    47   0.00000  1.0 1.0
   41    42    46    49   0.00000  1.0 1.0
   42    44    47    48  -0.11250  1.0 1.0
   42    44    47    48   0.11400 -1.0 2.0
   42    44    47    48  -0.28950  1.0 3.0
   42    44   -47    46   3.00000 -1.0 2.0
   42    44    51    52   0.00000  1.0 1.0
   42    44    51    56  -0.43950  1.0 1.0
   42    44    51    56  -0.08100 -1.0 2.0
   42    44    51    56   0.03350  1.0 3.0
   42    46   -49    33   0.00000  1.0 1.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    53   0.00000  1.0 1.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    51   0.15000  1.0 3.0
   43    42   -46    47   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   44    42   -46    47   0.00000  1.0 1.0
   44    42    46    49   0.00000  1.0 1.0
   44    47   -46    42   3.00000 -1.0 2.0
   44    47   -46    49   3.00000 -1.0 2.0
   44    51    56    57   3.04450 -1.0 2.0
   44    51    56    58   1.49850  1.0 1.0
   44    51    56    58   1.53950 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    46   0.00000  1.0 1.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    56   0.00000  1.0 1.0
   47    44    51    52   0.00000  1.0 1.0
   47    44    51    56  -0.42300  1.0 1.0
   47    44    51    56  -0.07000 -1.0 2.0
   47    44    51    56   0.04150  1.0 3.0
   47    46    49    33   0.00000  1.0 1.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    53   0.00000  1.0 1.0
   48    47   -46    42   3.00000 -1.0 2.0
   48    47    46    49   3.00000 -1.0 2.0
   46    42   -44    45   0.15000  1.0 3.0
   46    42   -44    47   3.00000 -1.0 2.0
   46    42    44    51   2.20050  1.0 1.0
   46    42    44    51   0.63450 -1.0 2.0
   46    42    44    51  -0.91300  1.0 3.0
   46    49    53    54   0.00000  1.0 1.0
   46    49    53    55   0.00000  1.0 1.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.44750  1.0 1.0
   49    33   -38    41  -0.17800 -1.0 2.0
   49    33   -38    41   0.20200  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   51    44    47    48   0.30150 -1.0 2.0
   51    44   -47    46   0.00000  1.0 1.0
   51    56    58    59   1.50000 -1.0 2.0
   51    56    58    60   0.49500  1.0 1.0
   51    56    58    60   1.31600 -1.0 2.0
   51    56    58    60  -0.02300  1.0 3.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    58   2.56700 -1.0 2.0
   56    58    59    62  -0.01750  1.0 1.0
   56    58    59    62  -0.32000 -1.0 2.0
   56    58    59    62   0.00600  1.0 3.0
   56    58    59    72  -0.01750  1.0 1.0
   56    58    59    72  -0.32000 -1.0 2.0
   56    58    59    72   0.00600  1.0 3.0
   56    58    60    61   7.00000 -1.0 2.0
   56    58    60    64   7.00000 -1.0 2.0
   57    56    58    59  -0.52200  1.0 1.0
   57    56    58    59   0.82950 -1.0 2.0
   57    56    58    60   1.00000 -1.0 2.0
   58    59    62    63   3.62500 -1.0 2.0
   58    59    62    67   3.62500 -1.0 2.0
   58    59    72    71   3.62500 -1.0 2.0
   58    60    64    65   0.00000  1.0 1.0
   58    60    64    66   0.00000  1.0 1.0
   58    60    64    68  -0.51250  1.0 1.0
   58    60    64    68  -0.88800 -1.0 2.0
   58    60    64    68   0.08850  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    64   7.00000 -1.0 2.0
   59    62   -67    71   3.62500 -1.0 2.0
   62    59   -72    71   2.40000 -1.0 2.0
   62    67   -71    72   3.62500 -1.0 2.0
   62    67    71    73   3.62500 -1.0 2.0
   63    62    67    71   3.62500 -1.0 2.0
   67    71   -72    59   3.62500 -1.0 2.0
   67    71    73    74   0.47600 -1.0 2.0
   67    71    73    75   0.47600 -1.0 2.0
   72    59    62    63   3.62500 -1.0 2.0
   72    59   -62    67   3.62500 -1.0 2.0
   72    71    73    74   1.75000 -1.0 2.0
   72    71    73    75   1.75000 -1.0 2.0
   73    71    72    59   3.62500 -1.0 2.0
   60    58    59    62   0.15800  1.0 1.0
   60    58    59    62   1.85350 -1.0 2.0
   60    58    59    62  -0.48700  1.0 3.0
   60    58    59    72   0.11450  1.0 1.0
   60    58    59    72   1.85100 -1.0 2.0
   60    58    59    72  -0.49050  1.0 3.0
   60    64    68    69   0.30150 -1.0 2.0
   60    64    68    70   0.30150 -1.0 2.0
   61    60    64    65   0.33100  1.0 3.0
   61    60    64    66   0.33100  1.0 3.0
   61    60    64    68   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   66    64    68    69   0.00000  1.0 1.0
   66    64    68    70   0.00000  1.0 1.0
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
   44    46    47    48  10.50000 -1.0 2.0
   49    47    46    42   1.00000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
   52    56    51    44   1.00000 -1.0 2.0
   51    58    56    57  10.50000 -1.0 2.0
   56    59    58    60  15.00000 -1.0 2.0
   62    72    59    58   4.00000 -1.0 2.0
   67    63    62    59   1.10000 -1.0 2.0
   72    73    71    67   4.00000 -1.0 2.0
   75    71    73    74   1.00000 -1.0 2.0
   64    61    60    58  15.00000 -1.0 2.0
   69    64    68    70  10.50000 -1.0 2.0
END
