* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    240     432
    1     0 S   NP   _N1_     1    29.03699    94.63647   -19.26756
    2     1 S   H    _HN1     2     1.02772    75.29395   -79.49485
    3     1 S   H    _H1_     3     1.02965    98.01422    27.47200
    4     1 S   H    _H2_     4     1.02830    39.09989   134.62097
    5     1 S   CT   _CA1     5     1.50142   145.27733   172.46777
    6     5 S   HC   _HA1     6     1.09564   105.25782    34.70738
    7     5 S   CO3  _C1_     7     1.53940   112.39326   -85.54214
    8     7 S   O2Z  _O11     8     1.26367   115.04055   -39.80020
    9     7 S   O2Z  _O12     9     1.26261   115.00185   139.33232
   10     5 S   CT   _CB1    10     1.53096   107.38843   152.77919
   11    10 S   HC   HB11    11     1.09817   109.68492   -48.59631
   12    10 S   HC   HB12    12     1.09797   110.16211    67.94616
   13    10 S   CT   _CG1    13     1.52968   112.63066  -169.63158
   14    13 S   HC   HG11    14     1.09540   110.32556   -56.95524
   15    13 S   HC   HG12    15     1.09613   110.19151    62.13964
   16    13 S   C    _CD1    16     1.51786   112.23980  -177.40301
   17    16 S   O    _OE1    17     1.22712   123.27391   -13.56690
   18    16 S   N    _N2_    18     1.38531   111.51229   166.70874
   19    18 S   H    _HN2    19     1.01588   118.96892     1.58942
   20    18 S   CT1  _CA2    20     1.46170   123.69219  -174.04685
   21    20 S   HC   _HA2    21     1.09723   109.47943   -13.77249
   22    20 S   C    _C2_    22     1.53347   108.43738  -129.79792
   23    22 S   O    _O2_    23     1.23018   122.24364  -145.89611
   24    20 S   CT   _CB2    32     1.53739   110.76482   108.28086
   25    24 S   HC   HB21    33     1.08847   108.87844    56.84926
   26    24 S   HC   HB22    34     1.09511   110.29836   174.38382
   27    22 S   N    _N3_    24     1.38514   113.35338    41.54048
   28    27 S   H    _HN3    25     1.01534   118.87007    -0.73807
   29    24 S   S    _SG2    35     1.82367   111.05409   -67.27356
   30    27 S   CT   _CA3    26     1.45443   123.42952   175.20960
   31    30 S   HC   HA31    27     1.09526   109.20125    24.99955
   32    30 S   HC   HA32    28     1.09496   107.12809   141.97017
   33    29 S   CT   _C11    36     1.89880   105.44710   136.80789
   34    30 S   CO3  _C3_    29     1.52923   113.14799   -98.47252
   35    34 S   O2Z  _O31    30     1.26401   115.41161   -45.15644
   36    34 S   O2Z  _O32    31     1.26360   114.99142   135.81245
   37    33 S   CT   _C10    37     1.61069   108.33120  -174.14050
   38    37 S   HC   _H5_    38     1.09962   108.80829  -170.10123
   39    33 S   CT   _C5_    56     1.57994   112.51471    64.01859
   40    37 S   CT   _C9_    39     1.52766   116.66277   -50.01124
   41    40 S   HC   _H4_    40     1.09696   111.07725    63.31564
   42    39 S   CT   _C4_    57     1.54303   114.37546   -84.17759
   43    42 S   HC   _H8_    58     1.09383   112.02870   -52.30034
   44    42 S   HC   _H9_    59     1.09789   110.41247  -169.20776
   45    42 S   HC   _H10    60     1.09008   113.05005    71.64904
   46    39 S   OH   _O37    61     1.44384   107.72301   161.18242
   47    46 S   HO   _H21    62     0.97256   108.76157  -179.68596
   48    37 S   C3T  _C14    63     1.52295   105.72534    80.70794
   49    40 S   CT   _C8_    41     1.52980   112.83785   -64.55403
   50    49 S   HC   _H3_    42     1.09801   110.85771   -46.16204
   51    48 S   C3T  _C13    64     1.49012   106.69280    24.61942
   52    51 S   HC   _H7_    65     1.07778   121.69043   138.44482
   53    48 S   CT   _C15    71     1.48752   122.03568   167.86068
