* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    138    213     409
    1     0 S   NP   _N1_     1    28.13233    95.34556   -19.83556
    2     1 S   H    _HN1     2     1.02792    86.57752   -95.60312
    3     1 S   H    _H1_     3     1.02954    87.08617    12.89090
    4     1 S   H    _H2_     4     1.02842    36.19904   137.51336
    5     1 S   CT   _CA1     5     1.50113   147.00010   137.37223
    6     5 S   HC   _HA1     6     1.09580   105.20195    59.33083
    7     5 S   CO3  _C1_     7     1.53717   112.35955   -60.75960
    8     7 S   O2Z  _O11     8     1.26362   115.17033   -46.48662
    9     7 S   O2Z  _O12     9     1.26254   115.03506   132.89168
   10     5 S   CT   _CB1    10     1.53146   107.40894   177.07832
   11    10 S   HC   HB11    11     1.09822   109.21237   -51.39503
   12    10 S   HC   HB12    12     1.09813   110.49107    65.12333
   13    10 S   CT   _CG1    13     1.53016   112.70353  -172.53034
   14    13 S   HC   HG11    14     1.09563   110.40367   -65.13993
   15    13 S   HC   HG12    15     1.09658   109.95744    53.96763
   16    13 S   C    _CD1    16     1.51904   112.44978   174.18169
   17    16 S   O    _OE1    17     1.22725   123.29130    -3.29663
   18    16 S   N    _N2_    18     1.38541   111.63859   176.91472
   19    18 S   H    _HN2    19     1.01590   118.80647     4.27975
   20    18 S   CT1  _CA2    20     1.45963   123.29559   176.15682
   21    20 S   HC   _HA2    21     1.09704   109.36350    12.98651
   22    20 S   C    _C2_    22     1.52859   106.69480  -103.93662
   23    22 S   O    _O2_    23     1.22975   122.97490   -26.76370
   24    20 S   CT   _CB2    32     1.53142   111.79139   136.46342
   25    24 S   HC   HB21    33     1.09599   109.84232    50.20442
   26    24 S   HC   HB22    34     1.09532   110.63944   169.29413
   27    22 S   N    _N3_    24     1.38465   112.57841   156.02578
   28    27 S   H    _HN3    25     1.01654   120.40103    -2.23371
   29    24 S   S    _SG2    35     1.82539   110.70416   -71.07340
   30    27 S   CT   _CA3    26     1.45362   122.49916   178.54815
   31    30 S   HC   HA31    27     1.09566   107.81894   -55.75612
   32    30 S   HC   HA32    28     1.09561   107.61417    60.59373
   33    29 S   S    _S2_    36     2.05971   101.93923   166.18229
   34    30 S   CO3  _C3_    29     1.52893   114.28378  -177.65065
   35    34 S   O2Z  _O31    30     1.26340   116.03920     0.16313
   36    34 S   O2Z  _O32    31     1.26431   114.41881  -179.86878
   37    33 S   CT   _C13    37     1.83141   102.25505   -84.67013
   38    37 S   HC   _H5_    38     1.09677   106.27190    51.25896
   39    37 S   CO4  _C12    39     1.51863   110.35794   -66.02606
   40    39 S   O    _O34    40     1.22389   125.69144   -32.77169
   41    37 S   CT   _C14    66     1.53877   112.95478   169.16969
   42    41 S   HC   _H19    67     1.09995   107.47516  -175.24268
   43    41 S   HC   _H20    68     1.09952   108.37466   -61.13369
   44    39 S   OS   _O33    41     1.36714   108.94970   148.47837
   45    41 S   CT   _C15    69     1.53977   115.43963    62.70605
   46    45 S   SM   _S1_    70     1.83681   108.82990   177.60257
   47    45 S   HC   _H21    71     1.09523   109.78550   -60.18756
   48    45 S   HC   _H22    72     1.09562   109.44352    55.77529
   49    44 S   CT   _C10    42     1.44043   117.07970   179.38071
   50    49 S   HC   _H16    43     1.09773   109.18258    36.66506
   51    49 S   CT   _C11    44     1.53788   109.96016   -83.79375
   52    51 S   HC   _H17    45     1.09680   109.31428    75.59360
   53    51 S   HC   _H18    46     1.09821   109.58993   -39.56724
   54    49 S   CT   _C9_    57     1.53622   107.86808   153.73852
   55    54 S   HC   _H14    58     1.09823   109.81502    40.83637
   56    54 S   HC   _H15    59     1.09592   108.59943   -74.04005
   57    51 S   CT   _C5_    47     1.53547   112.62637  -162.07088
   58    57 S   HC   _H3_    48     1.09458   111.34479   178.28035
   59    57 S   CT   _C6_    49     1.52992   112.84109   -52.60673
   60    59 S   HC   _H10    50     1.09498   112.47546   -35.38065
   61    59 S   HC   _H11    51     1.09649   110.26084  -154.60643
   62    59 S   CT   _C7_    52     1.53287   105.65939    87.21999
   63    62 S   HC   _H12    53     1.09647   109.48406   118.86655
   64    62 S   HC   _H13    54     1.09490   112.03145  -122.72436
   65    62 S   CT   _C8_    55     1.53015   105.69730     0.12820
   66    65 S   HC   _H4_    56     1.09408   113.66390   144.42994
   67    57 S   NP   _N4_    60     1.51687   106.32390    59.45685
   68    67 S   H    _H9_    61     1.02967   109.64744    40.91708
   69    67 S   CT   _C4_    62     1.50011   114.92232   160.10993
   70    69 S   HC   _H6_    63     1.09215   109.83219    58.94292
   71    69 S   HC   _H7_    64     1.09295   107.68436   179.67314
   72    69 S   HC   _H8_    65     1.09293   107.67182   -61.77575
