* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    128    194     369
    1     0 S   NP   _N1_     1    28.91948    93.63629   -23.24210
    2     1 S   H    _HN1     2     1.02830    22.43668   159.28599
    3     1 S   H    _H1_     3     1.02776   101.30856   -90.97630
    4     1 S   H    _H2_     4     1.02954    89.61191    17.71611
    5     1 S   CT   _CA1     5     1.50155   131.60867   135.03408
    6     5 S   HC   _HA1     6     1.09569   105.17630    68.86562
    7     5 S   CO3  _C1_     7     1.53831   112.47061   -51.27905
    8     7 S   O2Z  _O11     8     1.26371   114.98565   -39.16054
    9     7 S   O2Z  _O12     9     1.26233   114.98005   139.87263
   10     5 S   CT   _CB1    10     1.53091   107.40076  -173.11040
   11    10 S   HC   HB11    11     1.09823   109.42649   -48.74233
   12    10 S   HC   HB12    12     1.09822   110.37330    67.89902
   13    10 S   CT   _CG1    13     1.52973   112.64873  -169.76988
   14    13 S   HC   HG11    14     1.09567   110.38997   -64.23416
   15    13 S   HC   HG12    15     1.09655   109.97158    54.96692
   16    13 S   C    _CD1    16     1.51828   112.36272   175.38595
   17    16 S   O    _OE1    17     1.22721   123.29817     0.09487
   18    16 S   N    _N2_    18     1.38635   111.58990  -179.97202
   19    18 S   H    _HN2    19     1.01593   118.95910     2.12955
   20    18 S   CT1  _CA2    20     1.46200   123.48010  -179.22141
   21    20 S   HC   _HA2    21     1.09737   109.32986    -9.25234
   22    20 S   C    _C2_    22     1.53401   108.35024  -124.73542
   23    22 S   O    _O2_    23     1.23029   122.40602  -148.06652
   24    20 S   CT   _CB2    32     1.53525   111.55451   112.84926
   25    24 S   HC   HB21    33     1.09429   109.85738    56.84238
   26    24 S   HC   HB22    34     1.09488   109.81399   175.27486
   27    22 S   N    _N3_    24     1.38373   113.45537    39.43981
   28    27 S   H    _HN3    25     1.01643   119.46455    -3.62180
   29    24 S   S    _SG2    35     1.83046   111.17635   -65.96716
   30    27 S   CT   _CA3    26     1.45282   123.14513   176.98949
   31    30 S   HC   HA31    27     1.09551   107.53563   -63.73213
   32    30 S   HC   HA32    28     1.09558   107.93809    52.67676
   33    29 S   CT   _C15    36     1.87523   102.34861   154.01549
   34    30 S   CO3  _C3_    29     1.52935   114.12800   174.66366
   35    34 S   O2Z  _O31    30     1.26366   116.05543    -0.39366
   36    34 S   O2Z  _O32    31     1.26428   114.41261   179.65965
   37    33 S   C5BC _C7_    37     1.51660   113.55376   -67.22552
   38    33 S   CM   _C8_    45     1.55247   106.57477   167.50898
   39    37 S   C5BC _C4_    38     1.43327   126.59676   172.34532
   40    39 S   HA   _H19    39     1.08047   127.39389     0.25179
   41    38 S   CT   _C14    46     1.53209   109.16433  -108.34137
   42    41 S   HC   _H27    47     1.09679   111.42972   134.31097
   43    38 S   CMA  _C10    58     1.36237   129.77878    66.72046
   44    43 S   OM   _O16    59     1.26388   130.60287  -175.15944
   45    39 S   C5A  _C5_    40     1.37336   107.27756  -179.78060
   46    45 S   HA   _H20    41     1.08006   133.87325   179.86438
   47    41 S   CT   _C12    48     1.52575   103.61669    17.75389
   48    47 S   HC   _H23    49     1.09482   112.94858  -156.51404
   49    47 S   HC   _H24    50     1.09698   110.40235    83.21643
   50    41 S   CT   _C18    54     1.52998   112.41050  -103.21905
   51    50 S   HC   _H34    55     1.09430   112.32590    55.89799
   52    50 S   HC   _H35    56     1.09492   111.16924   -64.65513