   54    53 S   HC   _H15    72     1.09555   111.66366  -162.63470
   55    53 S   HC   _H16    73     1.09397   110.69499    77.99254
   56    53 S   HC   _H17    74     1.09447   110.86498   -42.63792
   57    49 S   CM   _C17    43     1.49638    98.37594  -156.75965
   58    49 S   CT   _C7_    50     1.52219   114.08374    78.36991
   59    58 S   HC   _H13    51     1.09762   109.82910   157.85095
   60    58 S   HC   _H14    52     1.09692   109.63823    43.65231
   61    33 S   CT   _C12    66     1.57915   112.26832   -67.12275
   62    61 S   HC   _H6_    67     1.09733   109.08199   165.86843
   63    48 S   O3T  _O33    70     1.43112   118.16153   -38.21978
   64    57 S   CO4  _C16    44     1.47982   107.34844    30.58408
   65    64 S   O    _O36    45     1.21684   127.41753   165.86929
   66    57 S   CM   _C18    47     1.33557   131.38719  -148.10735
   67    66 S   HC   _H19    48     1.08387   121.62836    -1.09253
   68    66 S   HC   _H20    49     1.08559   121.47473   179.21292
   69    58 S   CT   _C6_    53     1.53873   116.64457   -81.53292
   70    69 S   HC   _H11    54     1.09839   106.71838   156.21499
   71    69 S   HC   _H12    55     1.09998   106.08832   -92.30287
   72    61 S   OH   _O34    68     1.41299   115.78010    44.81775
   73    72 S   HO   _H18    69     0.97281   107.57268  -177.86055
   74    40 S   OS   _O35    46     1.44453   110.45748  -179.56299
  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
  26   2   1   1  24  10  19  17   7  10   4   3   2   6   1  12
  14   8  10   5   5   3   2   1  10   8   4   3   5   3   1   5
   2   3   1   1   2   1   1   1   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    39    61    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    69    39    42    46    48    51    61    62    72  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    49    74    58    69    70    71    39    42    43    44    45    46    47    48    51    52    61    62    72    73    63    53  
   35    36  
   36  
    0  
   38    40    41    49    50    57    64    74    58    69    39    42    46    48    51    52    61    62    72    63    53    54    55    56  
   40    41    49    74    39    48    51    61    63    53  
   42    43    44    45    46    47    48    51    61    62    72    40    49    58    59    60    69    70    71  
   41    49    50    57    64    65    74    66    58    59    60    69    48    51    61    63    53  
   49    50    57    64    74    58    48  
   43    44    45    46    47    61    58    69    70    71  
   44    45    46    69  
   45    46    69  
   46    69  
   47    61    58    69    70    71  
   69  
   51    52    61    62    72    63    53    54    55    56    49    74  
   50    57    64    65    74    66    67    68    58    59    60    69    70    71  
   57    64    74    66    58    59    60    69  
   52    61    62    72    73    63    53    54    55    56  
   61    62    72    63    53  
   54    55    56    61    63  
   55    56    63  
   56    63  
   63  
   64    65    74    66    67    68    58    59    60    69  
   59    60    69    70    71    64    66    74  
   60    69    70    71  
   69    70    71  
   62    72    73    63    69  
   72    73    63  
   72  
   65    74    66    67    68  
   74    66  
   67    68    74  
   68  
    0  
   70    71  
   71  
    0  
   73  
    0  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    39   268.000  1.529
   33    61   268.000  1.529
   37    38   340.000  1.090
   37    40   268.000  1.529
   37    48   275.000  1.510
   40    41   340.000  1.090
   40    49   268.000  1.529
   40    74   320.000  1.410
   49    50   340.000  1.090
   49    57   317.000  1.510
