* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    222     420
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02050   105.17137   -30.94152
    3     1 S   H    _H1_     3     1.02113    66.23422    73.17896
    4     1 S   H    _H2_     4     1.02095    46.45944  -132.41844
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01782
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.80850    98.55846   161.82874
   34    33 S   HC   _H18    37     1.09398   109.14058    40.90033
   35    33 S   HC   _H19    38     1.09471   109.31085   158.84223
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   39    33 S   CM   _C15    39     1.48718   110.12532   -80.00344
   40    39 S   CM   _C16    40     1.33847   129.88991   120.38271
   41    40 S   OS   _O33    41     1.39746   114.38285  -177.14090
   42    40 S   OH   _O34    73     1.37046   126.31515     1.05888
   43    42 S   HO   _H17    74     0.96612   110.59995  -179.94766
   44    41 S   CT   _C11    42     1.44335   102.23219   -19.10706
   45    44 S   HC   _H4_    43     1.10155   106.63260   -85.99235
   46    44 S   CT   _C10    44     1.53107   111.66282   154.77460
   47    46 S   HC   _H3_    45     1.10061   108.28223   -69.08133
   48    39 S   CT   _C12    54     1.49679   122.49922   -54.23024
   49    48 S   HC   _H5_    55     1.09910   106.98794    80.30805
   50    46 S   CM   _C6_    46     1.52604   115.58984   169.70031
   51    50 S   CM   _C5_    47     1.35249   128.37841    43.07258
   52    50 S   CT   _C7_    60     1.51718   108.52295  -139.45971
   53    52 S   HC   _H9_    61     1.09563   110.11649   106.74751
   54    52 S   HC   _H10    62     1.09470   112.86914  -130.95751
   55    51 S   CT   _C14    48     1.51746   125.81978     3.92994
   56    55 S   HC   _H15    49     1.09765   108.07762    77.48123
   57    55 S   HC   _H16    50     1.09927   108.43288  -169.17416
   58    51 S   CT   _C4_    56     1.51329   121.92941  -179.69226
   59    58 S   HC   _H6_    57     1.08359   108.78151    89.99889
   60    58 S   HC   _H7_    58     1.08326   108.80965   -30.15377
   61    58 S   HC   _H8_    59     1.08392   108.82305  -149.78341
   62    52 S   CT   _C8_    63     1.52000   104.30446   -11.84700
   63    62 S   HC   _H11    64     1.09490   112.21390   156.15293
   64    62 S   HC   _H12    65     1.09874   110.52714   -85.10879
   65    55 S   CT   _C13    51     1.52988   118.83733   -48.42102
   66    65 S   HC   _H13    52     1.09686   107.37410  -170.65942
   67    65 S   HC   _H14    53     1.09755   110.23401   -55.31469
   68    46 S   CT   _C9_    66     1.55360   114.01968    49.74030
   69    68 S   CT   _C18    67     1.53294   115.62485    39.63418
   70    69 S   HC   _H20    68     1.08739   109.55453   -64.09096
   71    69 S   HC   _H21    69     1.08629   109.52175   175.88710
   72    69 S   HC   _H22    70     1.08666   109.52408    55.90436
   73    68 S   OH   _O35    71     1.42489   109.76167   -83.62702
   74    73 S   HO   _H23    72     0.96984   106.55889  -171.26682
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  16   7  21   8  10
   4  18  15  10   5   4   9   5   4   4   2   1   1   9   4   3
   2   1   1   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    65    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    55    65    66    67    48    49    42    43  
   41    44    45    46    65    48    49    42    43  
   44    45    46    47    50    65    48    49    68    42    43  
   43    44    48  
    0  
   45    46    47    50    51    55    65    66    67    48    49    52    62    68    69    73  
   46    47    50    65    48    49    68  
   47    50    51    55    65    48    49    58    52    53    54    62    63    64    68    69    70    71    72    73    74  
   50    51    48    52    62    68    69    73  
   49    68    50    51    55    56    57    65    66    67  
   55    65    66    67  
   51    55    56    57    65    58    59    60    61    52    53    54    62    63    64    68    69    73  
   55    56    57    65    66    67    58    59    60    61    52    53    54    62    68  
   53    54    62    63    64    68    69    73    55    58  
   54    62    63    64    68  
   62    63    64    68  
   56    57    65    66    67    58    59    60    61  
   57    65    66    67    58  
   65    66    67    58  
   59    60    61    65  
   60    61  
   61  
    0  
   63    64    68    69    70    71    72    73    74  
   64    68    69    73  
   68    69    73  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   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
