* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    225     420
    1     0 S   NP   _N1_     1    28.86683    95.48808   -24.54247
    2     1 S   H    _HN1     2     1.02947    76.19578     8.77913
    3     1 S   H    _H1_     3     1.02826    31.15841  -178.97952
    4     1 S   H    _H2_     4     1.02791   114.84455   -95.35593
    5     1 S   CT   _CA1     5     1.50136   127.06953   114.08338
    6     5 S   HC   _HA1     6     1.09575   105.13731    89.84913
    7     5 S   CO3  _C1_     7     1.53763   112.51910   -30.28739
    8     7 S   O2Z  _O11     8     1.26373   115.00003   -40.96529
    9     7 S   O2Z  _O12     9     1.26241   114.94297   138.00975
   10     5 S   CT   _CB1    10     1.53058   107.39082  -152.21024
   11    10 S   HC   HB11    11     1.09841   109.26013   -49.48782
   12    10 S   HC   HB12    12     1.09810   110.48943    67.09115
   13    10 S   CT   _CG1    13     1.53017   112.67525  -170.44939
   14    13 S   HC   HG11    14     1.09569   110.71544   -68.46600
   15    13 S   HC   HG12    15     1.09673   109.69902    50.78264
   16    13 S   C    _CD1    16     1.51817   112.01440   171.20134
   17    16 S   O    _OE1    17     1.22752   123.19765    12.17877
   18    16 S   N    _N2_    18     1.38654   111.81354  -167.67022
   19    18 S   H    _HN2    19     1.01565   118.95297     0.92704
   20    18 S   CT1  _CA2    20     1.46231   123.37974   176.11234
   21    20 S   HC   _HA2    21     1.09745   109.32814     7.85240
   22    20 S   C    _C2_    22     1.53710   108.67907  -107.60536
   23    22 S   O    _O2_    23     1.23080   122.27167  -147.74655
   24    20 S   CT   _CB2    32     1.53535   111.68473   129.97485
   25    24 S   HC   HB21    33     1.09359   109.47224    56.57374
   26    24 S   HC   HB22    34     1.09358   109.29735   175.41606
   27    22 S   N    _N3_    24     1.38318   113.84431    39.68503
   28    27 S   H    _HN3    25     1.01542   119.62856    -2.95333
   29    24 S   S    _SG2    35     1.82800   111.04092   -65.00081
   30    27 S   CT   _CA3    26     1.45284   123.30558   177.32585
   31    30 S   HC   HA31    27     1.09546   107.48827   -65.48683
   32    30 S   HC   HA32    28     1.09554   108.03014    50.98348
   33    29 S   CT   _C11    36     1.87390   103.02118   176.11365
   34    30 S   CO3  _C3_    29     1.52984   114.02351   172.99929
   35    34 S   O2Z  _O31    30     1.26386   116.07534    -0.60393
   36    34 S   O2Z  _O32    31     1.26425   114.41719   179.45715
   37    33 S   CT   _C12    37     1.57859   112.07013    49.07867
   38    37 S   HC   _H14    38     1.09842   108.23425   -64.92793
   39    37 S   HC   _H15    39     1.09965   108.13832  -176.99965
   40    33 S   CT   _C10    60     1.61891   111.34262   173.76420
   41    40 S   OM   _O34    61     1.32770   110.35083    81.28831
   42    40 S   HC   _H5_    62     1.09951   102.67037  -154.08959
   43    33 S   CT   _C15    71     1.56160   107.14412   -65.03367
   44    43 S   HC   _H18    72     1.09626   112.65370   -51.85078
   45    43 S   HC   _H19    73     1.09720   110.48816  -172.52919
   46    43 S   HC   _H20    74     1.09515   112.37924    69.14089
   47    37 S   CT   _C13    40     1.53763   120.63480    57.57781
   48    47 S   HC   _H16    41     1.09764   107.43119  -160.72066
   49    47 S   HC   _H17    42     1.09288   110.23457   -45.49085
   50    47 S   C3T  _C14    43     1.49680   113.23675    80.79628
   51    50 S   HC   _H6_    44     1.08135   113.79512    16.75555
   52    50 S   C3T  _C5_    45     1.52358   121.62833  -139.48607
   53    52 S   CT   _C6_    46     1.50356   116.56024   151.59798
   54    53 S   HC   _H10    47     1.09721   108.42251   147.57343
   55    53 S   HC   _H11    48     1.09736   110.85014    31.65915
   56    50 S   O3T  _O33    66     1.43542   116.57656   153.42779
   57    52 S   CT   _C4_    67     1.50186   123.06285    -7.34369
   58    57 S   HC   _H7_    68     1.09522   112.11620   -37.27979
   59    57 S   HC   _H8_    69     1.09509   110.42976  -156.69159