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  12   7  10   3   7   5   4  10   3   2   1   1
  14   8  15   6   5  12   5   4  15   8  10   6   5   7   4   3
   7   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    44    41    42    43    45  
   35    36  
   36  
    0  
   38    39    40    44    49    41    42    43    45    46    47    48  
   39    40    44    41    42    43    45  
   40    44    49    50    51    54    41    42    43    45  
   44    49    41  
   42    43    45    46    47    48    44  
   43    45    46    47    48  
   45    46    47    48  
   49    50    51    52    53    57    65    54    55    56  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    57    58    59    62    65    66    54    55    56    67  
   51    52    53    57    65    54    55    56  
   52    53    57    58    59    60    61    62    65    54    55    56    67    68    69  
   53    57    58    59    54    67  
   57    58    59    54    67  
   55    56    67    68    69    57    59    62    63    64    65    66  
   56    67    62    65    66  
   67    62    65    66  
   58    59    60    61    62    63    64    65    66    67    68    69    70    71    72  
   59    60    61    62    65    67    68    69  
   60    61    62    63    64    65    66    67    68    69  
   61    62    63    64    65    67  
   62    63    64    65    67  
   63    64    65    66    67    68    69  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71    72  
   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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   317.000  1.522
   37    41   268.000  1.529
   39    40   570.000  1.229
   39    44   214.000  1.327
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    67   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    54   268.000  1.529
   65    67   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   67    68   434.000  1.010
   67    69   367.000  1.471
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   222.000  1.810
   45    47   340.000  1.090
   45    48   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    75.00000  110.18000
   33    37    41    75.00000  111.63000
   37    39    40    80.00000  120.40000
   37    39    44    81.00000  111.40000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    45    58.35000  112.70000
   39    37    38    35.00000  109.50000
   39    44    49    83.00000  116.90000
   44    39    40    83.00000  123.40000
   44    49    50    35.00000  109.50000
   44    49    51    50.00000  109.50000
   44    49    54    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    57    58.35000  112.70000
   49    54    65    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    58.35000  112.70000
   51    57    67    80.00000  111.20000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    58.35000  112.70000
   57    67    65    75.00000  113.01200
   57    67    68    35.00000  109.50000
   57    67    69    75.00000  113.01200
   59    57    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    54    58.35000  112.70000
   62    65    67    80.00000  111.20000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    54    55    37.50000  110.70000
   65    54    56    37.50000  110.70000
   65    67    68    35.00000  109.50000
   65    67    69    75.00000  113.01200
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    65    66    37.50000  110.70000
   56    54    55    33.00000  107.80000
   67    57    58    35.00000  109.50000
   67    57    59    80.00000  111.20000
   67    65    66    35.00000  109.50000
   67    65    54    80.00000  111.20000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    35.00000  109.50000
   69    67    68    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    63.00000  111.10000
   41    45    46    75.00000  111.63000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   47    45    46    35.00000  109.50000
   48    45    46    35.00000  109.50000
   48    45    47    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.09450  1.0 1.0
   29    33    37    39  -0.17100 -1.0 2.0
   29    33    37    39   0.39050  1.0 3.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    39    40   0.30150 -1.0 2.0
   33    37    39    44   0.40000  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    45   0.44750  1.0 1.0
   33    37    41    45  -0.17800 -1.0 2.0
   33    37    41    45   0.20200  1.0 3.0
   37    39    44    49   1.63150  1.0 1.0
   37    39    44    49   2.92000 -1.0 2.0
   37    41    45    46   0.44750  1.0 1.0
   37    41    45    46  -0.17800 -1.0 2.0
   37    41    45    46   0.20200  1.0 3.0
   37    41    45    47   0.15000  1.0 3.0
   37    41    45    48   0.15000  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    44   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    43   0.15000  1.0 3.0
   38    37    41    45   0.15000  1.0 3.0
   39    37    41    42  -0.11250  1.0 3.0