   49    58   268.000  1.529
   57    64   320.000  1.462
   57    66   549.000  1.340
   64    65   570.000  1.229
   64    74   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    39   268.000  1.529
   39    42   268.000  1.529
   39    46   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
   48    51   260.000  1.509
   48    63   335.000  1.432
   48    53   275.000  1.510
   51    52   340.000  1.088
   51    61   275.000  1.510
   51    63   335.000  1.432
   61    62   340.000  1.090
   61    72   320.000  1.410
   72    73   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    39    75.00000  111.63000
   29    33    61    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    58.35000  112.70000
   33    37    48    70.00000  112.37300
   33    39    69    58.35000  112.70000
   33    39    42    58.35000  112.70000
   33    39    46    50.00000  109.50000
   33    61    51    70.00000  112.37300
   33    61    62    37.50000  110.70000
   33    61    72    50.00000  109.50000
   37    40    41    37.50000  110.70000
   37    40    49    58.35000  112.70000
   37    40    74    50.00000  109.50000
   37    48    51    60.00000  120.94000
   37    48    63    80.00000  116.47100
   37    48    53    58.35000  112.70000
   40    37    38    37.50000  110.70000
   40    49    50    37.50000  110.70000
   40    49    57    70.00000  112.02700
   40    49    58    58.35000  112.70000
   40    74    64    83.00000  116.90000
   49    40    41    37.50000  110.70000
   49    57    64    65.00000  116.34900
   49    57    66    70.00000  124.00000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    69    58.35000  112.70000
   57    49    50    35.00000  109.50000
   57    64    65    80.00000  123.72100
   57    64    74    90.00000  111.29400
   57    66    67    35.00000  120.00000
   57    66    68    35.00000  120.00000
   74    40    41    35.00000  109.50000
   74    40    49    50.00000  109.50000
   74    64    65    83.00000  123.40000
   66    57    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   58    49    50    37.50000  110.70000
   58    49    57    70.00000  112.02700
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   58    69    39    58.35000  112.70000
   60    58    59    33.00000  107.80000
   69    58    59    37.50000  110.70000
   69    58    60    37.50000  110.70000
   69    39    42    58.35000  112.70000
   69    39    46    50.00000  109.50000
   71    69    70    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    69    70    37.50000  110.70000
   39    69    71    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    42    50.00000  109.50000
   48    37    38    45.00000  109.38400
   48    37    40    70.00000  112.37300
   48    51    52    37.50000  117.20000
   48    51    61    60.00000  120.94000
   48    51    63    15.00000   60.43100
   48    63    51    15.00000   59.14900
   48    53    54    45.00000  109.38400
   48    53    55    45.00000  109.38400
   48    53    56    45.00000  109.38400
   51    61    62    45.00000  109.38400
   51    61    72    50.00000  109.50000
   61    33    37    58.35000  112.70000
   61    33    39    58.35000  112.70000
   61    51    52    40.00000  115.04500
   61    72    73    55.00000  108.50000
   72    61    62    35.00000  109.50000
   63    48    51    15.00000   60.43100
   63    51    52    50.00000  114.27700
   63    51    61    80.00000  116.47100
   53    48    51    60.00000  120.94000
   53    48    63    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    48   0.44750  1.0 1.0
   29    33    37    48  -0.17800 -1.0 2.0
   29    33    37    48   0.20200  1.0 3.0
   29    33    39    69   0.44750  1.0 1.0