   60    57 S   HC   _H9_    70     1.09384   110.97933    83.47721
   61    53 S   CT   _C7_    49     1.53847   113.55128   -91.73417
   62    61 S   HC   _H12    50     1.09863   106.53803  -169.03249
   63    61 S   HC   _H13    51     1.09733   110.15899   -54.41542
   64    61 S   CT   _C8_    52     1.54741   114.63816    70.83932
   65    64 S   HC   _H3_    53     1.09576   109.20639    45.07920
   66    64 S   CM   _C17    54     1.49220   109.94004   167.73839
   67    66 S   CO4  _C16    55     1.47476   109.33688    98.06836
   68    67 S   O    _O36    56     1.21787   126.93792  -168.09900
   69    66 S   CM   _C18    63     1.33564   128.27500   -84.25668
   70    69 S   HC   _H21    64     1.08473   120.70657     1.18449
   71    69 S   HC   _H22    65     1.08489   121.66353  -178.56360
   72    67 S   OS   _O35    57     1.36222   106.99715    10.48023
   73    64 S   CT   _C9_    58     1.54083   113.83457   -80.93905
   74    73 S   HC   _H4_    59     1.08567   109.80880    20.11154
  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
  18   2   1   1  17   7   6  15   6   5   5   2   1   1   8   5
   4  11   4  12  14   7   6   5   4   2   1   1  10   5   4  10
   6   8   7   3   4   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    73    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    64    72    73    74    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    73    40    41    42    56    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    61    64    65    66    67    72    73    74  
   42    43    64    72    73    74  
   43    64    72    73    74  
   44    45    46    47    73  
   45    46  
   46  
    0  
   48    49    50    51    52    53    56    57  
   49    50    51    52    56  
   50    51    52    56  
   51    52    53    54    55    61    56    57    58    59    60  
   52    53    56    57  
   53    54    55    61    62    63    64    56    57    58    59    60  
   54    55    61    62    63    64    65    66    73    56    57    58    59    60  
   55    61    62    63    64    56    57  
   61    62    63    64    56    57  
   57    58    59    60    61  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67    72    73    74    69  
   63    64    65    66    73  
   64    65    66    73  
   65    66    67    68    72    73    74    69    70    71  
   66    67    72    73    74    69  
   67    68    72    73    74    69    70    71  
   68    72    73    74    69    70    71  
   72    73    69  
   70    71    72    73  
   71  
    0  
   73    74  
   74  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   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    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    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   275.000  1.510
   50    51   340.000  1.088
   50    52   260.000  1.509
   50    56   335.000  1.432
   52    53   275.000  1.510
   52    56   335.000  1.432
   52    57   275.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    73   268.000  1.529
   66    67   320.000  1.462
   66    69   549.000  1.340
   67    68   570.000  1.229
   67    72   214.000  1.327
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   69    70   340.000  1.080
   69    71   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    70.00000  112.37300
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    40.00000  115.04500
   47    50    52    60.00000  120.94000
   47    50    56    80.00000  116.47100
   49    47    48    33.00000  107.80000
   50    47    48    45.00000  109.38400
   50    47    49    45.00000  109.38400
   50    52    53    60.00000  120.94000
   50    52    56    15.00000   60.43100
   50    52    57    60.00000  120.94000
   50    56    52    15.00000   59.14900
   52    50    51    37.50000  117.20000
   52    53    54    45.00000  109.38400
   52    53    55    45.00000  109.38400
   52    53    61    70.00000  112.37300
   52    57    58    45.00000  109.38400
   52    57    59    45.00000  109.38400
