* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    222     424
    1     0 S   NP   _N1_     1    28.00382    96.49258   -24.02494
    2     1 S   H    _HN1     2     1.02776   107.61404  -109.28516
    3     1 S   H    _H1_     3     1.02957    79.05390    -3.33396
    4     1 S   H    _H2_     4     1.02835    30.03718   155.26824
    5     1 S   CT   _CA1     5     1.50128   132.63862   104.37954
    6     5 S   HC   _HA1     6     1.09574   105.21838    83.71480
    7     5 S   CO3  _C1_     7     1.53789   112.36709   -36.48352
    8     7 S   O2Z  _O11     8     1.26366   114.99705   -43.81094
    9     7 S   O2Z  _O12     9     1.26236   114.93380   135.30152
   10     5 S   CT   _CB1    10     1.53097   107.42352  -158.36790
   11    10 S   HC   HB11    11     1.09826   109.34277   -50.47916
   12    10 S   HC   HB12    12     1.09816   110.42268    66.08169
   13    10 S   CT   _CG1    13     1.53014   112.66382  -171.54906
   14    13 S   HC   HG11    14     1.09595   110.48587   -64.21385
   15    13 S   HC   HG12    15     1.09656   109.92326    54.98368
   16    13 S   C    _CD1    16     1.51840   112.32809   175.36185
   17    16 S   O    _OE1    17     1.22746   123.29042     0.06853
   18    16 S   N    _N2_    18     1.38555   111.68912  -179.94405
   19    18 S   H    _HN2    19     1.01556   119.02420     4.62216
   20    18 S   CT1  _CA2    20     1.45874   122.92243   178.06629
   21    20 S   HC   _HA2    21     1.09711   108.96787    23.71639
   22    20 S   C    _C2_    22     1.52864   106.70206   -93.56196
   23    22 S   O    _O2_    23     1.23007   122.89440   -30.35433
   24    20 S   CT   _CB2    32     1.53173   112.16852   146.93653
   25    24 S   HC   HB21    33     1.09597   110.10185    55.02338
   26    24 S   HC   HB22    34     1.09481   110.04119   174.01057
   27    22 S   N    _N3_    24     1.38466   112.73007   152.35688
   28    27 S   H    _HN3    25     1.01663   120.42101    -1.52007
   29    24 S   S    _SG2    35     1.82612   111.06638   -65.86719
   30    27 S   CT   _CA3    26     1.45365   122.34769   178.74524
   31    30 S   HC   HA31    27     1.09569   107.54382   -61.44618
   32    30 S   HC   HA32    28     1.09570   107.84000    54.83705
   33    29 S   CT   _C12    36     1.84160    99.97856   165.08370
   34    33 S   HC   _H6_    37     1.09710   105.37433   -54.71728
   35    30 S   CO3  _C3_    29     1.52867   114.46592   176.77930
   36    35 S   O2Z  _O31    30     1.26312   116.10943    -1.50454
   37    35 S   O2Z  _O32    31     1.26455   114.38228   178.55680
   38    33 S   CT   _C13    38     1.53336   108.70950  -168.94723
   39    38 S   HC   _H16    39     1.09689   108.24508    57.70402
   40    38 S   HC   _H17    40     1.09452   110.76862   -58.51179
   41    33 S   CT   _C11    56     1.53261   113.39806    63.75178
   42    41 S   HC   _H5_    57     1.09959   107.42452   -66.26727
   43    38 S   CT   _C14    41     1.54314   112.39861   178.15178
   44    43 S   HC   _H7_    42     1.09995   106.54278   -63.00551
   45    41 S   CO3  _C18    58     1.54896   118.65038    52.50071
   46    45 S   O2Z  _O34    59     1.26066   116.77894    33.77376
   47    45 S   O2Z  _O33    60     1.26611   114.23893  -146.59610
   48    43 S   CT   _C7_    43     1.56038   110.80222    53.42640
   49    48 S   HC   _H3_    44     1.09708   108.54382    66.68245
   50    43 S   CT   _C15    65     1.56603   112.24240  -178.16314
   51    50 S   HC   _H18    66     1.09704   107.82444   175.20609
   52    48 S   CM   _C6_    45     1.51481   111.31600  -175.98697
   53    52 S   HC   _H11    46     1.08752   116.38294   -74.97273
   54    50 S   CT   _C16    67     1.53151   114.26809   -65.75679
   55    54 S   HC   _H19    68     1.09403   111.92841    63.00525
   56    54 S   HC   _H20    69     1.09335   111.71288   -58.70547
   57    54 S   HC   _H21    70     1.09591   110.31176  -177.55064
   58    50 S   CT   _C17    71     1.53434   112.14640    59.47108
   59    58 S   HC   _H22    72     1.09443   112.01860   -71.59205
   60    58 S   HC   _H23    73     1.09577   110.33425   168.98145
   61    58 S   HC   _H24    74     1.09486   110.97688    49.85709
   62    52 S   CM   _C5_    47     1.34432   124.47053   106.23224
   63    62 S   CT   _C10    48     1.50636   122.27321    -0.43701
   64    63 S   HC   _H14    49     1.09745   108.14151   112.13454
   65    63 S   HC   _H15    50     1.09655   109.94862  -131.45776
   66    62 S   CT   _C4_    61     1.50074   121.79732   178.75149
   67    66 S   HC   _H8_    62     1.09479   110.27558   119.90770
   68    66 S   HC   _H9_    63     1.09506   112.20311    -0.15949
   69    66 S   HC   _H10    64     1.09481   110.26469  -120.23951
   70    63 S   CT   _C9_    51     1.53116   114.14635    -9.18988
   71    70 S   HC   _H12    52     1.09680   108.71456   161.09879
   72    70 S   HC   _H13    53     1.09610   109.19408   -83.27813
   73    48 S   CT   _C8_    54     1.55412   113.15016   -51.33555
   74    73 S   HC   _H4_    55     1.10139   107.21912   168.89532