   29    33    39    69  -0.17800 -1.0 2.0
   29    33    39    69   0.20200  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   29    33    61    51   0.44750  1.0 1.0
   29    33    61    51  -0.17800 -1.0 2.0
   29    33    61    51   0.20200  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   29    33    61    72   0.56750  1.0 1.0
   29    33    61    72  -0.07550 -1.0 2.0
   29    33    61    72   0.20000  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    49   0.56750  1.0 1.0
   33    37    40    49  -0.07550 -1.0 2.0
   33    37    40    49   0.20000  1.0 3.0
   33    37    40    74   0.62750  1.0 1.0
   33    37    40    74  -0.30950 -1.0 2.0
   33    37    40    74   0.27300  1.0 3.0
   33    37   -48    51   0.07850  1.0 1.0
   33    37   -48    51  -0.03950 -1.0 2.0
   33    37   -48    51   0.67350  1.0 3.0
   33    37    48    63   0.02550  1.0 1.0
   33    37    48    63  -0.02600 -1.0 2.0
   33    37    48    63   1.20400  1.0 3.0
   33    37    48    53   0.56750  1.0 1.0
   33    37    48    53  -0.07550 -1.0 2.0
   33    37    48    53   0.20000  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   33    61    72    73  -0.11600  1.0 1.0
   33    61    72    73  -0.09450 -1.0 2.0
   33    61    72    73   0.21250  1.0 3.0
   37    33    39    69   0.56750  1.0 1.0
   37    33    39    69  -0.07550 -1.0 2.0
   37    33    39    69   0.20000  1.0 3.0
   37    33    39    42   0.56750  1.0 1.0
   37    33    39    42  -0.07550 -1.0 2.0
   37    33    39    42   0.20000  1.0 3.0
   37    33    39    46   0.86500  1.0 1.0
   37    33    39    46  -0.17500 -1.0 2.0
   37    33    39    46   0.20800  1.0 3.0
   37    33   -61    51   0.47050  1.0 1.0
   37    33   -61    51   0.03900 -1.0 2.0
   37    33   -61    51   0.20100  1.0 3.0
   37    33    61    62   0.15000  1.0 3.0
   37    33    61    72   0.86500  1.0 1.0
   37    33    61    72  -0.17500 -1.0 2.0
   37    33    61    72   0.20800  1.0 3.0
   37    40    49    50   0.15000  1.0 3.0
   37    40    49    57   0.34400  1.0 1.0
   37    40    49    57   0.09450 -1.0 2.0
   37    40    49    57   0.11100  1.0 3.0
   37    40    49    58   0.56750  1.0 1.0
   37    40    49    58  -0.07550 -1.0 2.0
   37    40    49    58   0.20000  1.0 3.0
   37    40    74    64  -0.25900  1.0 1.0
   37    40    74    64  -0.47000 -1.0 2.0
   37    40    74    64   0.11750  1.0 3.0
   37    48    51    52   0.15000  1.0 3.0
   37    48   -51    61   0.56750  1.0 1.0
   37    48   -51    61  -0.07550 -1.0 2.0
   37    48   -51    61   0.20000  1.0 3.0
   37    48   -51    63   0.02550  1.0 1.0
   37    48   -51    63  -0.02600 -1.0 2.0
   37    48   -51    63   1.20400  1.0 3.0
   37    48   -63    51   0.06250  1.0 1.0
   37    48   -63    51  -0.01100 -1.0 2.0
   37    48   -63    51   0.28050  1.0 3.0
   37    48    53    54   0.15000  1.0 3.0
   37    48    53    55   0.15000  1.0 3.0
   37    48    53    56   0.15000  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    49   0.15000  1.0 3.0
   38    37    40    74   0.23400  1.0 3.0
   38    37    48    51   0.15000  1.0 3.0
   38    37    48    63   0.23400  1.0 3.0
   38    37    48    53   0.15000  1.0 3.0
   40    37    48    51   0.07850  1.0 1.0
   40    37    48    51  -0.03950 -1.0 2.0
   40    37    48    51   0.67350  1.0 3.0
   40    37    48    63   0.02550  1.0 1.0
   40    37    48    63  -0.02600 -1.0 2.0
   40    37    48    63   1.20400  1.0 3.0
   40    37    48    53   0.56750  1.0 1.0
   40    37    48    53  -0.07550 -1.0 2.0
   40    37    48    53   0.20000  1.0 3.0
   40    49   -57    64   0.09700  1.0 1.0
   40    49   -57    64   0.15600 -1.0 2.0