   53    50 S   HC   _H36    57     1.09537   110.39428   176.15330
   54    43 S   CM   _C9_    60     1.46261   120.52074     2.18158
   55    54 S   HC   _H22    61     1.09054   113.83459   -83.20696
   56    45 S   OA   _O17    42     1.35360   110.30370    -0.82020
   57    33 S   CT   _C13    51     1.55212   108.97404    57.56654
   58    57 S   HC   _H25    52     1.09329   114.69557   -38.40298
   59    57 S   HC   _H26    53     1.09714   111.80399  -157.97026
   60    54 S   CM   _C11    62     1.34980   127.69423    98.81828
   61    37 S   C5A  _C6_    43     1.38544   129.52257    -8.83713
   62    61 S   HA   _H21    44     1.07926   133.60853    -0.83509
   63    60 S   CT   _C16    63     1.50491   120.41599   179.23998
   64    63 S   HC   _H28    64     1.09496   110.30471   120.52678
   65    63 S   HC   _H29    65     1.09516   112.30514     0.56993
   66    63 S   HC   _H30    66     1.09478   110.27005  -119.59421
   67    60 S   CT   _C17    67     1.50347   124.83664    -0.38816
   68    67 S   HC   _H31    68     1.09495   109.97757   114.03829
   69    67 S   HC   _H32    69     1.09474   110.24354  -126.80640
   70    67 S   HC   _H33    70     1.09349   113.26286    -6.63448
  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  11   5   4   3
  20   2   1   1  14  19   7   4  14   9   9   3   4   2   9   5
   4   4   2   1   1  10   3   2   3   1   1   8   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    61    38    41    47    57    58    59    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    45    56    61    62    38    41    42    47    48    49    57    58    59    50    43    44    54  
   35    36  
   36  
    0  
   39    40    45    46    56    61    62    38    41    47    57    58    59    43  
   41    42    47    48    49    57    58    59    50    51    52    53    43    44    54    55    60    39    61  
   40    45    46    56    61    62    57  
   45    46    56    61  
   42    47    48    49    57    58    59    50    51    52    53    43    44    54  
   47    48    49    57    50    51    52    53    43  
   44    54    55    60    63    67    47    50    57  
   54    55    60  
   46    56    61    62  
   56    61  
   48    49    57    58    59    50    51    52    53  
   49    57    58    59    50  
   57    58    59    50  
   51    52    53    57  
   52    53  
   53  
    0  
   55    60    63    64    65    66    67    68    69    70  
   60    63    67  
   61    62  
   58    59    61  
   59  
    0  
   63    64    65    66    67    68    69    70  
   62  
    0  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    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   0.282500   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  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   285.000  1.502
   33    38   317.000  1.510
   33    57   268.000  1.529
   37    39   469.000  1.424
   37    61   546.000  1.367
   39    40   367.000  1.080
   39    45   546.000  1.367
   45    46   367.000  1.080
   45    56   340.000  1.360
   56    61   340.000  1.360
   61    62   367.000  1.080
   38    41   317.000  1.510
   38    43   465.000  1.376
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   43    44   745.000  1.250
   43    54   465.000  1.376
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    63   317.000  1.510
   60    67   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    57    75.00000  111.63000
   33    37    39    60.00000  130.00000
   33    37    61    60.00000  130.00000
   33    38    41    65.00000  117.92700
   33    38    43    70.00000  124.00000
