* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    225     427
    1     0 S   NP   _N1_     1    28.85597    97.19484   -24.39979
    2     1 S   H    _HN1     2     1.02801   116.82364   -99.18514
    3     1 S   H    _H1_     3     1.02945    66.33392     0.26541
    4     1 S   H    _H2_     4     1.02825    40.97706   174.10545
    5     1 S   CT   _CA1     5     1.50138   129.12363    97.99944
    6     5 S   HC   _HA1     6     1.09575   105.13124   102.20290
    7     5 S   CO3  _C1_     7     1.53749   112.47040   -17.96599
    8     7 S   O2Z  _O11     8     1.26377   115.00318   -42.40545
    9     7 S   O2Z  _O12     9     1.26233   114.93705   136.50214
   10     5 S   CT   _CB1    10     1.53043   107.38769  -139.85736
   11    10 S   HC   HB11    11     1.09848   109.27155   -49.22401
   12    10 S   HC   HB12    12     1.09809   110.50119    67.34330
   13    10 S   CT   _CG1    13     1.53053   112.68940  -170.14206
   14    13 S   HC   HG11    14     1.09557   110.80630   -69.05479
   15    13 S   HC   HG12    15     1.09665   109.64045    50.20659
   16    13 S   C    _CD1    16     1.51827   111.73380   170.72235
   17    16 S   O    _OE1    17     1.22778   123.06281    17.01193
   18    16 S   N    _N2_    18     1.38644   112.00469  -162.88467
   19    18 S   H    _HN2    19     1.01570   119.01928     0.42244
   20    18 S   CT1  _CA2    20     1.46227   123.31750   175.38578
   21    20 S   HC   _HA2    21     1.09740   109.24719     9.52200
   22    20 S   C    _C2_    22     1.53757   108.85466  -105.95468
   23    22 S   O    _O2_    23     1.23090   122.23181  -148.69157
   24    20 S   CT   _CB2    32     1.53318   111.77374   131.54758
   25    24 S   HC   HB21    33     1.09590   110.18930    56.63466
   26    24 S   HC   HB22    34     1.09454   109.92765   175.55860
   27    22 S   N    _N3_    24     1.38306   113.92355    38.78049
   28    27 S   H    _HN3    25     1.01522   119.62859    -2.96095
   29    24 S   S    _SG2    35     1.82696   111.64059   -64.16575
   30    27 S   CT   _CA3    26     1.45283   123.36786   177.34849
   31    30 S   HC   HA31    27     1.09545   107.48960   -65.64851
   32    30 S   HC   HA32    28     1.09553   108.04133    50.83934
   33    29 S   CT   _C12    36     1.84187    99.37195  -179.28976
   34    33 S   HC   _H4_    37     1.09731   105.04350   -45.36254
   35    30 S   CO3  _C3_    29     1.52999   113.98348   172.85304
   36    35 S   O2Z  _O31    30     1.26396   116.07093    -0.58081
   37    35 S   O2Z  _O32    31     1.26421   114.42586   179.48490
   38    33 S   CM   _C13    38     1.51967   109.32296  -161.47357
   39    33 S   CT   _C11    54     1.54459   112.25345    69.55695
   40    39 S   HC   _H15    55     1.09659   107.29695  -109.54365
   41    39 S   HC   _H16    56     1.09539   110.94393     4.85821
   42    38 S   CT   _C15    39     1.52725   118.84673   -93.54141
   43    42 S   HC   _H5_    40     1.10124   104.90787  -137.15834
   44    38 S   CMA  _C14    72     1.35964   121.50496    93.29816
   45    44 S   OM   _O33    73     1.26009   133.17913    -3.13862
   46    44 S   HC   _H17    74     1.09232   112.54054   177.09175
   47    42 S   CT   _C5_    41     1.57742   116.38144   -19.56596
   48    42 S   CO4  _C16    69     1.52766   110.90351   111.36669
   49    48 S   O    _O34    70     1.22635   125.58952   -24.12797
   50    48 S   HC   _H18    71     1.10439   114.58005   157.20879
   51    47 S   CT   _C6_    42     1.55340   108.33340  -147.53594
   52    51 S   HC   _H9_    43     1.09830   109.79042    47.57570
   53    51 S   HC   _H10    44     1.09706   110.40110   -68.98147
   54    47 S   CT   _C4_    65     1.55002   110.24450    94.63845
   55    54 S   HC   _H6_    66     1.09070   112.78815   -55.06747
   56    54 S   HC   _H7_    67     1.08764   113.02379  -176.89020
   57    54 S   HC   _H8_    68     1.09647   111.21147    64.87339
   58    51 S   CT   _C7_    45     1.52375   113.51816   168.12260
   59    58 S   HC   _H11    46     1.09443   111.00764    64.76749
   60    58 S   HC   _H12    47     1.09665   108.94105  -178.59765
