* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     425
    1     0 S   NP   _N1_     1    28.66994    96.31617   -23.27451
    2     1 S   H    _HN1     2     1.02789   105.92105   -99.92839
    3     1 S   H    _H1_     3     1.02948    73.82564     5.05455
    4     1 S   H    _H2_     4     1.02827    36.13094   161.38430
    5     1 S   CT   _CA1     5     1.50120   137.15737   107.82803
    6     5 S   HC   _HA1     6     1.09573   105.17336    89.74702
    7     5 S   CO3  _C1_     7     1.53777   112.48284   -30.47052
    8     7 S   O2Z  _O11     8     1.26375   115.00129   -41.98949
    9     7 S   O2Z  _O12     9     1.26238   114.94850   137.08016
   10     5 S   CT   _CB1    10     1.53068   107.41268  -152.26452
   11    10 S   HC   HB11    11     1.09838   109.34848   -49.42434
   12    10 S   HC   HB12    12     1.09811   110.46104    67.17899
   13    10 S   CT   _CG1    13     1.53005   112.62701  -170.37412
   14    13 S   HC   HG11    14     1.09573   110.69545   -66.75010
   15    13 S   HC   HG12    15     1.09671   109.72714    52.49306
   16    13 S   C    _CD1    16     1.51804   112.09853   172.96781
   17    16 S   O    _OE1    17     1.22744   123.24006    10.36855
   18    16 S   N    _N2_    18     1.38659   111.76980  -169.71815
   19    18 S   H    _HN2    19     1.01578   118.95009     1.40862
   20    18 S   CT1  _CA2    20     1.46179   123.34745   176.77026
   21    20 S   HC   _HA2    21     1.09739   109.33052     5.68562
   22    20 S   C    _C2_    22     1.53625   108.76949  -109.80994
   23    22 S   O    _O2_    23     1.23077   122.21312  -148.37389
   24    20 S   CT   _CB2    32     1.53393   111.70545   127.68473
   25    24 S   HC   HB21    33     1.09529   109.82488    56.33412
   26    24 S   HC   HB22    34     1.09384   109.83886   175.03991
   27    22 S   N    _N3_    24     1.38298   113.81916    39.08022
   28    27 S   H    _HN3    25     1.01562   119.63368    -3.20369
   29    24 S   S    _SG2    35     1.82894   111.41720   -64.26096
   30    27 S   CT   _CA3    26     1.45287   123.25938   177.20250
   31    30 S   HC   HA31    27     1.09548   107.50569   -64.89737
   32    30 S   HC   HA32    28     1.09556   108.00010    51.55635
   33    29 S   CT   _C17    36     1.86600   100.88069  -168.10441
   34    30 S   CO3  _C3_    29     1.52974   114.05018   173.56169
   35    34 S   O2Z  _O31    30     1.26382   116.07321    -0.48578
   36    34 S   O2Z  _O32    31     1.26428   114.41212   179.57342
   37    33 S   CO4  _C16    37     1.51915   105.32167  -174.01978
   38    37 S   O    _O35    38     1.22219   126.55751    82.39457
   39    33 S   CT   _C18    69     1.53804   111.98881   -54.31536
   40    39 S   HC   _H19    70     1.09595   110.73111  -166.15923
   41    39 S   HC   _H20    71     1.09493   111.28841    73.32605
   42    37 S   OS   _O34    39     1.36387   110.19186   -96.63378
   43    39 S   OH   _O36    72     1.42497   112.05199   -47.26490
   44    43 S   HO   _H21    73     0.97239   107.22616  -178.01574
   45    42 S   CT   _C9_    40     1.43708   110.91255     1.49829
   46    45 S   HC   _H5_    41     1.09916   105.83985    92.56451
   47    33 S   CT   _C8_    42     1.55770   110.63760    77.02488
   48    47 S   HC   _H4_    43     1.09682   110.29398   -33.56321
   49    45 S   CT   _C10    60     1.54065   110.07609  -150.82025
   50    47 S   CT   _C7_    44     1.54773   114.77674  -153.15083
   51    50 S   HC   _H12    45     1.09519   108.77164    43.73788
   52    50 S   HC   _H13    46     1.09182   112.03640   -72.44269
   53    49 S   CT   _C15    61     1.54189   113.41228    27.69240
   54    53 S   HC   _H16    62     1.09011   112.90297    52.88894
   55    53 S   HC   _H17    63     1.09778   111.10255   -66.52946
   56    53 S   HC   _H18    64     1.09556   112.03113   175.55926
   57    50 S   CT   _C6_    47     1.53564   114.44790   159.18831
   58    57 S   HC   _H10    48     1.09838   108.09877  -163.57535
   59    57 S   HC   _H11    49     1.09873   107.98301   -50.41131
   60    57 S   CT   _C5_    50     1.53723   118.22114    72.72329
   61    60 S   HC   _H3_    51     1.10141   105.17158  -163.86874
   62    60 S   CT   _C11    52     1.53700   112.13166   -49.55101
