* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    222     413
    1     0 S   NP   _N1_     1    28.77373    97.09036   -24.03420
    2     1 S   H    _HN1     2     1.02946    66.01818     8.83754
    3     1 S   H    _H1_     3     1.02826    42.21044   174.65595
    4     1 S   H    _H2_     4     1.02794   111.75680   -92.35151
    5     1 S   CT   _CA1     5     1.50131   134.31940   104.51638
    6     5 S   HC   _HA1     6     1.09575   105.14858   101.83516
    7     5 S   CO3  _C1_     7     1.53758   112.45797   -18.34694
    8     7 S   O2Z  _O11     8     1.26375   115.00464   -42.72380
    9     7 S   O2Z  _O12     9     1.26234   114.93510   136.22906
   10     5 S   CT   _CB1    10     1.53053   107.39631  -140.22323
   11    10 S   HC   HB11    11     1.09844   109.28782   -49.45187
   12    10 S   HC   HB12    12     1.09810   110.49763    67.12863
   13    10 S   CT   _CG1    13     1.53031   112.65989  -170.38317
   14    13 S   HC   HG11    14     1.09566   110.75799   -68.22247
   15    13 S   HC   HG12    15     1.09671   109.67319    51.02734
   16    13 S   C    _CD1    16     1.51823   111.90199   171.50511
   17    16 S   O    _OE1    17     1.22767   123.13468    14.10883
   18    16 S   N    _N2_    18     1.38630   111.86479  -165.83409
   19    18 S   H    _HN2    19     1.01586   119.09203     0.51205
   20    18 S   CT1  _CA2    20     1.46270   123.40033   176.10675
   21    20 S   HC   _HA2    21     1.09747   109.16103     9.09049
   22    20 S   C    _C2_    22     1.53794   109.38933  -106.36362
   23    22 S   O    _O2_    23     1.23096   122.14163  -154.06640
   24    20 S   CT   _CB2    32     1.53520   111.48505   130.97592
   25    24 S   HC   HB21    33     1.09447   109.22274    55.66302
   26    24 S   HC   HB22    34     1.09331   109.71149   174.60344
   27    22 S   N    _N3_    24     1.38280   114.09020    33.50294
   28    27 S   H    _HN3    25     1.01515   119.57649    -3.70449
   29    24 S   S    _SG2    35     1.83192   110.81917   -65.15177
   30    27 S   CT   _CA3    26     1.45265   123.34881   177.12274
   31    30 S   HC   HA31    27     1.09547   107.56222   -63.84490
   32    30 S   HC   HA32    28     1.09555   107.95867    52.62800
   33    29 S   CT   _C8_    36     1.87808   102.71114  -178.64347
   34    30 S   CO3  _C3_    29     1.52982   113.99319   174.59517
   35    34 S   O2Z  _O31    30     1.26393   116.07582     0.04846
   36    34 S   O2Z  _O32    31     1.26423   114.42183  -179.90721
   37    33 S   CM   _C16    37     1.52646   109.78809   -51.19999
   38    33 S   CT   _C9_    57     1.57152   108.58837  -174.85585
   39    38 S   HC   _H5_    58     1.09853   104.67916   164.19557
   40    37 S   CMA  _C17    38     1.35670   111.87346   108.44133
   41    40 S   OM   _O36    39     1.26463   128.19526  -177.48028
   42    38 S   OH   _O34    59     1.43395   110.50306    52.68703
   43    42 S   HO   _H17    60     0.97154   108.02975   167.38730
   44    37 S   CT   _C18    69     1.53360   122.77740   -67.59616
   45    44 S   OM   _O37    70     1.32549   107.73719   -94.68799
   46    44 S   HC   _H18    71     1.10278   105.85903   138.21777
   47    44 S   HC   _H19    72     1.10038   106.28008    33.54552
   48    40 S   OS   _O35    40     1.40795   110.55209     1.00852
   49    33 S   CT   _C7_    41     1.55585   110.95586    57.80735
   50    49 S   HC   _H4_    42     1.09586   111.60209    10.85141
   51    49 S   CT   _C6_    43     1.54375   117.81174   135.72003
   52    51 S   HC   _H10    44     1.09859   109.39057   156.20953
   53    51 S   HC   _H11    45     1.09598   109.71464    42.99335
   54    51 S   CT   _C5_    46     1.54777   113.93653   -81.23608
   55    54 S   HC   _H3_    47     1.09700   108.34997   158.65771
   56    54 S   CT   _C11    48     1.53512   110.52449    37.57386
   57    56 S   HC   _H6_    49     1.09681   107.15612   -65.91777
   58    54 S   CT   _C4_    65     1.53650   109.73271   -85.56908
   59    58 S   HC   _H7_    66     1.09483   111.67763    65.59172
   60    58 S   HC   _H8_    67     1.09546   110.74158   -54.73085
   61    58 S   HC   _H9_    68     1.09428   111.25577  -173.57544
   62    56 S   CM   _C12    50     1.50574   119.27095   179.44680
   63    62 S   HC   _H12    51     1.08118   123.82107    35.31275