   61    58 S   CT   _C8_    48     1.52265   110.73519   -58.79974
   62    61 S   HC   _H13    49     1.09756   109.05128  -178.24699
   63    61 S   HC   _H14    50     1.09877   108.08266   -63.49976
   64    61 S   CT   _C9_    51     1.54831   113.74052    58.17949
   65    47 S   CT   _C10    52     1.57001   107.37635   -29.22953
   66    65 S   HC   _H3_    53     1.10291   105.03130   -48.13505
   67    64 S   CT   _C17    57     1.54198   109.53723    77.34118
   68    67 S   HC   _H19    58     1.09418   112.02121   179.70725
   69    67 S   HC   _H20    59     1.09745   110.46256    61.18920
   70    67 S   HC   _H21    60     1.08884   113.33412   -57.41100
   71    64 S   CT   _C18    61     1.55283   106.75938  -168.39704
   72    71 S   HC   _H22    62     1.09457   111.92218  -173.50726
   73    71 S   HC   _H23    63     1.09579   111.40596    65.60160
   74    71 S   HC   _H24    64     1.09662   111.03372   -53.91286
  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
  15   7   2   1   1  15  13   5   4  19   8   4   1   1  19   5
   1   1  15   7   6   7   3   2   1   9   5   4  13   5   4  10
   9   2   7   3   2   1   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    42    65    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    64    65    66    39    40    41    48    44    45    46  
   38    42    65    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    51    65    39    40    41    54    48    49    50    44    45    46  
   40    41    67    71    54    44    42    47    51    61    64    65    66  
   41    47    64    65    66  
   47    64    65    66  
   43    47    51    52    53    58    64    65    66    54    55    56    57    48    49    50    44    45    46  
   47    51    65    54    48    49    50    44  
   45    46    47    48  
   46  
    0  
   51    52    53    58    59    60    61    64    65    66    67    71    54    55    56    57    48    49    50  
   49    50    51    54    65  
   50  
    0  
   52    53    58    59    60    61    62    63    64    65    66    54    55    56    57  
   53    58    59    60    61    65    54  
   58    59    60    61    65    54  
   55    56    57    58    64    65    66  
   56    57    65  
   57    65  
   65  
   59    60    61    62    63    64    65    67    71  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67    68    69    70    71    72    73    74  
   63    64    65    67    71  
   64    65    67    71  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    70    71    72    73    74  
   67    71  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   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   0.107500   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   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    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    42   317.000  1.510
   38    44   465.000  1.376
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    48   317.000  1.522
   47    51   268.000  1.529
   47    65   268.000  1.529
   47    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    67   268.000  1.529
   64    71   268.000  1.529
   65    66   340.000  1.090
   65    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   44    45   745.000  1.250
   44    46   335.000  1.111
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    42    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    47    70.00000  112.02700
   38    42    48    70.00000  109.06800
   38    44    45    65.00000  137.10300
   38    44    46    45.00000  105.30000
   42    47    51    58.35000  112.70000
   42    47    65    58.35000  112.70000
   42    47    54    58.35000  112.70000
   42    48    49    80.00000  120.40000
   42    48    50    35.00000  115.00000
   47    42    43    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    58    58.35000  112.70000
   47    65    64    58.35000  112.70000
   47    65    66    37.50000  110.70000
   47    65    39    58.35000  112.70000
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    67    58.35000  112.70000
