* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    213     414
    1     0 S   NP   _N1_     1    28.67218    95.98992   -23.26399
    2     1 S   H    _HN1     2     1.02782   102.91351   -90.21044
    3     1 S   H    _H1_     3     1.02952    75.26215    15.68926
    4     1 S   H    _H2_     4     1.02827    36.04654   167.02445
    5     1 S   CT   _CA1     5     1.50119   139.46627   119.95677
    6     5 S   HC   _HA1     6     1.09575   105.19389    86.63504
    7     5 S   CO3  _C1_     7     1.53788   112.45938   -33.56607
    8     7 S   O2Z  _O11     8     1.26370   115.00328   -42.35677
    9     7 S   O2Z  _O12     9     1.26243   114.94574   136.76392
   10     5 S   CT   _CB1    10     1.53082   107.40991  -155.41414
   11    10 S   HC   HB11    11     1.09831   109.33912   -50.01539
   12    10 S   HC   HB12    12     1.09813   110.45273    66.58158
   13    10 S   CT   _CG1    13     1.52981   112.61939  -171.02635
   14    13 S   HC   HG11    14     1.09587   110.58173   -65.73671
   15    13 S   HC   HG12    15     1.09671   109.82544    53.48810
   16    13 S   C    _CD1    16     1.51804   112.28300   173.89112
   17    16 S   O    _OE1    17     1.22726   123.31737     5.02028
   18    16 S   N    _N2_    18     1.38653   111.62636  -174.97048
   19    18 S   H    _HN2    19     1.01581   118.91767     1.62618
   20    18 S   CT1  _CA2    20     1.46193   123.40893   177.68168
   21    20 S   HC   _HA2    21     1.09734   109.39245     1.19992
   22    20 S   C    _C2_    22     1.53527   108.53507  -114.28723
   23    22 S   O    _O2_    23     1.23054   122.29995  -147.69294
   24    20 S   CT   _CB2    32     1.53339   111.57190   123.24753
   25    24 S   HC   HB21    33     1.09590   109.97132    55.89258
   26    24 S   HC   HB22    34     1.09407   110.06231   174.88105
   27    22 S   N    _N3_    24     1.38334   113.67069    39.73810
   28    27 S   H    _HN3    25     1.01596   119.57719    -3.34837
   29    24 S   S    _SG2    35     1.82883   111.44662   -64.88348
   30    27 S   CT   _CA3    26     1.45288   123.19510   177.11860
   31    30 S   HC   HA31    27     1.09551   107.51162   -64.47256
   32    30 S   HC   HA32    28     1.09559   107.97772    51.95858
   33    29 S   CT   _C10    36     1.84976    99.90290   174.86924
   34    33 S   HC   _H4_    37     1.09060   104.12921   -35.57948
   35    30 S   CO3  _C3_    29     1.52958   114.09356   173.95662
   36    35 S   O2Z  _O31    30     1.26374   116.06803    -0.61866
   37    35 S   O2Z  _O32    31     1.26429   114.41126   179.43977
   38    33 S   CT   _C11    38     1.54932   109.59939    79.41161
   39    38 S   HC   _H15    39     1.09742   109.32800    67.28056
   40    38 S   HC   _H16    40     1.09794   109.71179   -48.29680
   41    33 S   CT   _C9_    61     1.56248   111.94150  -152.00665
   42    41 S   HC   _H3_    62     1.09547   110.29690  -158.11181
   43    38 S   CT   _C12    41     1.54888   114.85890  -169.74397
   44    43 S   HC   _H5_    42     1.09251   108.92232   -62.09338
   45    41 S   CO4  _C18    63     1.52752   113.37017   -42.03576
   46    45 S   O    _O35    64     1.22391   125.12706   103.14998
   47    43 S   CM   _C16    43     1.49080   112.01117   177.89011
   48    45 S   OS   _O36    65     1.36617   109.48553   -76.96794
   49    47 S   CO4  _C15    44     1.47121   110.28538  -110.33013
   50    49 S   O    _O34    45     1.21767   126.91283   174.55108
   51    48 S   CT   _C19    66     1.43030   115.26633   179.28099
   52    51 S   HC   _H21    67     1.09327   108.08711  -179.41717
   53    51 S   HC   _H22    68     1.09416   110.28088    61.89162
   54    51 S   HC   _H23    69     1.09424   110.29858   -60.75486
   55    47 S   CM   _C17    74     1.33628   127.80919    71.35916
   56    55 S   HC   _H19    75     1.08511   120.76116    -0.86570