   40    49   -57    64  -0.50800  1.0 3.0
   40    49    57    66   0.09850  1.0 1.0
   40    49    57    66   0.15250 -1.0 2.0
   40    49    57    66  -0.50650  1.0 3.0
   40    49    58    59   0.15000  1.0 3.0
   40    49    58    60   0.15000  1.0 3.0
   40    49    58    69   0.56750  1.0 1.0
   40    49    58    69  -0.07550 -1.0 2.0
   40    49    58    69   0.20000  1.0 3.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    57   0.15000  1.0 3.0
   41    40    49    58   0.15000  1.0 3.0
   41    40    74    64   0.08050  1.0 3.0
   49    40   -74    64  -0.25900  1.0 1.0
   49    40   -74    64  -0.47000 -1.0 2.0
   49    40   -74    64   0.11750  1.0 3.0
   49    57    64    65  -0.64400  1.0 1.0
   49    57    64    65   0.26850 -1.0 2.0
   49    57   -64    74  -0.15000  1.0 1.0
   49    57   -64    74   0.89550 -1.0 2.0
   49    57   -64    74  -0.06900  1.0 3.0
   49    57    66    67   7.00000 -1.0 2.0
   49    57    66    68   7.00000 -1.0 2.0
   49    58    69    70   0.15000  1.0 3.0
   49    58    69    71   0.15000  1.0 3.0
   49    58    69    39   0.56750  1.0 1.0
   49    58    69    39  -0.07550 -1.0 2.0
   49    58    69    39   0.20000  1.0 3.0
   50    49    57    64   0.15000  1.0 3.0
   50    49    57    66   0.00000  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    69   0.15000  1.0 3.0
   57    49    58    59   0.15000  1.0 3.0
   57    49    58    60   0.15000  1.0 3.0
   57    49    58    69   0.34400  1.0 1.0
   57    49    58    69   0.09450 -1.0 2.0
   57    49    58    69   0.11100  1.0 3.0
   57    64   -74    40   2.00000 -1.0 2.0
   64    57    66    67   7.00000 -1.0 2.0
   64    57    66    68   7.00000 -1.0 2.0
   65    64    74    40   3.00000 -1.0 2.0
   74    40    49    50   0.23400  1.0 3.0
   74    40   -49    57   0.61850  1.0 1.0
   74    40   -49    57  -0.22750 -1.0 2.0
   74    40   -49    57   0.15300  1.0 3.0
   74    40    49    58   0.62750  1.0 1.0
   74    40    49    58  -0.30950 -1.0 2.0
   74    40    49    58   0.27300  1.0 3.0
   66    57    64    65   1.00000 -1.0 2.0
   66    57    64    74  -0.56150  1.0 1.0
   66    57    64    74   2.19150 -1.0 2.0
   58    49    57    64   0.09700  1.0 1.0
   58    49    57    64   0.15600 -1.0 2.0
   58    49    57    64  -0.50800  1.0 3.0
   58    49    57    66   0.09850  1.0 1.0
   58    49    57    66   0.15250 -1.0 2.0
   58    49    57    66  -0.50650  1.0 3.0
   58    69    39    33   0.56750  1.0 1.0
   58    69    39    33  -0.07550 -1.0 2.0
   58    69    39    33   0.20000  1.0 3.0
   58    69    39    42   0.56750  1.0 1.0
   58    69    39    42  -0.07550 -1.0 2.0
   58    69    39    42   0.20000  1.0 3.0
   58    69    39    46   0.86500  1.0 1.0
   58    69    39    46  -0.17500 -1.0 2.0
   58    69    39    46   0.20800  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   59    58    69    39   0.15000  1.0 3.0
   60    58    69    70   0.15000  1.0 3.0
   60    58    69    71   0.15000  1.0 3.0
   60    58    69    39   0.15000  1.0 3.0
   69    39    42    43   0.15000  1.0 3.0
   69    39    42    44   0.15000  1.0 3.0
   69    39    42    45   0.15000  1.0 3.0
   69    39    46    47  -0.11600  1.0 1.0
   69    39    46    47  -0.09450 -1.0 2.0
   69    39    46    47   0.21250  1.0 3.0
   70    69    39    33   0.15000  1.0 3.0
   70    69    39    42   0.15000  1.0 3.0
   70    69    39    46   0.23400  1.0 3.0
   71    69    39    33   0.15000  1.0 3.0
   71    69    39    42   0.15000  1.0 3.0
   71    69    39    46   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    40   0.56750  1.0 1.0
   39    33    37    40  -0.07550 -1.0 2.0
   39    33    37    40   0.20000  1.0 3.0