   63    62 S   HC   _H6_    53     1.10297   105.39606   -53.39896
   64    60 S   CT   _C4_    65     1.52991   111.40551    83.93049
   65    64 S   HC   _H7_    66     1.09145   112.78357   -50.15935
   66    64 S   HC   _H8_    67     1.09395   111.81173  -173.52807
   67    64 S   HC   _H9_    68     1.09666   109.71254    67.96945
   68    62 S   CM   _C12    54     1.50619   115.23140  -167.10191
   69    68 S   HC   _H14    55     1.08227   122.90153    33.61691
   70    68 S   CM   _C13    56     1.33429   113.83214  -152.89315
   71    70 S   HC   _H15    57     1.07506   128.99641  -175.04674
   72    70 S   CO4  _C14    58     1.47337   105.18551     4.73814
   73    72 S   O    _O33    59     1.22208   122.54987  -169.52873
  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  12   5   4   3
  17   2   1   1  12   4   9   4   3   9   2   1  19   7  12   5
  17   9   5   4  10   4   3   2  11   5   4  11   7  11   5   4
   2   1   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    47    48    50    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    46    47    48    50    51    52    57    49    39    40    41    43    44  
   35    36  
   36  
    0  
   38    42    45    46    47    48    50    49    39    40    41    43  
   42    45    47    39  
   40    41    43    44    42    45    47    48    50  
   41    43    44    47  
   43    44    47  
   45    46    47    48    50    62    72    49    53  
   44    47  
    0  
   46    47    48    50    51    52    57    60    62    63    68    70    72    73    49    53    54    55    56  
   47    48    50    62    72    49    53  
   48    50    51    52    57    58    59    60    62    72    49    53  
   50    51    52    57    49  
   53    54    55    56    64    50    57    60    61    62    63    68    69    70    71    72    73  
   51    52    57    58    59    60    61    62    64  
   52    57    58    59    60  
   57    58    59    60  
   54    55    56    60    62    63    68    70    72    73  
   55    56    62    72  
   56    62    72  
   62    72  
   58    59    60    61    62    63    68    64    65    66    67  
   59    60    61    62    64  
   60    61    62    64  
   61    62    63    68    69    70    72    64    65    66    67  
   62    63    68    64    65    66    67  
   63    68    69    70    71    72    73    64    65    66    67  
   68    69    70    72    64  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72  
   71    72    73  
   72    73  
   73  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.522
   33    47   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    68   317.000  1.510
   62    49   268.000  1.529
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   340.000  1.080
   70    72   320.000  1.462
   72    73   570.000  1.229
   72    49   317.000  1.522
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
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  110.18000
   29    33    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    47    45    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    50    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    42    45    83.00000  116.90000
   42    37    38    83.00000  123.40000
   42    45    46    35.00000  109.50000
   42    45    47    50.00000  109.50000
   42    45    49    50.00000  109.50000
   45    47    48    37.50000  110.70000
   45    47    50    58.35000  112.70000
   45    49    62    58.35000  112.70000
   45    49    72    63.00000  111.10000
   45    49    53    58.35000  112.70000
   47    33    37    63.00000  111.10000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    57    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    64    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    68    70.00000  112.02700
   60    62    49    58.35000  112.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    68    69    35.00000  117.00000
   62    68    70    70.00000  124.00000
   62    49    72    63.00000  111.10000
   62    49    53    58.35000  112.70000
   68    62    63    35.00000  109.50000
   68    70    71    35.00000  120.00000
   68    70    72    65.00000  118.96000
   70    68    69    35.00000  120.00000
