* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    129    217     385
    1     0 S   NP   _N1_     1    31.58805   101.47215   -21.17342
    2     1 S   H    _HN1     2     1.03458   164.91305   -90.82249
    3     1 S   H    _H1_     3     1.02864    57.35847  -106.03128
    4     1 S   H    _H2_     4     1.02756    82.14525   137.60953
    5     1 S   CT   _CA1     5     1.50137    73.48612    22.94249
    6     5 S   HC   _HA1     6     1.09466   104.88274   132.62832
    7     5 S   CO3  _C1_     7     1.53707   113.45716    12.03837
    8     7 S   O2Z  _O11     8     1.26410   115.07339   -28.37035
    9     7 S   O2Z  _O12     9     1.26250   115.11430   151.20850
   10     5 S   CT   _CB1    10     1.52960   107.39111  -109.05536
   11    10 S   HC   HB11    11     1.09564   109.32255   -40.60582
   12    10 S   HC   HB12    12     1.09836   110.44134    74.99981
   13    10 S   CT   _CG1    13     1.53252   113.09463  -163.03609
   14    13 S   HC   HG11    14     1.09532   110.98301   -92.19204
   15    13 S   HC   HG12    15     1.09643   111.53741    27.30838
   16    13 S   C    _CD1    16     1.51475   109.32505   147.51638
   17    16 S   O    _OE1    17     1.22754   122.15463    92.89825
   18    16 S   N    _N2_    18     1.38485   112.18336   -83.88116
   19    18 S   H    _HN2    19     1.01533   119.00492    -4.91255
   20    18 S   CT1  _CA2    20     1.46137   123.23989   172.10484
   21    20 S   HC   _HA2    21     1.09682   108.79719    29.15964
   22    20 S   C    _C2_    22     1.53340   108.75299   -87.53053
   23    22 S   O    _O2_    23     1.23098   121.18384   153.88582
   24    20 S   CT   _CB2    32     1.53278   111.49508   152.55044
   25    24 S   HC   HB21    33     1.09317   109.19903    59.16759
   26    24 S   HC   HB22    34     1.09534   110.21377   177.32980
   27    22 S   N    _N3_    24     1.38370   114.38047   -33.33905
   28    27 S   H    _HN3    25     1.01479   119.36648     2.70038
   29    24 S   S    _SG2    35     1.83150   110.37423   -62.81452
   30    27 S   CT   _CA3    26     1.45274   123.54163  -177.86678
   31    30 S   HC   HA31    27     1.09552   108.23262   -45.20363
   32    30 S   HC   HA32    28     1.09538   107.27128    71.26579
   33    29 S   CT   _C11    36     1.86148   102.45649   156.67418
   34    33 S   OM   _O40    37     1.31983   109.14089    59.68355
   35    30 S   CO3  _C3_    29     1.53107   114.18382  -167.40861
   36    35 S   O2Z  _O31    30     1.26478   116.32824     0.62745
   37    35 S   O2Z  _O32    31     1.26409   114.43536  -179.62780
   38    33 S   CO4  _C10    38     1.52656   106.74963   -58.75814
   39    38 S   O    _O33    39     1.23198   124.92326   106.59572
   40    33 S   CT   _C12    51     1.59443   114.97404  -176.63623
   41    40 S   HC   _H3_    52     1.09907   103.97047  -176.86962
   42    38 S   CM   _C9_    40     1.49146   115.17414   -71.24956
   43    40 S   CM   _C14    53     1.57096   112.72440   -60.98507
   44    42 S   CM   _C4_    41     1.34163   116.43408   146.76951
   45    44 S   HC   _H4_    42     1.08462   123.08543    -0.76053
   46    43 S   CM   _C19    54     1.36059   125.96184   -96.27824
   47    44 S   CO4  _C5_    43     1.48005   120.36717   178.81535
   48    47 S   O    _O42    44     1.22609   121.08685   178.97626
   49    46 S   CM   _C18    55     1.47556   121.83527   172.84612
   50    47 S   CM   _C6_    45     1.47906   117.61560    -1.60620
   51    50 S   HC   _H5_    46     1.08401   117.36578  -178.42356
   52    49 S   CM   _C17    56     1.46583   118.06610    18.13178
   53    49 S   CMA  _C23    63     1.36185   119.27906  -161.63029