   39    37    41    43  -0.11250  1.0 3.0
   39    37    41    45  -0.95700  1.0 1.0
   39    37    41    45  -0.18200 -1.0 2.0
   39    37    41    45   0.29450  1.0 3.0
   39    44    49    50   0.08050  1.0 3.0
   39    44    49    51  -0.25900  1.0 1.0
   39    44    49    51  -0.47000 -1.0 2.0
   39    44    49    51   0.11750  1.0 3.0
   39    44    49    54  -0.25900  1.0 1.0
   39    44    49    54  -0.47000 -1.0 2.0
   39    44    49    54   0.11750  1.0 3.0
   40    39    44    49   3.00000 -1.0 2.0
   44    49    51    52   0.23400  1.0 3.0
   44    49    51    53   0.23400  1.0 3.0
   44    49    51    57   0.62750  1.0 1.0
   44    49    51    57  -0.30950 -1.0 2.0
   44    49    51    57   0.27300  1.0 3.0
   44    49    54    65   0.62750  1.0 1.0
   44    49    54    65  -0.30950 -1.0 2.0
   44    49    54    65   0.27300  1.0 3.0
   44    49    54    55   0.23400  1.0 3.0
   44    49    54    56   0.23400  1.0 3.0
   49    51    57    58   0.15000  1.0 3.0
   49    51    57    59   0.56750  1.0 1.0
   49    51    57    59  -0.07550 -1.0 2.0
   49    51    57    59   0.20000  1.0 3.0
   49    51    57    67   1.36600  1.0 1.0
   49    51    57    67  -0.11450 -1.0 2.0
   49    51    57    67   0.24250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    57   0.15000  1.0 3.0
   50    49    54    65   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   51    49    54    65   0.56750  1.0 1.0
   51    49    54    65  -0.07550 -1.0 2.0
   51    49    54    65   0.20000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    57    59    60   0.15000  1.0 3.0
   51    57    59    61   0.15000  1.0 3.0
   51    57    59    62   0.56750  1.0 1.0
   51    57    59    62  -0.07550 -1.0 2.0
   51    57    59    62   0.20000  1.0 3.0
   51    57   -67    65   0.47100  1.0 1.0
   51    57    67    68   0.17350  1.0 3.0
   51    57    67    69   0.47100  1.0 1.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    67   0.19200  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    67   0.19200  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    64   0.15000  1.0 3.0
   57    59   -62    65   0.56750  1.0 1.0
   57    59   -62    65  -0.07550 -1.0 2.0
   57    59   -62    65   0.20000  1.0 3.0
   57    67    69    70   0.15000  1.0 3.0
   57    67    69    71   0.15000  1.0 3.0
   57    67    69    72   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    67    65   0.15000  1.0 3.0
   58    57    67    68   0.13050  1.0 3.0
   58    57    67    69   0.15000  1.0 3.0
   59    57   -67    65   0.47100  1.0 1.0
   59    57    67    68   0.17350  1.0 3.0
   59    57    67    69   0.47100  1.0 1.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    54   0.56750  1.0 1.0
   59    62    65    54  -0.07550 -1.0 2.0
   59    62    65    54   0.20000  1.0 3.0
   59    62   -65    67   1.36600  1.0 1.0
   59    62   -65    67  -0.11450 -1.0 2.0
   59    62   -65    67   0.24250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    54    49   0.56750  1.0 1.0
   62    65    54    49  -0.07550 -1.0 2.0
   62    65    54    49   0.20000  1.0 3.0
   62    65    54    55   0.15000  1.0 3.0
   62    65    54    56   0.15000  1.0 3.0
   62    65   -67    57   0.47100  1.0 1.0
   62    65    67    68   0.17350  1.0 3.0
   62    65    67    69   0.47100  1.0 1.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    54   0.15000  1.0 3.0
   63    62    65    67   0.19200  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    54   0.15000  1.0 3.0
   64    62    65    67   0.19200  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    71   0.15000  1.0 3.0
   65    67    69    72   0.15000  1.0 3.0
   66    65    54    49   0.15000  1.0 3.0
   66    65    54    55   0.15000  1.0 3.0
   66    65    54    56   0.15000  1.0 3.0
   66    65    67    57   0.15000  1.0 3.0
   66    65    67    68   0.13050  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    57   0.56750  1.0 1.0
   54    49    51    57  -0.07550 -1.0 2.0
   54    49    51    57   0.20000  1.0 3.0
   54    65   -67    57   0.47100  1.0 1.0
   54    65    67    68   0.17350  1.0 3.0
   54    65    67    69   0.47100  1.0 1.0
   67    57    59    60   0.19200  1.0 3.0
   67    57    59    61   0.19200  1.0 3.0
   67    57   -59    62   1.36600  1.0 1.0
   67    57   -59    62  -0.11450 -1.0 2.0
   67    57   -59    62   0.24250  1.0 3.0
   67    65   -54    49   1.36600  1.0 1.0
   67    65   -54    49  -0.11450 -1.0 2.0
   67    65   -54    49   0.24250  1.0 3.0
   67    65    54    55   0.19200  1.0 3.0
   67    65    54    56   0.19200  1.0 3.0
   68    67    69    70   0.13050  1.0 3.0
   68    67    69    71   0.13050  1.0 3.0
   68    67    69    72   0.13050  1.0 3.0
   41    37    39    40   0.30150 -1.0 2.0
   41    37    39    44   0.36750  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    48   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    44    39    40  10.50000 -1.0 2.0
END