   57    55 S   HC   _H20    76     1.08513   121.81003   179.09302
   58    49 S   OS   _O33    46     1.35883   107.38926    -5.02531
   59    43 S   CT   _C13    47     1.53966   113.91960    63.61734
   60    59 S   HC   _H6_    48     1.09428   111.78703    -8.41746
   61    59 S   CT   _C14    49     1.54726   114.75130  -133.36121
   62    61 S   HC   _H17    50     1.09825   108.70784   -68.21718
   63    61 S   HC   _H18    51     1.09771   109.67404   177.82831
   64    61 S   CM   _C5_    52     1.51698   113.44370    54.71649
   65    64 S   CM   _C6_    53     1.34799   119.74281    54.51920
   66    65 S   HC   _H10    54     1.08889   118.22622     9.86863
   67    64 S   CT   _C4_    70     1.50399   114.88954  -119.68068
   68    67 S   HC   _H7_    71     1.09564   109.76769   -54.51192
   69    67 S   HC   _H8_    72     1.09198   113.40498  -173.38743
   70    67 S   HC   _H9_    73     1.09422   110.63337    64.90047
   71    65 S   CT   _C7_    55     1.50180   127.15981  -160.97036
   72    71 S   HC   _H11    56     1.09610   109.08880  -128.69051
   73    71 S   HC   _H12    57     1.09336   111.97536   -11.31738
   74    71 S   CT   _C8_    58     1.54901   112.10333   110.21168
   75    74 S   HC   _H13    59     1.09737   108.97850    76.42519
   76    74 S   HC   _H14    60     1.09696   106.68564  -169.85627
  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
  17   8   2   1   1  15   6   5  13   7  14   7  10   3   9   5
   8   3   3   2   1   1   4   1   1   6   7   4  10   4   3  10
  11   5   4   2   1   1   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    74    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    59    71    74    75    76    41    42    45    46    48  
   38    39    40    43    74    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    47    49    58    59    60    61    74    41    42    45    55  
   40    43    44    47    59    41  
   43    44    47    59    41  
   42    45    46    48    51    43    65    71    72    73    74    75    76  
   45    46    48    71    74    75    76  
   44    47    49    50    58    59    60    61    62    63    64    55    56    57  
   47    49    58    59    60    61    55  
   46    48    51    52    53    54    71    74    75    76  
   48    51    74  
   49    50    58    59    60    61    55    56    57  
   51    52    53    54    74  
   50    58    59    60    61    55    56    57  
   58    59    55  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62    63    64    65    67  
   61    62    63    64  
   62    63    64    65    66    71    67    68    69    70  
   63    64    65    67  
   64    65    67  
   65    66    71    72    73    74    67    68    69    70  
   66    71    72    73    74    75    76    67    68    69    70  
   71    72    73    74    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    59   268.000  1.529
   47    49   320.000  1.462
   47    55   549.000  1.340
   49    50   570.000  1.229
   49    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    41   268.000  1.529
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   570.000  1.229
   45    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.080
   55    57   340.000  1.080
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    74    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    70.00000  112.02700
   38    43    59    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    47    49    65.00000  116.34900
   43    47    55    70.00000  124.00000
   43    59    58    50.00000  109.50000
   43    59    60    37.50000  110.70000
   43    59    61    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    49    50    80.00000  123.72100
   47    49    58    90.00000  111.29400
   47    55    56    35.00000  120.00000
