* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    140    214     412
    1     0 S   NP   _N1_     1    28.97780    94.89737   -19.52666
    2     1 S   H    _HN1     2     1.02847    32.04361   154.98214
    3     1 S   H    _H1_     3     1.02793    81.05094   -58.43062
    4     1 S   H    _H2_     4     1.02955   100.05679    48.62755
    5     1 S   CT   _CA1     5     1.50088   139.51446  -172.17669
    6     5 S   HC   _HA1     6     1.09597   105.22550    41.45060
    7     5 S   CO3  _C1_     7     1.53816   112.12554   -78.42660
    8     7 S   O2Z  _O11     8     1.26318   115.15972   -54.15563
    9     7 S   O2Z  _O12     9     1.26268   114.85196   124.96055
   10     5 S   CT   _CB1    10     1.53123   107.37783   158.85303
   11    10 S   HC   HB11    11     1.09806   109.19792   -53.71304
   12    10 S   HC   HB12    12     1.09822   110.55847    62.77395
   13    10 S   CT   _CG1    13     1.52961   112.54445  -175.03683
   14    13 S   HC   HG11    14     1.09484   109.96687   -61.97913
   15    13 S   HC   HG12    15     1.09618   110.33569    56.94524
   16    13 S   C    _CD1    16     1.51817   112.13573   176.88894
   17    16 S   O    _OE1    17     1.22747   122.96938   -21.62800
   18    16 S   N    _N2_    18     1.38530   111.86815   159.86032
   19    18 S   H    _HN2    19     1.01565   119.09042    -0.56855
   20    18 S   CT1  _CA2    20     1.46301   123.61146  -179.33589
   21    20 S   HC   _HA2    21     1.09730   109.33708   -17.23536
   22    20 S   C    _C2_    22     1.53463   108.13955  -132.84098
   23    22 S   O    _O2_    23     1.23004   122.37039  -146.72133
   24    20 S   CT   _CB2    32     1.53414   111.20084   105.12670
   25    24 S   HC   HB21    33     1.09470   109.40359    52.07565
   26    24 S   HC   HB22    34     1.09493   110.91302   170.61020
   27    22 S   N    _N3_    24     1.38558   113.32408    40.78062
   28    27 S   H    _HN3    25     1.01528   118.87386    -0.41496
   29    24 S   S    _SG2    35     1.82911   111.66774   -70.27680
   30    27 S   CT   _CA3    26     1.45434   123.40274   175.13937
   31    30 S   HC   HA31    27     1.09527   109.17904    25.55395
   32    30 S   HC   HA32    28     1.09494   107.13417   142.54943
   33    29 S   CT   _C5_    36     1.83657    99.75570   152.31273
   34    33 S   HC   _H3_    37     1.09524   105.65770    46.19983
   35    30 S   CO3  _C3_    29     1.52927   113.16062   -97.88346
   36    35 S   O2Z  _O31    30     1.26399   115.42284   -43.85829
   37    35 S   O2Z  _O32    31     1.26357   114.96666   137.09654
   38    33 S   CM   _C6_    38     1.53551   111.30186   -75.11608
   39    33 S   CT   _C4_    70     1.53015   109.21629   160.24865
   40    39 S   HC   _H6_    71     1.09504   112.93387    57.98688
   41    39 S   HC   _H7_    72     1.09635   110.79932   -62.76498
   42    39 S   HC   _H8_    73     1.09605   110.54216   178.62769
   43    38 S   CMA  _C7_    39     1.36847   122.11505   124.68332
   44    43 S   OM   _O33    40     1.26923   124.99125     2.18104
   45    38 S   CT   _C16    66     1.51991   115.82248   -55.80262
   46    45 S   HC   _H22    67     1.09354   111.45067   -37.48730
   47    45 S   HC   _H23    68     1.09366   112.97717  -155.93268
   48    45 S   HC   _H24    69     1.09425   110.44383    82.97180
   49    43 S   OS   _O34    41     1.41900   111.19073  -177.46758
   50    49 S   CT   _C8_    42     1.43925   118.51244   165.31099
   51    50 S   HC   _H9_    43     1.09706   109.26487    44.40259
   52    50 S   CT   _C9_    44     1.54386   106.92149   159.84254
   53    52 S   HC   _H10    45     1.09691   109.89377   -37.59077
   54    52 S   HC   _H11    46     1.09795   108.43015  -154.22199
   55    50 S   CT   _C14    57     1.54406   110.96995   -77.41864
   56    55 S   HC   _H16    58     1.09790   108.24215   156.76548