   61    64    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    39    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    37.50000  110.70000
   65    47    51    58.35000  112.70000
   65    39    40    37.50000  110.70000
   65    39    41    37.50000  110.70000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    65    66    37.50000  110.70000
   41    39    40    33.00000  107.80000
   67    64    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    64    65    58.35000  112.70000
   71    64    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    47    51    58.35000  112.70000
   54    47    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    47    63.00000  111.10000
   50    48    49    35.00000  123.00000
   44    38    42    70.00000  124.00000
   46    44    45    50.00000  124.16400
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    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    47   0.46850  1.0 1.0
   33    38    42    47   0.08550 -1.0 2.0
   33    38    42    47   0.09800  1.0 3.0
   33    38    42    48   0.17250  1.0 1.0
   33    38    42    48  -0.04100 -1.0 2.0
   33    38    42    48  -0.33850  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    65   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    65   0.34400  1.0 1.0
   38    33    39    65   0.09450 -1.0 2.0
   38    33    39    65   0.11100  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    42    47    51   0.34400  1.0 1.0
   38    42    47    51   0.09450 -1.0 2.0
   38    42    47    51   0.11100  1.0 3.0
   38    42   -47    65   0.34400  1.0 1.0
   38    42   -47    65   0.09450 -1.0 2.0
   38    42   -47    65   0.11100  1.0 3.0
   38    42    47    54   0.34400  1.0 1.0
   38    42    47    54   0.09450 -1.0 2.0
   38    42    47    54   0.11100  1.0 3.0
   38    42    48    49   0.30150 -1.0 2.0
   38    42    48    50   0.81450  1.0 1.0
   38    42    48    50  -0.29600 -1.0 2.0
   38    42    48    50   0.60450  1.0 3.0
   42    38    44    45   7.00000 -1.0 2.0
   42    38    44    46   7.00000 -1.0 2.0
   42    47    51    52   0.15000  1.0 3.0
   42    47    51    53   0.15000  1.0 3.0
   42    47    51    58   0.56750  1.0 1.0
   42    47    51    58  -0.07550 -1.0 2.0
   42    47    51    58   0.20000  1.0 3.0
   42    47    65    64   0.56750  1.0 1.0
   42    47    65    64  -0.07550 -1.0 2.0
   42    47    65    64   0.20000  1.0 3.0
   42    47    65    66   0.15000  1.0 3.0
   42    47    65    39   0.56750  1.0 1.0
   42    47    65    39  -0.07550 -1.0 2.0
   42    47    65    39   0.20000  1.0 3.0
   42    47    54    55   0.15000  1.0 3.0
   42    47    54    56   0.15000  1.0 3.0
   42    47    54    57   0.15000  1.0 3.0
   43    42    47    51   0.15000  1.0 3.0
   43    42    47    65   0.15000  1.0 3.0
   43    42    47    54   0.15000  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   47    42    48    49   0.30150 -1.0 2.0
   47    42    48    50   0.74550  1.0 1.0
   47    42    48    50  -0.00500 -1.0 2.0
   47    51    58    59   0.15000  1.0 3.0
   47    51    58    60   0.15000  1.0 3.0
   47    51    58    61   0.56750  1.0 1.0
   47    51    58    61  -0.07550 -1.0 2.0
   47    51    58    61   0.20000  1.0 3.0
   47    65   -39    33   0.56750  1.0 1.0
   47    65   -39    33  -0.07550 -1.0 2.0
   47    65   -39    33   0.20000  1.0 3.0
   47    65    39    40   0.15000  1.0 3.0
   47    65    39    41   0.15000  1.0 3.0
   51    47    65    64   0.56750  1.0 1.0
   51    47    65    64  -0.07550 -1.0 2.0
   51    47    65    64   0.20000  1.0 3.0
   51    47    65    66   0.15000  1.0 3.0
   51    47    65    39   0.56750  1.0 1.0
   51    47    65    39  -0.07550 -1.0 2.0
   51    47    65    39   0.20000  1.0 3.0
   51    47    54    55   0.15000  1.0 3.0
   51    47    54    56   0.15000  1.0 3.0
   51    47    54    57   0.15000  1.0 3.0
   51    58    61    62   0.15000  1.0 3.0
   51    58    61    63   0.15000  1.0 3.0
   51    58   -61    64   0.56750  1.0 1.0
   51    58   -61    64  -0.07550 -1.0 2.0
   51    58   -61    64   0.20000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    61   0.15000  1.0 3.0