   54    53 S   OM   _O36    64     1.26487   131.92616  -179.26591
   55    50 S   CM   _C7_    47     1.33913   120.96534     1.54611
   56    52 S   CM   _C16    57     1.33251   120.54629   -14.31373
   57    56 S   HC   _H6_    58     1.08391   121.59626  -178.45048
   58    52 S   OH   _O38    61     1.38308   120.01038   166.45799
   59    58 S   HO   _H8_    62     0.97516   107.65643     3.76993
   60    53 S   CM   _C22    65     1.46560   118.64205     3.83686
   61    60 S   HC   _H7_    66     1.09347   116.88211   165.18377
   62    42 S   CM   _C8_    48     1.46451   120.86135   -33.37658
   63    43 S   CO4  _C15    59     1.51899   116.89482    84.66825
   64    63 S   O    _O39    60     1.22838   123.68749    -2.98321
   65    60 S   CMA  _C21    67     1.34843   126.70594   -15.23772
   66    65 S   OM   _O37    68     1.26322   130.02185  -178.18609
   67    55 S   OH   _O41    71     1.38436   118.59885   179.63203
   68    67 S   HO   _H9_    72     0.97556   107.61427  -179.96574
   69    62 S   CMA  _C13    49     1.36846   120.31004     0.16432
   70    69 S   OM   _O34    50     1.26935   128.96291  -168.75708
   71    46 S   CO4  _C20    69     1.50704   121.97690    -8.72634
   72    71 S   O    _O35    70     1.22941   122.10540   -36.87929
  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   9   5   4   3
  13   7   2   1   1  11   4  13   6  10  14   8   4  14   6   3
  13   6   3  10   8   3   5   5   3   2   1   5   3   4   3   1
   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    69    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    62    69    70    40    41    43    46    63  
   38    39    42    69    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    47    55    62    69    40    41    43  
   42    44    62    40  
   41    43    46    49    56    63    64    71    42    55    62    69    70  
   43    46    63    62    69    70  
   44    45    47    48    50    55    62    69    70    67  
   46    49    52    56    57    63    64    53    65    71    72    62    69    70  
   45    47    48    50    51    55    62    69  
   47    48    50    62  
   49    52    56    63    64    58    53    54    60    65    66    71    72    69  
   48    50    51    55    62    67  
   50    51    55  
   52    56    57    63    58    59    53    54    60    61    65    71    72  
   51    55    62    69    67    68  
   55    62    67  
   56    57    63    64    58    59    53    54    60    71  
   54    60    61    65    66    71    56    58  
   60    61    65  
   62    69    70    67    68  
   57    63    64    58    59  
   63    64    58  
   59    63  
    0  
   61    65    66    71    72  
   65    66    71  
   69    70    67    68  
   64    71    69  
    0  
   66    71    72  
   71    72  
   68    69  
    0  
   70  
    0  
   72  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   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    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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   320.000  1.462
   42    44   549.000  1.340
   42    62   380.000  1.444
   44    45   340.000  1.080
   44    47   320.000  1.462
   47    48   570.000  1.229
   47    50   320.000  1.462
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    62   380.000  1.444
   55    67   510.000  1.338
   62    69   465.000  1.376
   69    70   745.000  1.250
   69    40   270.000  1.512
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   549.000  1.340
   43    63   320.000  1.462
   46    49   380.000  1.444
   46    71   320.000  1.462
   49    52   380.000  1.444