   57    55 S   HC   _H17    59     1.09551   110.94490    39.89878
   58    52 S   CT   _C10    47     1.53795   114.10851    85.20252
   59    58 S   HC   _H4_    48     1.09490   110.95750   175.68334
   60    58 S   CT   _C11    49     1.52776   113.79492   -55.28009
   61    60 S   HC   _H12    50     1.09338   112.74000   -36.52282
   62    60 S   HC   _H13    51     1.09647   109.97856  -155.26013
   63    60 S   CT   _C12    52     1.53090   105.53678    86.87588
   64    63 S   HC   _H14    53     1.09622   109.47606   119.19941
   65    63 S   HC   _H15    54     1.09370   112.54862  -122.38381
   66    63 S   CT   _C13    55     1.52791   105.55235     0.79056
   67    66 S   HC   _H5_    56     1.09491   113.23018   144.12155
   68    58 S   NP   _N4_    60     1.51550   106.32824    57.26875
   69    68 S   H    _H18    61     1.02930   109.68719    40.41400
   70    68 S   CT   _C15    62     1.50040   114.86947   159.70456
   71    70 S   HC   _H19    63     1.09216   109.90703    59.00052
   72    70 S   HC   _H20    64     1.09296   107.65033   179.70525
   73    70 S   HC   _H21    65     1.09293   107.67528   -61.77592
  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  12   5   2   1   1  10   3   4   2   1   1
  10  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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    58    66    55    56    57  
   51    52    53    54    58    59    60    63    66    67    55    56    57    68  
   52    53    54    58    66    55    56    57  
   53    54    58    59    60    61    62    63    66    55    56    57    68    69    70  
   54    58    59    60    55    68  
   58    59    60    55    68  
   56    57    68    69    70    58    60    63    64    65    66    67  
   57    68    63    66    67  
   68    63    66    67  
   59    60    61    62    63    64    65    66    67    68    69    70    71    72    73  
   60    61    62    63    66    68    69    70  
   61    62    63    64    65    66    67    68    69    70  
   62    63    64    65    66    68  
   63    64    65    66    68  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   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
   73   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    68   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    55   268.000  1.529
   66    68   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   68    69   434.000  1.010
   68    70   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    58    58.35000  112.70000
   50    55    66    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    58.35000  112.70000
   52    58    68    80.00000  111.20000
   54    52    53    33.00000  107.80000
   58    52    53    37.50000  110.70000
   58    52    54    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    63    58.35000  112.70000
   58    68    66    75.00000  113.01200
   58    68    69    35.00000  109.50000
   58    68    70    75.00000  113.01200
   60    58    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    55    58.35000  112.70000
   63    66    68    80.00000  111.20000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    55    56    37.50000  110.70000
   66    55    57    37.50000  110.70000
   66    68    69    35.00000  109.50000
   66    68    70    75.00000  113.01200
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    66    67    37.50000  110.70000
   57    55    56    33.00000  107.80000
   68    58    59    35.00000  109.50000
   68    58    60    80.00000  111.20000
   68    66    67    35.00000  109.50000
   68    66    55    80.00000  111.20000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   70    68    69    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    58   0.62750  1.0 1.0
   49    50    52    58  -0.30950 -1.0 2.0
   49    50    52    58   0.27300  1.0 3.0