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    48   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    68   268.000  1.529
   50    51   549.000  1.340
   50    52   317.000  1.510
   51    55   317.000  1.510
   51    58   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    48   268.000  1.529
   48    49   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   268.000  1.529
   68    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    48    44    70.00000  112.02700
   39    48    65    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    68    58.35000  112.70000
   44    48    65    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    52    65.00000  117.92700
   46    68    62    58.35000  112.70000
   46    68    69    58.35000  112.70000
   46    68    73    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    51    55    70.00000  124.00000
   50    51    58    70.00000  124.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    62    70.00000  112.02700
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    65    70.00000  112.02700
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    61    35.00000  109.50000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    48    58.35000  112.70000
   57    55    56    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    57    37.50000  110.70000
   65    48    49    37.50000  110.70000
   67    65    66    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    65    66    37.50000  110.70000
   48    65    67    37.50000  110.70000
   58    51    55    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    50    51    70.00000  124.00000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    68    58.35000  112.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   62    68    69    58.35000  112.70000
   62    68    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   68    46    47    37.50000  110.70000
   68    46    50    70.00000  112.02700
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   68    73    74    55.00000  108.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    69    50.00000  109.50000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    44   0.46850  1.0 1.0
   33    39    48    44   0.08550 -1.0 2.0
   33    39    48    44   0.09800  1.0 3.0
   33    39    48    65   0.46850  1.0 1.0
   33    39    48    65   0.08550 -1.0 2.0
   33    39    48    65   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -48    44   0.09850  1.0 1.0
   40    39   -48    44   0.15250 -1.0 2.0
   40    39   -48    44  -0.50650  1.0 3.0
   40    39    48    65   0.09850  1.0 1.0
   40    39    48    65   0.15250 -1.0 2.0
   40    39    48    65  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    48  -0.46850  1.0 1.0
   40    41   -44    48   0.09300 -1.0 2.0
   40    41   -44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.61850  1.0 1.0
   41    44    46    50  -0.22750 -1.0 2.0
   41    44    46    50   0.15300  1.0 3.0
   41    44    46    68   0.62750  1.0 1.0
   41    44    46    68  -0.30950 -1.0 2.0
   41    44    46    68   0.27300  1.0 3.0
   41    44   -48    39   0.61850  1.0 1.0
   41    44   -48    39  -0.22750 -1.0 2.0
   41    44   -48    39   0.15300  1.0 3.0
   41    44    48    65   0.62750  1.0 1.0
   41    44    48    65  -0.30950 -1.0 2.0
   41    44    48    65   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    52   0.46850  1.0 1.0
   44    46    50    52   0.08550 -1.0 2.0
   44    46    50    52   0.09800  1.0 3.0
   44    46    68    62   0.56750  1.0 1.0
   44    46    68    62  -0.07550 -1.0 2.0
   44    46    68    62   0.20000  1.0 3.0
   44    46    68    69   0.56750  1.0 1.0
   44    46    68    69  -0.07550 -1.0 2.0
   44    46    68    69   0.20000  1.0 3.0
   44    46    68    73   0.86500  1.0 1.0
   44    46    68    73  -0.17500 -1.0 2.0
   44    46    68    73   0.20800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    68   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    65   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    65   0.56750  1.0 1.0
   46    44    48    65  -0.07550 -1.0 2.0
   46    44    48    65   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    55   7.00000 -1.0 2.0
   46    50    51    58   7.00000 -1.0 2.0
   46    50    52    53   0.34800  1.0 3.0
   46    50    52    54   0.34800  1.0 3.0
   46    50   -52    62   0.46850  1.0 1.0
   46    50   -52    62   0.08550 -1.0 2.0
   46    50   -52    62   0.09800  1.0 3.0
   46    68    69    70   0.15000  1.0 3.0
   46    68    69    71   0.15000  1.0 3.0
   46    68    69    72   0.15000  1.0 3.0
   46    68    73    74  -0.11600  1.0 1.0
   46    68    73    74  -0.09450 -1.0 2.0