   47    55    57    35.00000  120.00000
   49    58    59    83.00000  116.90000
   58    49    50    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    43    44    37.50000  110.70000
   59    43    47    70.00000  112.02700
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    70.00000  112.02700
   61    59    60    37.50000  110.70000
   61    64    65    70.00000  124.00000
   61    64    67    65.00000  117.92700
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    71    70.00000  124.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    70.00000  112.02700
   71    65    66    35.00000  117.00000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    41    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    41    42    37.50000  110.70000
   74    41    45    63.00000  111.10000
   76    74    75    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    74    75    37.50000  110.70000
   41    74    76    37.50000  110.70000
   41    45    46    80.00000  120.40000
   41    45    48    81.00000  111.40000
   45    41    42    35.00000  109.50000
   45    48    51    83.00000  116.90000
   48    45    46    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    47    49    65.00000  118.96000
   57    55    56    35.00000  117.00000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    74   0.44750  1.0 1.0
   29    33    41    74  -0.17800 -1.0 2.0
   29    33    41    74   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.34400  1.0 1.0
   33    38    43    47   0.09450 -1.0 2.0
   33    38    43    47   0.11100  1.0 3.0
   33    38    43    59   0.56750  1.0 1.0
   33    38    43    59  -0.07550 -1.0 2.0
   33    38    43    59   0.20000  1.0 3.0
   33    41    45    46   0.30150 -1.0 2.0
   33    41    45    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    74   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   38    33    41    74   0.56750  1.0 1.0
   38    33    41    74  -0.07550 -1.0 2.0
   38    33    41    74   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -0.95700  1.0 1.0
   38    33    41    45  -0.18200 -1.0 2.0
   38    33    41    45   0.29450  1.0 3.0
   38    43    47    49   0.09700  1.0 1.0
   38    43    47    49   0.15600 -1.0 2.0
   38    43    47    49  -0.50800  1.0 3.0
   38    43    47    55   0.09850  1.0 1.0
   38    43    47    55   0.15250 -1.0 2.0
   38    43    47    55  -0.50650  1.0 3.0
   38    43    59    58   0.62750  1.0 1.0
   38    43    59    58  -0.30950 -1.0 2.0
   38    43    59    58   0.27300  1.0 3.0
   38    43    59    60   0.15000  1.0 3.0
   38    43    59    61   0.56750  1.0 1.0
   38    43    59    61  -0.07550 -1.0 2.0
   38    43    59    61   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.15000  1.0 3.0
   39    38    43    59   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.15000  1.0 3.0
   40    38    43    59   0.15000  1.0 3.0
   43    47    49    50  -0.64400  1.0 1.0
   43    47    49    50   0.26850 -1.0 2.0
   43    47   -49    58  -0.15000  1.0 1.0
   43    47   -49    58   0.89550 -1.0 2.0
   43    47   -49    58  -0.06900  1.0 3.0
   43    47    55    56   7.00000 -1.0 2.0
   43    47    55    57   7.00000 -1.0 2.0
   43    59    61    62   0.15000  1.0 3.0
   43    59    61    63   0.15000  1.0 3.0
   43    59    61    64   0.34400  1.0 1.0
   43    59    61    64   0.09450 -1.0 2.0
   43    59    61    64   0.11100  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    55   0.00000  1.0 1.0
   44    43    59    58   0.23400  1.0 3.0
   44    43    59    60   0.15000  1.0 3.0
   44    43    59    61   0.15000  1.0 3.0
   47    43   -59    58   0.61850  1.0 1.0
   47    43   -59    58  -0.22750 -1.0 2.0
   47    43   -59    58   0.15300  1.0 3.0
   47    43    59    60   0.15000  1.0 3.0
   47    43    59    61   0.34400  1.0 1.0