   58    61    64    65   0.56750  1.0 1.0
   58    61    64    65  -0.07550 -1.0 2.0
   58    61    64    65   0.20000  1.0 3.0
   58    61    64    67   0.56750  1.0 1.0
   58    61    64    67  -0.07550 -1.0 2.0
   58    61    64    67   0.20000  1.0 3.0
   58    61    64    71   0.56750  1.0 1.0
   58    61    64    71  -0.07550 -1.0 2.0
   58    61    64    71   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64   -65    47   0.56750  1.0 1.0
   61    64   -65    47  -0.07550 -1.0 2.0
   61    64   -65    47   0.20000  1.0 3.0
   61    64    65    66   0.15000  1.0 3.0
   61    64    65    39   0.56750  1.0 1.0
   61    64    65    39  -0.07550 -1.0 2.0
   61    64    65    39   0.20000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.15000  1.0 3.0
   61    64    71    72   0.15000  1.0 3.0
   61    64    71    73   0.15000  1.0 3.0
   61    64    71    74   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    71   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   63    61    64    71   0.15000  1.0 3.0
   64    65    39    33   0.56750  1.0 1.0
   64    65    39    33  -0.07550 -1.0 2.0
   64    65    39    33   0.20000  1.0 3.0
   64    65    39    40   0.15000  1.0 3.0
   64    65    39    41   0.15000  1.0 3.0
   65    47    51    52   0.15000  1.0 3.0
   65    47    51    53   0.15000  1.0 3.0
   65    47   -51    58   0.56750  1.0 1.0
   65    47   -51    58  -0.07550 -1.0 2.0
   65    47   -51    58   0.20000  1.0 3.0
   65    47    54    55   0.15000  1.0 3.0
   65    47    54    56   0.15000  1.0 3.0
   65    47    54    57   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74   0.15000  1.0 3.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    41   0.15000  1.0 3.0
   39    33   -38    42   0.46850  1.0 1.0
   39    33   -38    42   0.08550 -1.0 2.0
   39    33   -38    42   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   67    64    65    47   0.56750  1.0 1.0
   67    64    65    47  -0.07550 -1.0 2.0
   67    64    65    47   0.20000  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    39   0.56750  1.0 1.0
   67    64    65    39  -0.07550 -1.0 2.0
   67    64    65    39   0.20000  1.0 3.0
   67    64    71    72   0.15000  1.0 3.0
   67    64    71    73   0.15000  1.0 3.0
   67    64    71    74   0.15000  1.0 3.0
   71    64    65    47   0.56750  1.0 1.0
   71    64    65    47  -0.07550 -1.0 2.0
   71    64    65    47   0.20000  1.0 3.0
   71    64    65    66   0.15000  1.0 3.0
   71    64    65    39   0.56750  1.0 1.0
   71    64    65    39  -0.07550 -1.0 2.0
   71    64    65    39   0.20000  1.0 3.0
   71    64    67    68   0.15000  1.0 3.0
   71    64    67    69   0.15000  1.0 3.0
   71    64    67    70   0.15000  1.0 3.0
   54    47    51    52   0.15000  1.0 3.0
   54    47    51    53   0.15000  1.0 3.0
   54    47    51    58   0.56750  1.0 1.0
   54    47    51    58  -0.07550 -1.0 2.0
   54    47    51    58   0.20000  1.0 3.0
   54    47    65    64   0.56750  1.0 1.0
   54    47    65    64  -0.07550 -1.0 2.0
   54    47    65    64   0.20000  1.0 3.0
   54    47    65    66   0.15000  1.0 3.0
   54    47    65    39   0.56750  1.0 1.0
   54    47    65    39  -0.07550 -1.0 2.0
   54    47    65    39   0.20000  1.0 3.0
   48    42    47    51  -0.95700  1.0 1.0
   48    42    47    51  -0.18200 -1.0 2.0
   48    42    47    51   0.29450  1.0 3.0
   48    42    47    65  -0.95700  1.0 1.0
   48    42    47    65  -0.18200 -1.0 2.0
   48    42    47    65   0.29450  1.0 3.0
   48    42    47    54  -0.95700  1.0 1.0
   48    42    47    54  -0.18200 -1.0 2.0
   48    42    47    54   0.29450  1.0 3.0
   44    38    42    43   0.00000  1.0 1.0
   44    38    42    47   0.09850  1.0 1.0
   44    38    42    47   0.15250 -1.0 2.0
   44    38    42    47  -0.50650  1.0 3.0
   44    38    42    48  -0.51250  1.0 1.0
   44    38    42    48  -0.88800 -1.0 2.0
   44    38    42    48   0.08850  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    44   1.10000 -1.0 2.0
   42    50    48    49  10.50000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