   52    57    60    45.00000  109.38400
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    64    58.35000  112.70000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    70.00000  112.02700
   61    64    73    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    65.00000  116.34900
   64    66    69    70.00000  124.00000
   64    73    72    50.00000  109.50000
   64    73    74    37.50000  110.70000
   64    73    40    58.35000  112.70000
   66    64    65    35.00000  109.50000
   66    67    68    80.00000  123.72100
   66    67    72    90.00000  111.29400
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   67    72    73    83.00000  116.90000
   72    67    68    83.00000  123.40000
   72    73    74    35.00000  109.50000
   72    73    40    50.00000  109.50000
   73    64    65    37.50000  110.70000
   73    64    66    70.00000  112.02700
   73    40    41    50.00000  109.50000
   73    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   42    40    41    45.00000  125.66300
   69    66    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   56    50    51    50.00000  114.27700
   56    50    52    15.00000   60.43100
   56    52    53    80.00000  116.47100
   57    52    53    58.35000  112.70000
   57    52    56    80.00000  116.47100
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.47050  1.0 1.0
   33    37    47    50   0.03900 -1.0 2.0
   33    37    47    50   0.20100  1.0 3.0
   37    33    40    73   0.56750  1.0 1.0
   37    33    40    73  -0.07550 -1.0 2.0
   37    33    40    73   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.15000  1.0 3.0
   37    47    50    52   0.07850  1.0 1.0
   37    47    50    52  -0.03950 -1.0 2.0
   37    47    50    52   0.67350  1.0 3.0
   37    47    50    56   0.02550  1.0 1.0
   37    47    50    56  -0.02600 -1.0 2.0
   37    47    50    56   1.20400  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   0.56750  1.0 1.0
   47    50    52    53  -0.07550 -1.0 2.0
   47    50    52    53   0.20000  1.0 3.0
   47    50   -52    56   0.02550  1.0 1.0
   47    50   -52    56  -0.02600 -1.0 2.0
   47    50   -52    56   1.20400  1.0 3.0
   47    50    52    57   0.56750  1.0 1.0
   47    50    52    57  -0.07550 -1.0 2.0
   47    50    52    57   0.20000  1.0 3.0
   47    50   -56    52   0.06250  1.0 1.0
   47    50   -56    52  -0.01100 -1.0 2.0
   47    50   -56    52   0.28050  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    56   0.23400  1.0 3.0
   50    52    53    54   0.15000  1.0 3.0
   50    52    53    55   0.15000  1.0 3.0
   50    52    53    61   0.07850  1.0 1.0
   50    52    53    61  -0.03950 -1.0 2.0
   50    52    53    61   0.67350  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   50    52    57    60   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50   -52    56   0.23400  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50   -56    52   0.36800  1.0 3.0
   52    53    61    62   0.15000  1.0 3.0
   52    53    61    63   0.15000  1.0 3.0
   52    53    61    64   0.47050  1.0 1.0
   52    53    61    64   0.03900 -1.0 2.0
   52    53    61    64   0.20100  1.0 3.0
   53    52   -56    50   0.06250  1.0 1.0
   53    52   -56    50  -0.01100 -1.0 2.0
   53    52   -56    50   0.28050  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   53    61    64    65   0.15000  1.0 3.0
   53    61    64    66   0.34400  1.0 1.0
   53    61    64    66   0.09450 -1.0 2.0
   53    61    64    66   0.11100  1.0 3.0
   53    61    64    73   0.56750  1.0 1.0
   53    61    64    73  -0.07550 -1.0 2.0
   53    61    64    73   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    64   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    64   0.15000  1.0 3.0
   61    64    66    67   0.09700  1.0 1.0
   61    64    66    67   0.15600 -1.0 2.0
   61    64    66    67  -0.50800  1.0 3.0
   61    64    66    69   0.09850  1.0 1.0
   61    64    66    69   0.15250 -1.0 2.0
   61    64    66    69  -0.50650  1.0 3.0