   39    33    37    48   0.47050  1.0 1.0
   39    33    37    48   0.03900 -1.0 2.0
   39    33    37    48   0.20100  1.0 3.0
   39    33    61    51   0.47050  1.0 1.0
   39    33    61    51   0.03900 -1.0 2.0
   39    33    61    51   0.20100  1.0 3.0
   39    33    61    62   0.15000  1.0 3.0
   39    33    61    72   0.86500  1.0 1.0
   39    33    61    72  -0.17500 -1.0 2.0
   39    33    61    72   0.20800  1.0 3.0
   42    39    46    47  -0.11600  1.0 1.0
   42    39    46    47  -0.09450 -1.0 2.0
   42    39    46    47   0.21250  1.0 3.0
   46    39    42    43   0.23400  1.0 3.0
   46    39    42    44   0.23400  1.0 3.0
   46    39    42    45   0.23400  1.0 3.0
   48    37    40    41   0.15000  1.0 3.0
   48    37    40    49   0.47050  1.0 1.0
   48    37    40    49   0.03900 -1.0 2.0
   48    37    40    49   0.20100  1.0 3.0
   48    37    40    74  -0.26800  1.0 1.0
   48    37    40    74   0.69150 -1.0 2.0
   48    37    40    74  -0.48750  1.0 3.0
   48    51   -61    33   0.07850  1.0 1.0
   48    51   -61    33  -0.03950 -1.0 2.0
   48    51   -61    33   0.67350  1.0 3.0
   48    51    61    62   0.15000  1.0 3.0
   48    51    61    72   0.86500  1.0 1.0
   48    51    61    72  -0.17500 -1.0 2.0
   48    51    61    72   0.20800  1.0 3.0
   51    48    53    54   0.15000  1.0 3.0
   51    48    53    55   0.15000  1.0 3.0
   51    48    53    56   0.15000  1.0 3.0
   51    61    72    73  -0.11600  1.0 1.0
   51    61    72    73  -0.09450 -1.0 2.0
   51    61    72    73   0.21250  1.0 3.0
   52    51    61    33   0.15000  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    72   0.23400  1.0 3.0
   52    51   -63    48   0.36800  1.0 3.0
   61    33    37    38   0.15000  1.0 3.0
   61    33    37    40   0.56750  1.0 1.0
   61    33    37    40  -0.07550 -1.0 2.0
   61    33    37    40   0.20000  1.0 3.0
   61    33   -37    48   0.47050  1.0 1.0
   61    33   -37    48   0.03900 -1.0 2.0
   61    33   -37    48   0.20100  1.0 3.0
   61    33    39    69   0.56750  1.0 1.0
   61    33    39    69  -0.07550 -1.0 2.0
   61    33    39    69   0.20000  1.0 3.0
   61    33    39    42   0.56750  1.0 1.0
   61    33    39    42  -0.07550 -1.0 2.0
   61    33    39    42   0.20000  1.0 3.0
   61    33    39    46   0.86500  1.0 1.0
   61    33    39    46  -0.17500 -1.0 2.0
   61    33    39    46   0.20800  1.0 3.0
   61    51   -63    48   0.06250  1.0 1.0
   61    51   -63    48  -0.01100 -1.0 2.0
   61    51   -63    48   0.28050  1.0 3.0
   62    61    72    73   0.19450  1.0 3.0
   63    48   -51    52   0.23400  1.0 3.0
   63    48   -51    61   0.02550  1.0 1.0
   63    48   -51    61  -0.02600 -1.0 2.0
   63    48   -51    61   1.20400  1.0 3.0
   63    48    53    54   0.23400  1.0 3.0
   63    48    53    55   0.23400  1.0 3.0
   63    48    53    56   0.23400  1.0 3.0
   63    51   -61    33   0.02550  1.0 1.0
   63    51   -61    33  -0.02600 -1.0 2.0
   63    51   -61    33   1.20400  1.0 3.0
   63    51    61    62   0.23400  1.0 3.0
   63    51    61    72   3.69350  1.0 1.0
   63    51    61    72  -1.82950 -1.0 2.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    61   0.56750  1.0 1.0
   53    48    51    61  -0.07550 -1.0 2.0
   53    48    51    61   0.20000  1.0 3.0
   53    48   -51    63   0.02550  1.0 1.0
   53    48   -51    63  -0.02600 -1.0 2.0
   53    48   -51    63   1.20400  1.0 3.0
   53    48   -63    51   0.06250  1.0 1.0
   53    48   -63    51  -0.01100 -1.0 2.0
   53    48   -63    51   0.28050  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
   49    64    57    66   1.10000 -1.0 2.0
   57    74    64    65  10.50000 -1.0 2.0
   67    68    66    57   1.10000 -1.0 2.0
END