   33    57    47    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   37    39    40    35.00000  127.50000
   37    39    45    70.00000  107.30000
   37    61    56    70.00000  110.60000
   37    61    62    35.00000  132.10000
   39    45    46    35.00000  132.10000
   39    45    56    70.00000  110.60000
   45    39    40    35.00000  125.70000
   45    56    61    70.00000  106.50000
   56    45    46    35.00000  113.40000
   56    61    62    35.00000  113.40000
   61    37    39    70.00000  107.30000
   38    33    37    70.00000  112.99600
   38    41    42    35.00000  109.50000
   38    41    47    70.00000  112.02700
   38    41    50    70.00000  112.02700
   38    43    44    65.00000  137.10300
   38    43    54    70.00000  123.01800
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    57    58.35000  112.70000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    53    37.50000  110.70000
   47    41    42    37.50000  110.70000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   49    47    48    33.00000  107.80000
   57    33    37    70.00000  112.17500
   57    33    38    70.00000  112.02700
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   59    57    58    33.00000  107.80000
   50    41    42    37.50000  110.70000
   50    41    47    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   43    38    41    70.00000  124.00000
   43    54    55    40.00000  120.50800
   43    54    60    70.00000  117.34000
   54    43    44    65.00000  137.10300
   54    60    63    70.00000  124.00000
   54    60    67    70.00000  124.00000
   60    54    55    35.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    63    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    39  -0.16000  1.0 1.0
   29    33    37    39  -0.03200 -1.0 2.0
   29    33    37    39   0.04500  1.0 3.0
   29    33    37    61  -0.16000  1.0 1.0
   29    33    37    61  -0.03200 -1.0 2.0
   29    33    37    61   0.04500  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    57    47   0.44750  1.0 1.0
   29    33    57    47  -0.17800 -1.0 2.0
   29    33    57    47   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    45   3.62500 -1.0 2.0
   33    37    61    56   3.62500 -1.0 2.0
   33    37    61    62   3.62500 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38   -41    47   0.46850  1.0 1.0
   33    38   -41    47   0.08550 -1.0 2.0
   33    38   -41    47   0.09800  1.0 3.0
   33    38    41    50   0.46850  1.0 1.0
   33    38    41    50   0.08550 -1.0 2.0
   33    38    41    50   0.09800  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    54   7.00000 -1.0 2.0
   37    33    38    41   0.09700  1.0 1.0
   37    33    38    41   0.15600 -1.0 2.0
   37    33    38    41  -0.50800  1.0 3.0
   37    33    38    43   1.44450  1.0 1.0
   37    33    38    43   0.06600 -1.0 2.0
   37    33    38    43   0.29250  1.0 3.0
   37    33    57    47  -0.03700  1.0 1.0
   37    33    57    47   0.37200 -1.0 2.0
   37    33    57    47  -0.47300  1.0 3.0
   37    33    57    58   0.43200  1.0 3.0
   37    33    57    59   0.43200  1.0 3.0
   37    39    45    46   3.62500 -1.0 2.0
   37    39   -45    56   3.62500 -1.0 2.0
   39    37   -61    56   3.62500 -1.0 2.0
   39    37    61    62   3.62500 -1.0 2.0
   39    45   -56    61   3.62500 -1.0 2.0
   40    39    45    46   3.62500 -1.0 2.0
   40    39    45    56   3.62500 -1.0 2.0
   45    56   -61    37   3.62500 -1.0 2.0
   45    56    61    62   3.62500 -1.0 2.0
   46    45    56    61   3.62500 -1.0 2.0
   61    37    39    40   3.62500 -1.0 2.0