   61    64    73    72   0.62750  1.0 1.0
   61    64    73    72  -0.30950 -1.0 2.0
   61    64    73    72   0.27300  1.0 3.0
   61    64    73    74   0.15000  1.0 3.0
   61    64    73    40   0.56750  1.0 1.0
   61    64    73    40  -0.07550 -1.0 2.0
   61    64    73    40   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    73   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    73   0.15000  1.0 3.0
   64    66    67    68  -0.64400  1.0 1.0
   64    66    67    68   0.26850 -1.0 2.0
   64    66   -67    72  -0.15000  1.0 1.0
   64    66   -67    72   0.89550 -1.0 2.0
   64    66   -67    72  -0.06900  1.0 3.0
   64    66    69    70   7.00000 -1.0 2.0
   64    66    69    71   7.00000 -1.0 2.0
   64    73    40    33   0.56750  1.0 1.0
   64    73    40    33  -0.07550 -1.0 2.0
   64    73    40    33   0.20000  1.0 3.0
   64    73    40    41   0.62750  1.0 1.0
   64    73    40    41  -0.30950 -1.0 2.0
   64    73    40    41   0.27300  1.0 3.0
   64    73    40    42   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   65    64    73    72   0.23400  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    40   0.15000  1.0 3.0
   66    64   -73    72   0.61850  1.0 1.0
   66    64   -73    72  -0.22750 -1.0 2.0
   66    64   -73    72   0.15300  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    40   0.34400  1.0 1.0
   66    64    73    40   0.09450 -1.0 2.0
   66    64    73    40   0.11100  1.0 3.0
   66    67   -72    73   2.00000 -1.0 2.0
   67    66    69    70   7.00000 -1.0 2.0
   67    66    69    71   7.00000 -1.0 2.0
   67    72   -73    64  -0.25900  1.0 1.0
   67    72   -73    64  -0.47000 -1.0 2.0
   67    72   -73    64   0.11750  1.0 3.0
   67    72    73    74   0.08050  1.0 3.0
   67    72    73    40  -0.25900  1.0 1.0
   67    72    73    40  -0.47000 -1.0 2.0
   67    72    73    40   0.11750  1.0 3.0
   68    67    72    73   3.00000 -1.0 2.0
   72    73    40    33   0.62750  1.0 1.0
   72    73    40    33  -0.30950 -1.0 2.0
   72    73    40    33   0.27300  1.0 3.0
   72    73    40    41   1.11900  1.0 1.0
   72    73    40    41  -1.16350 -1.0 2.0
   72    73    40    41  -0.34150  1.0 3.0
   72    73    40    42   0.23400  1.0 3.0
   73    64   -66    67   0.09700  1.0 1.0
   73    64   -66    67   0.15600 -1.0 2.0
   73    64   -66    67  -0.50800  1.0 3.0
   73    64    66    69   0.09850  1.0 1.0
   73    64    66    69   0.15250 -1.0 2.0
   73    64    66    69  -0.50650  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.23400  1.0 3.0
   74    73    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   69    66    67    68   1.00000 -1.0 2.0
   69    66    67    72  -0.56150  1.0 1.0
   69    66    67    72   2.19150 -1.0 2.0
   56    50   -52    53   0.02550  1.0 1.0
   56    50   -52    53  -0.02600 -1.0 2.0
   56    50   -52    53   1.20400  1.0 3.0
   56    50   -52    57   0.02550  1.0 1.0
   56    50   -52    57  -0.02600 -1.0 2.0
   56    50   -52    57   1.20400  1.0 3.0
   56    52    53    54   0.23400  1.0 3.0
   56    52    53    55   0.23400  1.0 3.0
   56    52    53    61   0.02550  1.0 1.0
   56    52    53    61  -0.02600 -1.0 2.0
   56    52    53    61   1.20400  1.0 3.0
   56    52    57    58   0.23400  1.0 3.0
   56    52    57    59   0.23400  1.0 3.0
   56    52    57    60   0.23400  1.0 3.0
   57    52    53    54   0.15000  1.0 3.0
   57    52    53    55   0.15000  1.0 3.0
   57    52    53    61   0.56750  1.0 1.0
   57    52    53    61  -0.07550 -1.0 2.0
   57    52    53    61   0.20000  1.0 3.0
   57    52   -56    50   0.06250  1.0 1.0
   57    52   -56    50  -0.01100 -1.0 2.0
   57    52   -56    50   0.28050  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    73   0.56750  1.0 1.0
   43    33    40    73  -0.07550 -1.0 2.0
   43    33    40    73   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  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
   64    67    66    69   1.10000 -1.0 2.0
   66    72    67    68  10.50000 -1.0 2.0
   70    71    69    66   1.10000 -1.0 2.0
END