  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
  16   8   2   1   1  15   6   5  14   7  19   8   6   2   1  15
   7  11   8  12   4   7   3   2   1   3   2   1   1  11  11   6
   5   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    73    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    70    73    74    41    42    45    46    47    50  
   38    39    40    43    73    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    52    73    41    42    45    50    51    54    58  
   40    43    44    48    41    50  
   43    44    48    41    50  
   42    45    46    47    43    48    49    52    63    70    71    72    73    74  
   45    46    47    48    70    73    74  
   44    48    49    52    53    62    70    73    74    50    51    54    55    56    57    58    59    60    61  
   48    49    52    73    50    51    54    58  
   46    47    48    70    73    74  
   47    73  
   73  
   49    52    53    62    63    70    71    72    73    74    66    50    51    54    58  
   52    53    62    70    73    74    50  
   51    54    55    56    57    58    59    60    61    52    73  
   54    55    56    57    58    59    60    61  
   53    62    63    64    65    70    73    74    66    67    68    69  
   62    63    73    66  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    70    71    72    73    66    67    68    69  
   64    65    70    71    72    73    74    66    67    68    69  
   65    70    71    72    73    66  
   70    71    72    73    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73    74  
   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   0.107500   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   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    48   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    52   317.000  1.510
   48    73   268.000  1.529
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   317.000  1.510
   62    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    41   268.000  1.529
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    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    73    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    70.00000  109.69300
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    48    58.35000  112.70000
   38    43    50    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    48    49    37.50000  110.70000
   43    48    52    70.00000  112.02700
   43    48    73    58.35000  112.70000
   43    50    51    37.50000  110.70000
   43    50    54    58.35000  112.70000
   43    50    58    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    62    70.00000  124.00000
   48    73    70    58.35000  112.70000
   48    73    74    37.50000  110.70000
   48    73    41    58.35000  112.70000
   52    48    49    35.00000  109.50000
   52    62    63    70.00000  124.00000
   52    62    66    70.00000  124.00000
   62    52    53    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    70    70.00000  112.02700
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    41    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    48    49    37.50000  110.70000
   73    48    52    70.00000  112.02700
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    41    42    37.50000  110.70000
   73    41    45    70.00000  109.69300
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    73    74    37.50000  110.70000
   41    45    46    70.00000  117.00000
   41    45    47    70.00000  117.00000
   45    41    42    35.00000  109.50000
   47    45    46    80.00000  126.00000
   66    62    63    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    48    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   54    50    51    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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    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    73   0.44750  1.0 1.0
   29    33    41    73  -0.17800 -1.0 2.0
   29    33    41    73   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    48   0.56750  1.0 1.0
   33    38    43    48  -0.07550 -1.0 2.0
   33    38    43    48   0.20000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    41    45    46   0.41150 -1.0 2.0
   33    41    45    47   0.41150 -1.0 2.0
   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    73   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    73   0.56750  1.0 1.0
   38    33    41    73  -0.07550 -1.0 2.0
   38    33    41    73   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -1.63150  1.0 1.0
   38    33    41    45  -0.43550 -1.0 2.0
   38    33    41    45   0.24500  1.0 3.0
   38    43    48    49   0.15000  1.0 3.0
   38    43    48    52   0.34400  1.0 1.0
   38    43    48    52   0.09450 -1.0 2.0
   38    43    48    52   0.11100  1.0 3.0
   38    43   -48    73   0.56750  1.0 1.0
   38    43   -48    73  -0.07550 -1.0 2.0
   38    43   -48    73   0.20000  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    54   0.56750  1.0 1.0
   38    43    50    54  -0.07550 -1.0 2.0