   46    68    73    74   0.21250  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.34800  1.0 3.0
   47    46    68    62   0.15000  1.0 3.0
   47    46    68    69   0.15000  1.0 3.0
   47    46    68    73   0.23400  1.0 3.0
   50    46   -68    62   0.34400  1.0 1.0
   50    46   -68    62   0.09450 -1.0 2.0
   50    46   -68    62   0.11100  1.0 3.0
   50    46    68    69   0.34400  1.0 1.0
   50    46    68    69   0.09450 -1.0 2.0
   50    46    68    69   0.11100  1.0 3.0
   50    46    68    73   1.05650  1.0 1.0
   50    46    68    73   0.15600 -1.0 2.0
   50    46    68    73   0.53150  1.0 3.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    57   0.00000  1.0 1.0
   50    51    55    65   0.09850  1.0 1.0
   50    51    55    65   0.15250 -1.0 2.0
   50    51    55    65  -0.50650  1.0 3.0
   50    51    58    59   0.00000  1.0 1.0
   50    51    58    60   0.00000  1.0 1.0
   50    51    58    61   0.00000  1.0 1.0
   50    52    62    63   0.15000  1.0 3.0
   50    52    62    64   0.15000  1.0 3.0
   50    52   -62    68   0.34400  1.0 1.0
   50    52   -62    68   0.09450 -1.0 2.0
   50    52   -62    68   0.11100  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    62   0.09850  1.0 1.0
   51    50    52    62   0.15250 -1.0 2.0
   51    50    52    62  -0.50650  1.0 3.0
   51    55    65    66   0.15000  1.0 3.0
   51    55    65    67   0.15000  1.0 3.0
   51    55    65    48   0.34400  1.0 1.0
   51    55    65    48   0.09450 -1.0 2.0
   51    55    65    48   0.11100  1.0 3.0
   55    51    58    59   0.34800  1.0 3.0
   55    51    58    60   0.34800  1.0 3.0
   55    51    58    61   0.34800  1.0 3.0
   55    65    48    39   0.34400  1.0 1.0
   55    65    48    39   0.09450 -1.0 2.0
   55    65    48    39   0.11100  1.0 3.0
   55    65    48    44   0.56750  1.0 1.0
   55    65    48    44  -0.07550 -1.0 2.0
   55    65    48    44   0.20000  1.0 3.0
   55    65    48    49   0.15000  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    48   0.15000  1.0 3.0
   57    55    65    66   0.15000  1.0 3.0
   57    55    65    67   0.15000  1.0 3.0
   57    55    65    48   0.15000  1.0 3.0
   66    65    48    39   0.15000  1.0 3.0
   66    65    48    44   0.15000  1.0 3.0
   66    65    48    49   0.15000  1.0 3.0
   67    65    48    39   0.15000  1.0 3.0
   67    65    48    44   0.15000  1.0 3.0
   67    65    48    49   0.15000  1.0 3.0
   48    39   -40    41   7.00000 -1.0 2.0
   48    39    40    42   7.00000 -1.0 2.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    68   0.56750  1.0 1.0
   48    44    46    68  -0.07550 -1.0 2.0
   48    44    46    68   0.20000  1.0 3.0
   58    51    55    56   0.34800  1.0 3.0
   58    51    55    57   0.34800  1.0 3.0
   58    51    55    65   0.46850  1.0 1.0
   58    51    55    65   0.08550 -1.0 2.0
   58    51    55    65   0.09800  1.0 3.0
   52    50    51    55   7.00000 -1.0 2.0
   52    50    51    58   7.00000 -1.0 2.0
   52    62   -68    46   0.56750  1.0 1.0
   52    62   -68    46  -0.07550 -1.0 2.0
   52    62   -68    46   0.20000  1.0 3.0
   52    62    68    69   0.56750  1.0 1.0
   52    62    68    69  -0.07550 -1.0 2.0
   52    62    68    69   0.20000  1.0 3.0
   52    62    68    73   0.86500  1.0 1.0
   52    62    68    73  -0.17500 -1.0 2.0
   52    62    68    73   0.20800  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    68   0.15000  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    64   0.15000  1.0 3.0
   54    52    62    68   0.15000  1.0 3.0
   62    68    69    70   0.15000  1.0 3.0
   62    68    69    71   0.15000  1.0 3.0
   62    68    69    72   0.15000  1.0 3.0
   62    68    73    74  -0.11600  1.0 1.0
   62    68    73    74  -0.09450 -1.0 2.0
   62    68    73    74   0.21250  1.0 3.0
   63    62    68    46   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    73   0.23400  1.0 3.0
   64    62    68    46   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    73   0.23400  1.0 3.0
   68    46    50    51   0.09850  1.0 1.0
   68    46    50    51   0.15250 -1.0 2.0
   68    46    50    51  -0.50650  1.0 3.0
   68    46   -50    52   0.46850  1.0 1.0
   68    46   -50    52   0.08550 -1.0 2.0
   68    46   -50    52   0.09800  1.0 3.0
   69    68    73    74  -0.11600  1.0 1.0
   69    68    73    74  -0.09450 -1.0 2.0
   69    68    73    74   0.21250  1.0 3.0
   73    68    69    70   0.23400  1.0 3.0
   73    68    69    71   0.23400  1.0 3.0
   73    68    69    72   0.23400  1.0 3.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   46    52    50    51   1.10000 -1.0 2.0
   55    58    51    50   1.10000 -1.0 2.0
END