   49    53   465.000  1.376
   52    56   549.000  1.340
   52    58   510.000  1.338
   56    57   340.000  1.080
   56    63   320.000  1.462
   63    64   570.000  1.229
   58    59   553.000  0.945
   53    54   745.000  1.250
   53    60   465.000  1.376
   60    61   340.000  1.080
   60    65   465.000  1.376
   65    66   745.000  1.250
   65    71   270.000  1.476
   71    72   570.000  1.229
   67    68   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    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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  118.62400
   33    40    69    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    65.00000  118.96000
   38    42    62    65.00000  118.96000
   42    38    39    80.00000  123.72100
   42    44    45    35.00000  120.00000
   42    44    47    65.00000  118.96000
   42    62    55    70.00000  123.01800
   42    62    69    70.00000  117.34000
   44    47    48    80.00000  123.72100
   44    47    50    65.00000  118.65900
   47    44    45    40.00000  117.72500
   47    50    51    40.00000  117.72500
   47    50    55    65.00000  118.96000
   50    47    48    80.00000  123.72100
   50    55    62    70.00000  123.01800
   50    55    67    80.00000  121.38400
   55    50    51    35.00000  120.00000
   55    62    69    70.00000  117.34000
   55    67    68    70.00000  107.45700
   62    42    44    70.00000  123.01800
   62    69    70    65.00000  137.10300
   62    69    40    65.00000  122.18000
   69    40    41    45.00000  110.52000
   69    40    43    70.00000  110.12100
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    69    70    85.00000  112.85300
   40    43    46    70.00000  124.00000
   40    43    63    65.00000  116.34900
   43    40    41    35.00000  109.50000
   43    46    49    70.00000  123.01800
   43    46    71    65.00000  118.96000
   43    63    56    65.00000  118.65900
   43    63    64    80.00000  123.72100
   46    49    52    70.00000  123.01800
   46    49    53    70.00000  117.34000
   46    71    65    65.00000  118.65900
   46    71    72    80.00000  123.72100
   49    52    56    70.00000  123.01800
   49    52    58    80.00000  121.38400
   49    53    54    65.00000  137.10300
   49    53    60    70.00000  123.01800
   52    56    57    35.00000  120.00000
   52    56    63    65.00000  118.96000
   52    58    59    70.00000  107.45700
   56    63    64    80.00000  123.72100
   63    43    46    65.00000  118.96000
   63    56    57    40.00000  117.72500
   58    52    56    80.00000  121.38400
   53    49    52    70.00000  117.34000
   53    60    61    40.00000  120.50800
   53    60    65    70.00000  117.34000
   60    53    54    65.00000  137.10300
   60    65    66    65.00000  137.10300
   60    65    71    65.00000  114.61000
   65    60    61    40.00000  120.50800
   65    71    72    80.00000  120.81000
   71    46    49    65.00000  118.96000
   71    65    66    85.00000  116.28000
   67    55    62    80.00000  121.38400
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    69   0.56750  1.0 1.0
   29    33    40    69  -0.07550 -1.0 2.0
   29    33    40    69   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44  -0.33500  1.0 1.0
   33    38    42    44   1.06600 -1.0 2.0
   33    38    42    44  -0.14000  1.0 3.0
   33    38    42    62  -0.33500  1.0 1.0
   33    38    42    62   1.06600 -1.0 2.0
   33    38    42    62  -0.14000  1.0 3.0
   33    40    43    46   0.09850  1.0 1.0
   33    40    43    46   0.15250 -1.0 2.0
   33    40    43    46  -0.50650  1.0 3.0
   33    40    43    63   0.09700  1.0 1.0
   33    40    43    63   0.15600 -1.0 2.0