   64    62 S   CM   _C13    52     1.33625   112.92528  -153.14195
   65    64 S   HC   _H13    53     1.07515   128.96294  -174.20979
   66    64 S   CO4  _C14    54     1.47924   105.48140     7.40902
   67    66 S   O    _O33    55     1.22101   121.98835  -172.06538
   68    56 S   CT   _C10    56     1.54792   114.32982    56.45854
   69    68 S   CT   _C15    61     1.55864   112.83547    51.93969
   70    69 S   HC   _H14    62     1.09456   111.95126   -70.79925
   71    69 S   HC   _H15    63     1.09685   110.58939   169.43791
   72    69 S   HC   _H16    64     1.09606   112.65706    50.09842
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  22   2   1   1  14  21   7   9   3   6   1   5   2   1   1   6
   9   4  12   5   4  13   8  16   7   5   2   1   1   7   4   5
   3   6   2   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    49    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    49    50    51    68    38    39    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    48    49    50    51    52    53    54    56    66    68    38    39    42    43    69    44    45    46    47  
   35    36  
   36  
    0  
   40    41    48    49    50    51    68    38    39    42    44    45    46    47  
   39    42    43    69    70    71    72    44    40    48    49    50    51    54    56    57    62    64    66    67    68  
   42    43    69    49    56    66    68  
   41    48    49    50    51    44    45    46    47  
   48    49    44  
   43    69    49    56    66    68  
   68  
   45    46    47    48    49  
   46    47  
   47  
    0  
   49    50    51    52    53    54  
   50    51    52    53    54    55    56    68    58  
   51    52    53    54  
   52    53    54    55    56    57    62    68    58    59    60    61  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    62    63    64    66    68    69    58    59    60    61  
   56    57    62    68    58    59    60    61  
   57    62    63    64    65    66    67    68    69    70    71    72    58    59    60    61  
   62    63    64    66    68    69    58  
   59    60    61    62    68  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66    68  
   65    66    67    68    69  
   66    67    68  
   67    68    69    70    71    72  
   68    69  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   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   222.000  1.810
   33    37   317.000  1.510
   33    49   268.000  1.529
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    44   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   317.000  1.510
   56    68   268.000  1.529
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   320.000  1.462
   66    67   570.000  1.229
   66    68   317.000  1.522
   68    38   268.000  1.529
   68    69   268.000  1.529
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    43   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   44    45   570.000  1.307
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    49    48    50.00000  109.50000
   33    49    50    37.50000  110.70000
   33    49    51    58.35000  112.70000
   33    38    68    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    48    80.00000  120.01400
   37    44    45    85.00000  110.90400
   37    44    46    35.00000  109.50000
   37    44    47    35.00000  109.50000
   40    48    49    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   49    33    37    70.00000  112.02700
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    58    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    70.00000  112.02700
   54    56    68    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    63    35.00000  117.00000
   56    62    64    70.00000  124.00000
   56    68    66    63.00000  111.10000
   56    68    38    58.35000  112.70000
   56    68    69    58.35000  112.70000
   62    56    57    35.00000  109.50000
   62    64    65    35.00000  120.00000
   62    64    66    65.00000  118.96000
   64    62    63    35.00000  120.00000
   64    66    67    80.00000  123.72100
   64    66    68    65.00000  118.62400
   66    64    65    40.00000  117.72500
   66    68    38    63.00000  111.10000
   66    68    69    63.00000  111.10000
   68    56    57    37.50000  110.70000
   68    56    62    70.00000  112.02700
   68    66    67    80.00000  120.40000