   70    72    73    80.00000  123.72100
   70    72    49    65.00000  118.62400
   72    70    71    40.00000  117.72500
   72    49    53    63.00000  111.10000
   49    45    46    37.50000  110.70000
   49    45    47    58.35000  112.70000
   49    62    63    37.50000  110.70000
   49    62    68    70.00000  112.02700
   49    72    73    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    47    58.35000  112.70000
   39    43    44    55.00000  108.50000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    47    45   0.44750  1.0 1.0
   29    33    47    45  -0.17800 -1.0 2.0
   29    33    47    45   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37   -42    45   1.63150  1.0 1.0
   33    37   -42    45   2.92000 -1.0 2.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    57   0.56750  1.0 1.0
   33    47    50    57  -0.07550 -1.0 2.0
   33    47    50    57   0.20000  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   37    33   -47    45  -0.95700  1.0 1.0
   37    33   -47    45  -0.18200 -1.0 2.0
   37    33   -47    45   0.29450  1.0 3.0
   37    33    47    48  -0.11250  1.0 3.0
   37    33    47    50  -0.95700  1.0 1.0
   37    33    47    50  -0.18200 -1.0 2.0
   37    33    47    50   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.09450  1.0 1.0
   37    33    39    43  -1.12950 -1.0 2.0
   37    33    39    43   0.54000  1.0 3.0
   37    42    45    46   0.08050  1.0 3.0
   37    42   -45    47  -0.25900  1.0 1.0
   37    42   -45    47  -0.47000 -1.0 2.0
   37    42   -45    47   0.11750  1.0 3.0
   37    42    45    49  -0.25900  1.0 1.0
   37    42    45    49  -0.47000 -1.0 2.0
   37    42    45    49   0.11750  1.0 3.0
   38    37    42    45   3.00000 -1.0 2.0
   42    45   -47    33   0.62750  1.0 1.0
   42    45   -47    33  -0.30950 -1.0 2.0
   42    45   -47    33   0.27300  1.0 3.0
   42    45    47    48   0.23400  1.0 3.0
   42    45    47    50   0.62750  1.0 1.0
   42    45    47    50  -0.30950 -1.0 2.0
   42    45    47    50   0.27300  1.0 3.0
   42    45    49    62   0.62750  1.0 1.0
   42    45    49    62  -0.30950 -1.0 2.0
   42    45    49    62   0.27300  1.0 3.0
   42    45    49    72  -0.09450  1.0 1.0
   42    45    49    72  -1.12950 -1.0 2.0
   42    45    49    72   0.54000  1.0 3.0
   42    45    49    53   0.62750  1.0 1.0
   42    45    49    53  -0.30950 -1.0 2.0
   42    45    49    53   0.27300  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   45    47    50    57   0.56750  1.0 1.0
   45    47    50    57  -0.07550 -1.0 2.0
   45    47    50    57   0.20000  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    56   0.15000  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    49    62   0.15000  1.0 3.0
   46    45    49    72  -0.11250  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   47    33    37    38   0.30150 -1.0 2.0
   47    33   -37    42   0.36750  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    33    39    41   0.15000  1.0 3.0
   47    33    39    43   0.86500  1.0 1.0
   47    33    39    43  -0.17500 -1.0 2.0
   47    33    39    43   0.20800  1.0 3.0
   47    45    49    62   0.56750  1.0 1.0
   47    45    49    62  -0.07550 -1.0 2.0
   47    45    49    62   0.20000  1.0 3.0
   47    45    49    72  -0.95700  1.0 1.0
   47    45    49    72  -0.18200 -1.0 2.0
   47    45    49    72   0.29450  1.0 3.0
   47    45    49    53   0.56750  1.0 1.0
   47    45    49    53  -0.07550 -1.0 2.0
   47    45    49    53   0.20000  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    60   0.56750  1.0 1.0
   47    50    57    60  -0.07550 -1.0 2.0
   47    50    57    60   0.20000  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    57   0.15000  1.0 3.0
   50    57    60    61   0.15000  1.0 3.0
   50    57    60    62   0.56750  1.0 1.0
   50    57    60    62  -0.07550 -1.0 2.0
   50    57    60    62   0.20000  1.0 3.0
   50    57    60    64   0.56750  1.0 1.0
   50    57    60    64  -0.07550 -1.0 2.0
   50    57    60    64   0.20000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    68   0.34400  1.0 1.0
   57    60    62    68   0.09450 -1.0 2.0
   57    60    62    68   0.11100  1.0 3.0
   57    60    62    49   0.56750  1.0 1.0