   33    40    43    63  -0.50800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    69   0.61850  1.0 1.0
   34    33    40    69  -0.22750 -1.0 2.0
   34    33    40    69   0.15300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    69  -0.98800  1.0 1.0
   38    33    40    69   0.48800 -1.0 2.0
   38    33    40    69   0.76800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   7.00000 -1.0 2.0
   38    42    44    47   7.00000 -1.0 2.0
   38    42    62    55  -0.18600  1.0 3.0
   38    42   -62    69  -0.18600  1.0 3.0
   39    38    42    44   1.00000 -1.0 2.0
   39    38    42    62   1.00000 -1.0 2.0
   42    44    47    48   1.00000 -1.0 2.0
   42    44    47    50  -1.18350  1.0 1.0
   42    44    47    50   1.45950 -1.0 2.0
   42    62    69    70   7.00000 -1.0 2.0
   42    62    69    40   7.00000 -1.0 2.0
   44    42    62    55   0.28850  1.0 1.0
   44    42    62    55   2.61350 -1.0 2.0
   44    42    62    55   0.78400  1.0 3.0
   44    42    62    69   0.28850  1.0 1.0
   44    42    62    69   2.61350 -1.0 2.0
   44    42    62    69   0.78400  1.0 3.0
   44    47    50    51   0.93700 -1.0 2.0
   44    47   -50    55  -1.18350  1.0 1.0
   44    47   -50    55   1.45950 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    50   0.93700 -1.0 2.0
   47    50    55    62   7.00000 -1.0 2.0
   47    50    55    67   7.00000 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    55   1.00000 -1.0 2.0
   50    55   -62    42   0.28850  1.0 1.0
   50    55   -62    42   2.61350 -1.0 2.0
   50    55   -62    42   0.78400  1.0 3.0
   50    55    62    69   0.28850  1.0 1.0
   50    55    62    69   2.61350 -1.0 2.0
   50    55    62    69   0.78400  1.0 3.0
   50    55    67    68  -0.66100  1.0 1.0
   50    55    67    68   1.20850 -1.0 2.0
   50    55    67    68  -0.36000  1.0 3.0
   51    50    55    62   7.00000 -1.0 2.0
   51    50    55    67   7.00000 -1.0 2.0
   55    62    69    70   7.00000 -1.0 2.0
   55    62    69    40   7.00000 -1.0 2.0
   62    42    44    45   7.00000 -1.0 2.0
   62    42   -44    47   7.00000 -1.0 2.0
   62    55    67    68  -0.66100  1.0 1.0
   62    55    67    68   1.20850 -1.0 2.0
   62    55    67    68  -0.36000  1.0 3.0
   62    69   -40    33   0.09850  1.0 1.0
   62    69   -40    33   0.15250 -1.0 2.0
   62    69   -40    33  -0.50650  1.0 3.0
   62    69    40    41   0.00000  1.0 1.0
   62    69    40    43  -0.28300  1.0 1.0
   62    69    40    43   0.26700 -1.0 2.0
   62    69    40    43  -0.63300  1.0 3.0
   69    40    43    46  -0.28300  1.0 1.0
   69    40    43    46   0.26700 -1.0 2.0
   69    40    43    46  -0.63300  1.0 3.0
   69    40    43    63   0.09700  1.0 1.0
   69    40    43    63   0.15600 -1.0 2.0
   69    40    43    63  -0.50800  1.0 3.0
   70    69    40    33   0.09700  1.0 1.0
   70    69    40    33   0.15600 -1.0 2.0
   70    69    40    33  -0.50800  1.0 3.0
   70    69    40    41   0.00000  1.0 1.0
   70    69    40    43   0.09700  1.0 1.0
   70    69    40    43   0.15600 -1.0 2.0
   70    69    40    43  -0.50800  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
   40    43    46    49   7.00000 -1.0 2.0
   40    43    46    71   7.00000 -1.0 2.0
   40    43    63    56   1.50000 -1.0 2.0
   40    43    63    64  -0.64400  1.0 1.0
   40    43    63    64   0.26850 -1.0 2.0
   41    40    43    46   0.00000  1.0 1.0
   41    40    43    63   0.15000  1.0 3.0
   43    46    49    52   0.28850  1.0 1.0
   43    46    49    52   2.61350 -1.0 2.0
   43    46    49    52   0.78400  1.0 3.0
   43    46    49    53   0.28850  1.0 1.0
   43    46    49    53   2.61350 -1.0 2.0