   68    38    39    37.50000  110.70000
   68    38    42    50.00000  109.50000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   38    33    37    70.00000  112.02700
   38    33    49    58.35000  112.70000
   38    42    43    55.00000  108.50000
   42    38    39    35.00000  109.50000
   69    68    38    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   44    37    40    70.00000  124.00000
   46    44    45    45.00000  125.66300
   47    44    45    45.00000  125.66300
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    49    48   0.56750  1.0 1.0
   29    33    49    48  -0.07550 -1.0 2.0
   29    33    49    48   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.44750  1.0 1.0
   29    33    49    51  -0.17800 -1.0 2.0
   29    33    49    51   0.20200  1.0 3.0
   29    33    38    68   0.44750  1.0 1.0
   29    33    38    68  -0.17800 -1.0 2.0
   29    33    38    68   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    48   7.00000 -1.0 2.0
   33    37    44    45   0.09700  1.0 1.0
   33    37    44    45   0.15600 -1.0 2.0
   33    37    44    45  -0.50800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    47   0.34800  1.0 3.0
   33    49    51    52   0.15000  1.0 3.0
   33    49    51    53   0.15000  1.0 3.0
   33    49    51    54   0.56750  1.0 1.0
   33    49    51    54  -0.07550 -1.0 2.0
   33    49    51    54   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   37    33   -49    48   0.61850  1.0 1.0
   37    33   -49    48  -0.22750 -1.0 2.0
   37    33   -49    48   0.15300  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    51   0.34400  1.0 1.0
   37    33    49    51   0.09450 -1.0 2.0
   37    33    49    51   0.11100  1.0 3.0
   37    33    38    68   0.34400  1.0 1.0
   37    33    38    68   0.09450 -1.0 2.0
   37    33    38    68   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    42   1.05650  1.0 1.0
   37    33    38    42   0.15600 -1.0 2.0
   37    33    38    42   0.53150  1.0 3.0
   37    40   -48    49  -2.26850  1.0 1.0
   37    40   -48    49   3.39050 -1.0 2.0
   40    37    44    45   0.39000  1.0 1.0
   40    37    44    45  -0.05800 -1.0 2.0
   40    37    44    45  -0.55150  1.0 3.0
   40    37    44    46   0.00000  1.0 1.0
   40    37    44    47   0.00000  1.0 1.0
   40    48   -49    33  -0.46850  1.0 1.0
   40    48   -49    33   0.09300 -1.0 2.0
   40    48   -49    33  -0.12850  1.0 3.0
   40    48    49    50   0.08050  1.0 3.0
   40    48    49    51  -0.46850  1.0 1.0
   40    48    49    51   0.09300 -1.0 2.0
   40    48    49    51  -0.12850  1.0 3.0
   41    40    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33    37    44   0.46850  1.0 1.0
   49    33    37    44   0.08550 -1.0 2.0
   49    33    37    44   0.09800  1.0 3.0
   49    33    38    68   0.56750  1.0 1.0
   49    33    38    68  -0.07550 -1.0 2.0
   49    33    38    68   0.20000  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    42   0.86500  1.0 1.0
   49    33    38    42  -0.17500 -1.0 2.0
   49    33    38    42   0.20800  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.56750  1.0 1.0
   49    51    54    56  -0.07550 -1.0 2.0
   49    51    54    56   0.20000  1.0 3.0
   49    51    54    58   0.56750  1.0 1.0
   49    51    54    58  -0.07550 -1.0 2.0
   49    51    54    58   0.20000  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    54   0.15000  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    62   0.34400  1.0 1.0
   51    54    56    62   0.09450 -1.0 2.0
   51    54    56    62   0.11100  1.0 3.0
   51    54    56    68   0.56750  1.0 1.0
   51    54    56    68  -0.07550 -1.0 2.0
   51    54    56    68   0.20000  1.0 3.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.15000  1.0 3.0
   51    54    58    61   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    58   0.15000  1.0 3.0
   54    56    62    63   0.00000  1.0 1.0
   54    56    62    64   0.09850  1.0 1.0
   54    56    62    64   0.15250 -1.0 2.0
   54    56    62    64  -0.50650  1.0 3.0
   54    56    68    66  -0.95700  1.0 1.0
   54    56    68    66  -0.18200 -1.0 2.0
   54    56    68    66   0.29450  1.0 3.0
   54    56    68    38   0.56750  1.0 1.0
   54    56    68    38  -0.07550 -1.0 2.0
   54    56    68    38   0.20000  1.0 3.0
   54    56    68    69   0.56750  1.0 1.0