   57    60    62    49  -0.07550 -1.0 2.0
   57    60    62    49   0.20000  1.0 3.0
   57    60    64    65   0.15000  1.0 3.0
   57    60    64    66   0.15000  1.0 3.0
   57    60    64    67   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    64   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    64   0.15000  1.0 3.0
   60    62    68    69   0.00000  1.0 1.0
   60    62    68    70   0.09850  1.0 1.0
   60    62    68    70   0.15250 -1.0 2.0
   60    62    68    70  -0.50650  1.0 3.0
   60    62    49    45   0.56750  1.0 1.0
   60    62    49    45  -0.07550 -1.0 2.0
   60    62    49    45   0.20000  1.0 3.0
   60    62    49    72  -0.95700  1.0 1.0
   60    62    49    72  -0.18200 -1.0 2.0
   60    62    49    72   0.29450  1.0 3.0
   60    62    49    53   0.56750  1.0 1.0
   60    62    49    53  -0.07550 -1.0 2.0
   60    62    49    53   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    68   0.15000  1.0 3.0
   61    60    62    49   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   62    68    70    71   7.00000 -1.0 2.0
   62    68   -70    72   7.00000 -1.0 2.0
   62    49    53    54   0.15000  1.0 3.0
   62    49    53    55   0.15000  1.0 3.0
   62    49    53    56   0.15000  1.0 3.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    70   0.00000  1.0 1.0
   63    62    49    45   0.15000  1.0 3.0
   63    62    49    72  -0.11250  1.0 3.0
   63    62    49    53   0.15000  1.0 3.0
   68    62    49    45   0.34400  1.0 1.0
   68    62    49    45   0.09450 -1.0 2.0
   68    62    49    45   0.11100  1.0 3.0
   68    62   -49    72  -0.98800  1.0 1.0
   68    62   -49    72   0.48800 -1.0 2.0
   68    62   -49    72   0.76800  1.0 3.0
   68    62    49    53   0.34400  1.0 1.0
   68    62    49    53   0.09450 -1.0 2.0
   68    62    49    53   0.11100  1.0 3.0
   68    70    72    73   1.00000 -1.0 2.0
   68    70   -72    49  -0.33500  1.0 1.0
   68    70   -72    49   1.06600 -1.0 2.0
   68    70   -72    49  -0.14000  1.0 3.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    72   7.00000 -1.0 2.0
   70    72    49    45   0.65300  1.0 1.0
   70    72    49    45  -0.03850 -1.0 2.0
   70    72    49    45   0.33900  1.0 3.0
   70    72   -49    62   0.65300  1.0 1.0
   70    72   -49    62  -0.03850 -1.0 2.0
   70    72   -49    62   0.33900  1.0 3.0
   70    72    49    53   0.65300  1.0 1.0
   70    72    49    53  -0.03850 -1.0 2.0
   70    72    49    53   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    49   0.04550  1.0 1.0
   71    70    72    49   0.83000 -1.0 2.0
   71    70    72    49  -0.04000  1.0 3.0
   72    49    53    54  -0.11250  1.0 3.0
   72    49    53    55  -0.11250  1.0 3.0
   72    49    53    56  -0.11250  1.0 3.0
   73    72    49    45   0.30150 -1.0 2.0
   73    72    49    62   0.30150 -1.0 2.0
   73    72    49    53   0.30150 -1.0 2.0
   49    45    47    33   0.56750  1.0 1.0
   49    45    47    33  -0.07550 -1.0 2.0
   49    45    47    33   0.20000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    50   0.56750  1.0 1.0
   49    45    47    50  -0.07550 -1.0 2.0
   49    45    47    50   0.20000  1.0 3.0
   49    62    68    69   0.00000  1.0 1.0
   49    62   -68    70   0.09850  1.0 1.0
   49    62   -68    70   0.15250 -1.0 2.0
   49    62   -68    70  -0.50650  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    68   0.34400  1.0 1.0
   64    60    62    68   0.09450 -1.0 2.0
   64    60    62    68   0.11100  1.0 3.0
   64    60    62    49   0.56750  1.0 1.0
   64    60    62    49  -0.07550 -1.0 2.0
   64    60    62    49   0.20000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    47    45   0.56750  1.0 1.0
   39    33    47    45  -0.07550 -1.0 2.0
   39    33    47    45   0.20000  1.0 3.0
   39    33    47    48   0.15000  1.0 3.0
   39    33    47    50   0.56750  1.0 1.0
   39    33    47    50  -0.07550 -1.0 2.0
   39    33    47    50   0.20000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44   0.19450  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
   33    42    37    38  10.50000 -1.0 2.0
   62    69    68    70   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    49    72    73  10.50000 -1.0 2.0
END