   47    43    59    61   0.09450 -1.0 2.0
   47    43    59    61   0.11100  1.0 3.0
   47    49   -58    59   2.00000 -1.0 2.0
   49    47    55    56   7.00000 -1.0 2.0
   49    47    55    57   7.00000 -1.0 2.0
   49    58   -59    43  -0.25900  1.0 1.0
   49    58   -59    43  -0.47000 -1.0 2.0
   49    58   -59    43   0.11750  1.0 3.0
   49    58    59    60   0.08050  1.0 3.0
   49    58    59    61  -0.25900  1.0 1.0
   49    58    59    61  -0.47000 -1.0 2.0
   49    58    59    61   0.11750  1.0 3.0
   50    49    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.23400  1.0 3.0
   58    59    61    64   0.61850  1.0 1.0
   58    59    61    64  -0.22750 -1.0 2.0
   58    59    61    64   0.15300  1.0 3.0
   59    43   -47    49   0.09700  1.0 1.0
   59    43   -47    49   0.15600 -1.0 2.0
   59    43   -47    49  -0.50800  1.0 3.0
   59    43    47    55   0.09850  1.0 1.0
   59    43    47    55   0.15250 -1.0 2.0
   59    43    47    55  -0.50650  1.0 3.0
   59    61    64    65   0.09850  1.0 1.0
   59    61    64    65   0.15250 -1.0 2.0
   59    61    64    65  -0.50650  1.0 3.0
   59    61    64    67   0.46850  1.0 1.0
   59    61    64    67   0.08550 -1.0 2.0
   59    61    64    67   0.09800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   61    64    65    66   7.00000 -1.0 2.0
   61    64    65    71   7.00000 -1.0 2.0
   61    64    67    68   0.34800  1.0 3.0
   61    64    67    69   0.34800  1.0 3.0
   61    64    67    70   0.34800  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   0.34800  1.0 3.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    67   0.34800  1.0 3.0
   64    65    71    72   0.00000  1.0 1.0
   64    65    71    73   0.00000  1.0 1.0
   64    65    71    74   0.09850  1.0 1.0
   64    65    71    74   0.15250 -1.0 2.0
   64    65    71    74  -0.50650  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    74    75   0.15000  1.0 3.0
   65    71    74    76   0.15000  1.0 3.0
   65    71    74    41   0.34400  1.0 1.0
   65    71    74    41   0.09450 -1.0 2.0
   65    71    74    41   0.11100  1.0 3.0
   66    65    71    72   0.33100  1.0 3.0
   66    65    71    73   0.33100  1.0 3.0
   66    65    71    74   0.00000  1.0 1.0
   71    74    41    33   0.56750  1.0 1.0
   71    74    41    33  -0.07550 -1.0 2.0
   71    74    41    33   0.20000  1.0 3.0
   71    74    41    42   0.15000  1.0 3.0
   71    74    41    45  -0.95700  1.0 1.0
   71    74    41    45  -0.18200 -1.0 2.0
   71    74    41    45   0.29450  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    41   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    41   0.15000  1.0 3.0
   74    41    45    46   0.30150 -1.0 2.0
   74    41    45    48   0.36750  1.0 3.0
   75    74    41    33   0.15000  1.0 3.0
   75    74    41    42   0.15000  1.0 3.0
   75    74    41    45  -0.11250  1.0 3.0
   76    74    41    33   0.15000  1.0 3.0
   76    74    41    42   0.15000  1.0 3.0
   76    74    41    45  -0.11250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    45    48    51   1.63150  1.0 1.0
   41    45    48    51   2.92000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
   45    48    51    52   0.08050  1.0 3.0
   45    48    51    53   0.08050  1.0 3.0
   45    48    51    54   0.08050  1.0 3.0
   46    45    48    51   3.00000 -1.0 2.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   55    47    49    50   1.00000 -1.0 2.0
   55    47    49    58  -0.56150  1.0 1.0
   55    47    49    58   2.19150 -1.0 2.0
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
   43    49    47    55   1.10000 -1.0 2.0
   47    58    49    50  10.50000 -1.0 2.0
   61    67    64    65   1.10000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   41    48    45    46  10.50000 -1.0 2.0
   56    57    55    47   1.10000 -1.0 2.0
END