   49    50    55    66   0.62750  1.0 1.0
   49    50    55    66  -0.30950 -1.0 2.0
   49    50    55    66   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    57   0.23400  1.0 3.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.56750  1.0 1.0
   50    52    58    60  -0.07550 -1.0 2.0
   50    52    58    60   0.20000  1.0 3.0
   50    52    58    68   1.36600  1.0 1.0
   50    52    58    68  -0.11450 -1.0 2.0
   50    52    58    68   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    55    66   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   52    50    55    66   0.56750  1.0 1.0
   52    50    55    66  -0.07550 -1.0 2.0
   52    50    55    66   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.15000  1.0 3.0
   52    58    60    63   0.56750  1.0 1.0
   52    58    60    63  -0.07550 -1.0 2.0
   52    58    60    63   0.20000  1.0 3.0
   52    58   -68    66   0.47100  1.0 1.0
   52    58    68    69   0.17350  1.0 3.0
   52    58    68    70   0.47100  1.0 1.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    68   0.19200  1.0 3.0
   54    52    58    59   0.15000  1.0 3.0
   54    52    58    60   0.15000  1.0 3.0
   54    52    58    68   0.19200  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    65   0.15000  1.0 3.0
   58    60   -63    66   0.56750  1.0 1.0
   58    60   -63    66  -0.07550 -1.0 2.0
   58    60   -63    66   0.20000  1.0 3.0
   58    68    70    71   0.15000  1.0 3.0
   58    68    70    72   0.15000  1.0 3.0
   58    68    70    73   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    68    66   0.15000  1.0 3.0
   59    58    68    69   0.13050  1.0 3.0
   59    58    68    70   0.15000  1.0 3.0
   60    58   -68    66   0.47100  1.0 1.0
   60    58    68    69   0.17350  1.0 3.0
   60    58    68    70   0.47100  1.0 1.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    55   0.56750  1.0 1.0
   60    63    66    55  -0.07550 -1.0 2.0
   60    63    66    55   0.20000  1.0 3.0
   60    63   -66    68   1.36600  1.0 1.0
   60    63   -66    68  -0.11450 -1.0 2.0
   60    63   -66    68   0.24250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    55    50   0.56750  1.0 1.0
   63    66    55    50  -0.07550 -1.0 2.0
   63    66    55    50   0.20000  1.0 3.0
   63    66    55    56   0.15000  1.0 3.0
   63    66    55    57   0.15000  1.0 3.0
   63    66   -68    58   0.47100  1.0 1.0
   63    66    68    69   0.17350  1.0 3.0
   63    66    68    70   0.47100  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    55   0.15000  1.0 3.0
   64    63    66    68   0.19200  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    55   0.15000  1.0 3.0
   65    63    66    68   0.19200  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    73   0.15000  1.0 3.0
   67    66    55    50   0.15000  1.0 3.0
   67    66    55    56   0.15000  1.0 3.0
   67    66    55    57   0.15000  1.0 3.0
   67    66    68    58   0.15000  1.0 3.0
   67    66    68    69   0.13050  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    58   0.56750  1.0 1.0
   55    50    52    58  -0.07550 -1.0 2.0
   55    50    52    58   0.20000  1.0 3.0
   55    66   -68    58   0.47100  1.0 1.0
   55    66    68    69   0.17350  1.0 3.0
   55    66    68    70   0.47100  1.0 1.0
   68    58    60    61   0.19200  1.0 3.0
   68    58    60    62   0.19200  1.0 3.0
   68    58   -60    63   1.36600  1.0 1.0
   68    58   -60    63  -0.11450 -1.0 2.0
   68    58   -60    63   0.24250  1.0 3.0
   68    66   -55    50   1.36600  1.0 1.0
   68    66   -55    50  -0.11450 -1.0 2.0
   68    66   -55    50   0.24250  1.0 3.0
   68    66    55    56   0.19200  1.0 3.0
   68    66    55    57   0.19200  1.0 3.0
   69    68    70    71   0.13050  1.0 3.0
   69    68    70    72   0.13050  1.0 3.0
   69    68    70    73   0.13050  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
END