   43    46    49    53   0.78400  1.0 3.0
   43    46    71    65  -1.18350  1.0 1.0
   43    46    71    65   1.45950 -1.0 2.0
   43    46    71    72   1.00000 -1.0 2.0
   46    43    63    56  -1.18350  1.0 1.0
   46    43    63    56   1.45950 -1.0 2.0
   46    43    63    64   1.00000 -1.0 2.0
   46    49   -52    56   0.28850  1.0 1.0
   46    49   -52    56   2.61350 -1.0 2.0
   46    49   -52    56   0.78400  1.0 3.0
   46    49    52    58   0.50950  1.0 1.0
   46    49    52    58   0.56650 -1.0 2.0
   46    49    52    58   0.34050  1.0 3.0
   46    49    53    54   7.00000 -1.0 2.0
   46    49    53    60   7.00000 -1.0 2.0
   49    46    71    65  -1.18350  1.0 1.0
   49    46    71    65   1.45950 -1.0 2.0
   49    46    71    72   1.00000 -1.0 2.0
   49    52    56    57   7.00000 -1.0 2.0
   49    52    56    63   7.00000 -1.0 2.0
   49    52    58    59  -0.66100  1.0 1.0
   49    52    58    59   1.20850 -1.0 2.0
   49    52    58    59  -0.36000  1.0 3.0
   49    53    60    61   7.00000 -1.0 2.0
   49    53   -60    65   7.00000 -1.0 2.0
   52    49    53    54   7.00000 -1.0 2.0
   52    49    53    60   7.00000 -1.0 2.0
   52    56   -63    43  -1.18350  1.0 1.0
   52    56   -63    43   1.45950 -1.0 2.0
   52    56    63    64   1.00000 -1.0 2.0
   56    52    58    59  -0.66100  1.0 1.0
   56    52    58    59   1.20850 -1.0 2.0
   56    52    58    59  -0.36000  1.0 3.0
   57    56    63    43   0.93700 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   63    43   -46    49   7.00000 -1.0 2.0
   63    43    46    71   7.00000 -1.0 2.0
   58    52    56    57   7.00000 -1.0 2.0
   58    52    56    63   7.00000 -1.0 2.0
   53    49    52    56   0.28850  1.0 1.0
   53    49    52    56   2.61350 -1.0 2.0
   53    49    52    56   0.78400  1.0 3.0
   53    49    52    58   0.50950  1.0 1.0
   53    49    52    58   0.56650 -1.0 2.0
   53    49    52    58   0.34050  1.0 3.0
   53    60    65    66   7.00000 -1.0 2.0
   53    60    65    71   7.00000 -1.0 2.0
   54    53    60    61   7.00000 -1.0 2.0
   54    53    60    65   7.00000 -1.0 2.0
   60    65   -71    46  -1.18350  1.0 1.0
   60    65   -71    46   1.45950 -1.0 2.0
   60    65    71    72   1.00000 -1.0 2.0
   61    60    65    66   7.00000 -1.0 2.0
   61    60    65    71   7.00000 -1.0 2.0
   66    65    71    46   1.50000 -1.0 2.0
   66    65    71    72  -0.11900  1.0 1.0
   66    65    71    72   0.76850 -1.0 2.0
   66    65    71    72   0.14100  1.0 3.0
   71    46    49    52  -0.18600  1.0 3.0
   71    46   -49    53  -0.18600  1.0 3.0
   67    55    62    42   0.50950  1.0 1.0
   67    55    62    42   0.56650 -1.0 2.0
   67    55    62    42   0.34050  1.0 3.0
   67    55    62    69   0.50950  1.0 1.0
   67    55    62    69   0.56650 -1.0 2.0
   67    55    62    69   0.34050  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
   33    42    38    39  10.50000 -1.0 2.0
   38    62    42    44   1.10000 -1.0 2.0
   47    45    44    42   1.10000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   47    51    50    55   1.10000 -1.0 2.0
   62    67    55    50   1.10000 -1.0 2.0
   42    55    62    69   1.10000 -1.0 2.0
   40    70    69    62   1.10000 -1.0 2.0
   40    63    43    46   1.10000 -1.0 2.0
   49    71    46    43   1.10000 -1.0 2.0
   46    52    49    53   1.10000 -1.0 2.0
   49    58    52    56   1.10000 -1.0 2.0
   63    57    56    52   1.10000 -1.0 2.0
   43    56    63    64  10.50000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   53    61    60    65   1.10000 -1.0 2.0
   71    66    65    60   1.10000 -1.0 2.0
   46    65    71    72  10.50000 -1.0 2.0
END