   61    37   -39    45   3.62500 -1.0 2.0
   38    33    37    39   0.18050 -1.0 2.0
   38    33    37    61   0.18050 -1.0 2.0
   38    33   -57    47   0.34400  1.0 1.0
   38    33   -57    47   0.09450 -1.0 2.0
   38    33   -57    47   0.11100  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    41    47    48   0.15000  1.0 3.0
   38    41    47    49   0.15000  1.0 3.0
   38    41   -47    57   0.34400  1.0 1.0
   38    41   -47    57   0.09450 -1.0 2.0
   38    41   -47    57   0.11100  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    52   0.15000  1.0 3.0
   38    41    50    53   0.15000  1.0 3.0
   38    43    54    55   7.00000 -1.0 2.0
   38    43    54    60   7.00000 -1.0 2.0
   41    38    43    44   7.00000 -1.0 2.0
   41    38    43    54   7.00000 -1.0 2.0
   41    47   -57    33   0.56750  1.0 1.0
   41    47   -57    33  -0.07550 -1.0 2.0
   41    47   -57    33   0.20000  1.0 3.0
   41    47    57    58   0.15000  1.0 3.0
   41    47    57    59   0.15000  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    57   0.15000  1.0 3.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    52   0.15000  1.0 3.0
   42    41    50    53   0.15000  1.0 3.0
   47    41    50    51   0.15000  1.0 3.0
   47    41    50    52   0.15000  1.0 3.0
   47    41    50    53   0.15000  1.0 3.0
   48    47    57    33   0.15000  1.0 3.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    59   0.15000  1.0 3.0
   49    47    57    33   0.15000  1.0 3.0
   49    47    57    58   0.15000  1.0 3.0
   49    47    57    59   0.15000  1.0 3.0
   57    33    37    39   0.04150 -1.0 2.0
   57    33    37    61   0.04150 -1.0 2.0
   57    33   -38    41   0.46850  1.0 1.0
   57    33   -38    41   0.08550 -1.0 2.0
   57    33   -38    41   0.09800  1.0 3.0
   57    33    38    43   0.09850  1.0 1.0
   57    33    38    43   0.15250 -1.0 2.0
   57    33    38    43  -0.50650  1.0 3.0
   50    41    47    48   0.15000  1.0 3.0
   50    41    47    49   0.15000  1.0 3.0
   50    41    47    57   0.56750  1.0 1.0
   50    41    47    57  -0.07550 -1.0 2.0
   50    41    47    57   0.20000  1.0 3.0
   43    38    41    42   0.00000  1.0 1.0
   43    38    41    47   0.09850  1.0 1.0
   43    38    41    47   0.15250 -1.0 2.0
   43    38    41    47  -0.50650  1.0 3.0
   43    38    41    50   0.09850  1.0 1.0
   43    38    41    50   0.15250 -1.0 2.0
   43    38    41    50  -0.50650  1.0 3.0
   43    54    60    63   7.00000 -1.0 2.0
   43    54    60    67   7.00000 -1.0 2.0
   44    43    54    55   7.00000 -1.0 2.0
   44    43    54    60   7.00000 -1.0 2.0
   54    60    63    64   0.00000  1.0 1.0
   54    60    63    65   0.00000  1.0 1.0
   54    60    63    66   0.00000  1.0 1.0
   54    60    67    68   0.00000  1.0 1.0
   54    60    67    69   0.00000  1.0 1.0
   54    60    67    70   0.00000  1.0 1.0
   55    54    60    63   7.00000 -1.0 2.0
   55    54    60    67   7.00000 -1.0 2.0
   63    60    67    68   0.34800  1.0 3.0
   63    60    67    69   0.34800  1.0 3.0
   63    60    67    70   0.34800  1.0 3.0
   67    60    63    64   0.34800  1.0 3.0
   67    60    63    65   0.34800  1.0 3.0
   67    60    63    66   0.34800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   39    61    37    33   4.00000 -1.0 2.0
   45    40    39    37   1.10000 -1.0 2.0
   56    46    45    39   1.10000 -1.0 2.0
   56    62    61    37   1.10000 -1.0 2.0
   33    41    38    43   1.10000 -1.0 2.0
   54    44    43    38   1.10000 -1.0 2.0
   43    55    54    60  15.00000 -1.0 2.0
   63    67    60    54  15.00000 -1.0 2.0
END