   54    56    68    69  -0.07550 -1.0 2.0
   54    56    68    69   0.20000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    62   0.15000  1.0 3.0
   55    54    56    68   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    61   0.15000  1.0 3.0
   56    62    64    65   7.00000 -1.0 2.0
   56    62   -64    66   7.00000 -1.0 2.0
   56    68    38    33   0.56750  1.0 1.0
   56    68    38    33  -0.07550 -1.0 2.0
   56    68    38    33   0.20000  1.0 3.0
   56    68    38    39   0.15000  1.0 3.0
   56    68    38    42   0.86500  1.0 1.0
   56    68    38    42  -0.17500 -1.0 2.0
   56    68    38    42   0.20800  1.0 3.0
   56    68    69    70   0.15000  1.0 3.0
   56    68    69    71   0.15000  1.0 3.0
   56    68    69    72   0.15000  1.0 3.0
   57    56    62    63   0.33100  1.0 3.0
   57    56    62    64   0.00000  1.0 1.0
   57    56    68    66  -0.11250  1.0 3.0
   57    56    68    38   0.15000  1.0 3.0
   57    56    68    69   0.15000  1.0 3.0
   62    56   -68    66  -0.98800  1.0 1.0
   62    56   -68    66   0.48800 -1.0 2.0
   62    56   -68    66   0.76800  1.0 3.0
   62    56    68    38   0.34400  1.0 1.0
   62    56    68    38   0.09450 -1.0 2.0
   62    56    68    38   0.11100  1.0 3.0
   62    56    68    69   0.34400  1.0 1.0
   62    56    68    69   0.09450 -1.0 2.0
   62    56    68    69   0.11100  1.0 3.0
   62    64    66    67   1.00000 -1.0 2.0
   62    64   -66    68  -0.33500  1.0 1.0
   62    64   -66    68   1.06600 -1.0 2.0
   62    64   -66    68  -0.14000  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66   -68    56   0.65300  1.0 1.0
   64    66   -68    56  -0.03850 -1.0 2.0
   64    66   -68    56   0.33900  1.0 3.0
   64    66    68    38   0.65300  1.0 1.0
   64    66    68    38  -0.03850 -1.0 2.0
   64    66    68    38   0.33900  1.0 3.0
   64    66    68    69   0.65300  1.0 1.0
   64    66    68    69  -0.03850 -1.0 2.0
   64    66    68    69   0.33900  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.04550  1.0 1.0
   65    64    66    68   0.83000 -1.0 2.0
   65    64    66    68  -0.04000  1.0 3.0
   66    68    38    33  -0.95700  1.0 1.0
   66    68    38    33  -0.18200 -1.0 2.0
   66    68    38    33   0.29450  1.0 3.0
   66    68    38    39  -0.11250  1.0 3.0
   66    68    38    42  -0.09450  1.0 1.0
   66    68    38    42  -1.12950 -1.0 2.0
   66    68    38    42   0.54000  1.0 3.0
   66    68    69    70  -0.11250  1.0 3.0
   66    68    69    71  -0.11250  1.0 3.0
   66    68    69    72  -0.11250  1.0 3.0
   67    66    68    56   0.30150 -1.0 2.0
   67    66    68    38   0.30150 -1.0 2.0
   67    66    68    69   0.30150 -1.0 2.0
   68    56    62    63   0.00000  1.0 1.0
   68    56   -62    64   0.09850  1.0 1.0
   68    56   -62    64   0.15250 -1.0 2.0
   68    56   -62    64  -0.50650  1.0 3.0
   68    38    42    43  -0.11600  1.0 1.0
   68    38    42    43  -0.09450 -1.0 2.0
   68    38    42    43   0.21250  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    49    48   0.62750  1.0 1.0
   38    33    49    48  -0.30950 -1.0 2.0
   38    33    49    48   0.27300  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51   0.56750  1.0 1.0
   38    33    49    51  -0.07550 -1.0 2.0
   38    33    49    51   0.20000  1.0 3.0
   38    68    69    70   0.15000  1.0 3.0
   38    68    69    71   0.15000  1.0 3.0
   38    68    69    72   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   69    68    38    33   0.56750  1.0 1.0
   69    68    38    33  -0.07550 -1.0 2.0
   69    68    38    33   0.20000  1.0 3.0
   69    68    38    39   0.15000  1.0 3.0
   69    68    38    42   0.86500  1.0 1.0
   69    68    38    42  -0.17500 -1.0 2.0
   69    68    38    42   0.20800  1.0 3.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62   0.34400  1.0 1.0
   58    54    56    62   0.09450 -1.0 2.0
   58    54    56    62   0.11100  1.0 3.0
   58    54    56    68   0.56750  1.0 1.0
   58    54    56    68  -0.07550 -1.0 2.0
   58    54    56    68   0.20000  1.0 3.0
   44    37    40    41   7.00000 -1.0 2.0
   44    37    40    48   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    40   1.10000 -1.0 2.0
   41    48    40    37   1.10000 -1.0 2.0
   56    63    62    64   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   64    68    66    67  10.50000 -1.0 2.0
END