   38    43    50    54   0.20000  1.0 3.0
   38    43    50    58   0.56750  1.0 1.0
   38    43    50    58  -0.07550 -1.0 2.0
   38    43    50    58   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    62   0.09850  1.0 1.0
   43    48    52    62   0.15250 -1.0 2.0
   43    48    52    62  -0.50650  1.0 3.0
   43    48    73    70   0.56750  1.0 1.0
   43    48    73    70  -0.07550 -1.0 2.0
   43    48    73    70   0.20000  1.0 3.0
   43    48    73    74   0.15000  1.0 3.0
   43    48    73    41   0.56750  1.0 1.0
   43    48    73    41  -0.07550 -1.0 2.0
   43    48    73    41   0.20000  1.0 3.0
   43    50    54    55   0.15000  1.0 3.0
   43    50    54    56   0.15000  1.0 3.0
   43    50    54    57   0.15000  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    60   0.15000  1.0 3.0
   43    50    58    61   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   44    43    48    73   0.15000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   44    43    50    58   0.15000  1.0 3.0
   48    43    50    51   0.15000  1.0 3.0
   48    43    50    54   0.56750  1.0 1.0
   48    43    50    54  -0.07550 -1.0 2.0
   48    43    50    54   0.20000  1.0 3.0
   48    43    50    58   0.56750  1.0 1.0
   48    43    50    58  -0.07550 -1.0 2.0
   48    43    50    58   0.20000  1.0 3.0
   48    52    62    63   7.00000 -1.0 2.0
   48    52    62    66   7.00000 -1.0 2.0
   48    73   -41    33   0.56750  1.0 1.0
   48    73   -41    33  -0.07550 -1.0 2.0
   48    73   -41    33   0.20000  1.0 3.0
   48    73    41    42   0.15000  1.0 3.0
   48    73    41    45  -1.63150  1.0 1.0
   48    73    41    45  -0.43550 -1.0 2.0
   48    73    41    45   0.24500  1.0 3.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    62   0.00000  1.0 1.0
   49    48    73    70   0.15000  1.0 3.0
   49    48    73    74   0.15000  1.0 3.0
   49    48    73    41   0.15000  1.0 3.0
   52    48    73    70   0.34400  1.0 1.0
   52    48    73    70   0.09450 -1.0 2.0
   52    48    73    70   0.11100  1.0 3.0
   52    48    73    74   0.15000  1.0 3.0
   52    48    73    41   0.34400  1.0 1.0
   52    48    73    41   0.09450 -1.0 2.0
   52    48    73    41   0.11100  1.0 3.0
   52    62    63    64   0.00000  1.0 1.0
   52    62    63    65   0.00000  1.0 1.0
   52    62   -63    70   0.09850  1.0 1.0
   52    62   -63    70   0.15250 -1.0 2.0
   52    62   -63    70  -0.50650  1.0 3.0
   52    62    66    67   0.00000  1.0 1.0
   52    62    66    68   0.00000  1.0 1.0
   52    62    66    69   0.00000  1.0 1.0
   53    52    62    63   7.00000 -1.0 2.0
   53    52    62    66   7.00000 -1.0 2.0
   62    63    70    71   0.15000  1.0 3.0
   62    63    70    72   0.15000  1.0 3.0
   62    63    70    73   0.34400  1.0 1.0
   62    63    70    73   0.09450 -1.0 2.0
   62    63    70    73   0.11100  1.0 3.0
   63    62    66    67   0.34800  1.0 3.0
   63    62    66    68   0.34800  1.0 3.0
   63    62    66    69   0.34800  1.0 3.0
   63    70   -73    48   0.56750  1.0 1.0
   63    70   -73    48  -0.07550 -1.0 2.0
   63    70   -73    48   0.20000  1.0 3.0
   63    70    73    74   0.15000  1.0 3.0
   63    70    73    41   0.56750  1.0 1.0
   63    70    73    41  -0.07550 -1.0 2.0
   63    70    73    41   0.20000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   70    73    41    33   0.56750  1.0 1.0
   70    73    41    33  -0.07550 -1.0 2.0
   70    73    41    33   0.20000  1.0 3.0
   70    73    41    42   0.15000  1.0 3.0
   70    73    41    45  -1.63150  1.0 1.0
   70    73    41    45  -0.43550 -1.0 2.0
   70    73    41    45   0.24500  1.0 3.0
   71    70    73    48   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    41   0.15000  1.0 3.0
   72    70    73    48   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    41   0.15000  1.0 3.0
   73    48    52    53   0.00000  1.0 1.0
   73    48   -52    62   0.09850  1.0 1.0
   73    48   -52    62   0.15250 -1.0 2.0
   73    48   -52    62  -0.50650  1.0 3.0
   73    41    45    46   0.41150 -1.0 2.0
   73    41    45    47   0.41150 -1.0 2.0
   74    73    41    33   0.15000  1.0 3.0
   74    73    41    42   0.15000  1.0 3.0
   74    73    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
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   66    62    63    64   0.34800  1.0 3.0
   66    62    63    65   0.34800  1.0 3.0
   66    62    63    70   0.46850  1.0 1.0
   66    62    63    70   0.08550 -1.0 2.0
   66    62    63    70   0.09800  1.0 3.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    52   0.34400  1.0 1.0
   50    43    48    52   0.09450 -1.0 2.0
   50    43    48    52   0.11100  1.0 3.0
   50    43    48    73   0.56750  1.0 1.0
   50    43    48    73  -0.07550 -1.0 2.0
   50    43    48    73   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   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
   36    30    35    37  10.50000 -1.0 2.0
   48    53    52    62   1.10000 -1.0 2.0
   63    66    62    52   1.10000 -1.0 2.0
   46    41    45    47  10.50000 -1.0 2.0
END
