* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     428
    1     0 S   NP   _N1_     1    28.76531    95.73771   -23.14310
    2     1 S   H    _HN1     2     1.02827    32.86792   153.64308
    3     1 S   H    _H1_     3     1.02789   102.56346  -102.77035
    4     1 S   H    _H2_     4     1.02950    78.60517     3.72857
    5     1 S   CT   _CA1     5     1.50129   138.00661   111.65469
    6     5 S   HC   _HA1     6     1.09575   105.18282    82.18084
    7     5 S   CO3  _C1_     7     1.53785   112.34696   -38.01365
    8     7 S   O2Z  _O11     8     1.26376   115.01792   -44.87500
    9     7 S   O2Z  _O12     9     1.26235   114.93289   134.07324
   10     5 S   CT   _CB1    10     1.53055   107.38064  -159.91707
   11    10 S   HC   HB11    11     1.09837   109.34810   -49.77789
   12    10 S   HC   HB12    12     1.09812   110.47311    66.81029
   13    10 S   CT   _CG1    13     1.52998   112.62614  -170.74212
   14    13 S   HC   HG11    14     1.09584   110.63388   -65.72084
   15    13 S   HC   HG12    15     1.09667   109.80366    53.53368
   16    13 S   C    _CD1    16     1.51810   112.10714   173.94485
   17    16 S   O    _OE1    17     1.22748   123.22659     7.05761
   18    16 S   N    _N2_    18     1.38630   111.74201  -172.87685
   19    18 S   H    _HN2    19     1.01579   119.07314     1.28725
   20    18 S   CT1  _CA2    20     1.46249   123.41226   178.26246
   21    20 S   HC   _HA2    21     1.09747   109.22545     6.20223
   22    20 S   C    _C2_    22     1.53653   109.08998  -109.34171
   23    22 S   O    _O2_    23     1.23090   122.21464  -150.63207
   24    20 S   CT   _CB2    32     1.53578   111.57385   128.00321
   25    24 S   HC   HB21    33     1.09441   109.22260    57.29424
   26    24 S   HC   HB22    34     1.09320   109.61491   175.93659
   27    22 S   N    _N3_    24     1.38320   113.92121    36.95739
   28    27 S   H    _HN3    25     1.01554   119.57927    -3.49654
   29    24 S   S    _SG2    35     1.83056   110.79478   -63.27447
   30    27 S   CT   _CA3    26     1.45273   123.20954   177.06435
   31    30 S   HC   HA31    27     1.09550   107.52760   -64.21534
   32    30 S   HC   HA32    28     1.09558   107.96251    52.21184
   33    29 S   CT   _C11    36     1.90562   103.47302  -171.38806
   34    30 S   CO3  _C3_    29     1.52955   114.11118   174.21650
   35    34 S   O2Z  _O31    30     1.26373   116.09853    -0.05234
   36    34 S   O2Z  _O32    31     1.26430   114.40393  -179.98022
   37    33 S   C3T  _C12    37     1.53642   101.63174    75.67293
   38    37 S   HC   _H6_    38     1.07711   118.94331   -40.91154
   39    33 S   CT   _C17    71     1.58927   111.46069   -39.07803
   40    39 S   OM   _O37    72     1.32526   110.43872   -62.99981
   41    39 S   HC   _H15    73     1.10102   106.16593   168.55163
   42    39 S   HC   _H16    74     1.10254   105.95069    65.11291
   43    37 S   C3T  _C13    39     1.47953   111.63427   108.19717
   44    43 S   HC   _H7_    40     1.07760   122.02652  -146.14805
   45    43 S   CT   _C14    41     1.50591   111.97151     1.37643
   46    37 S   O3T  _O36    70     1.43707   115.67648   172.97976
   47    45 S   CT   _C15    42     1.55031   111.62222  -117.24691
   48    47 S   HC   _H8_    43     1.09575   112.45740   -64.15167
   49    33 S   CT   _C10    61     1.66140   114.66367  -174.26619
   50    45 S   OH   _O35    68     1.43080   106.23667   126.62151
   51    50 S   HO   _H14    69     0.97241   108.20062    52.17776
   52    47 S   CO4  _C16    44     1.50883   109.67456    58.32732
   53    52 S   O    _O33    45     1.21975   126.50330   -90.05328
   54    49 S   CT   _C18    62     1.56723   109.38856   149.96919
   55    54 S   HC   _H17    63     1.09411   112.38731    55.05477
   56    54 S   HC   _H18    64     1.09364   111.92616   -67.44886
   57    54 S   HC   _H19    65     1.09733   111.30332   174.62466
   58    52 S   OS   _O34    46     1.37299   108.11171    88.67689
   59    58 S   CT   _C8_    47     1.43878   108.29892     2.01839
   60    59 S   HC   _H4_    48     1.09548   107.25598   147.45843
   61    47 S   CT   _C7_    49     1.53790   115.64171   167.85795
   62    61 S   HC   _H3_    50     1.10426   106.72885  -178.82364
   63    59 S   CT   _C9_    59     1.54335   111.50033   -90.80807
   64    63 S   HC   _H5_    60     1.09525   105.31977   177.91926
   65    61 S   CM   _C5_    51     1.51447   122.58914    61.97940
   66    63 S   OH   _O38    66     1.42288   110.23102   -70.81632
   67    66 S   HO   _H20    67     0.97147   108.36905   -51.29791
   68    65 S   CM   _C6_    52     1.34276   123.42476    26.70025
   69    68 S   HC   _H12    53     1.08549   121.39846   176.83770
   70    68 S   HC   _H13    54     1.08323   122.17251    -1.14944
   71    65 S   CT   _C4_    55     1.50745   116.93939  -160.59243
   72    71 S   HC   _H9_    56     1.09516   110.16205   -50.45102
   73    71 S   HC   _H10    57     1.09272   111.37159    70.06662
   74    71 S   HC   _H11    58     1.09562   112.15929  -169.76888
  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  13   5   4   3
  21   2   1   1  14   6   9   3   2   1  12   5  20   3  16   9
  15   5   1   8   3   7   3   2   1   8  10   6  12   4   4   2
   7   1   1   6   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    63    49    54    46    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    59    63    64    49    54    55    56    57    66    50    46    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    63    49    54    50    46    39    40    41    42  
   43    44    45    49    46    39  
   40    41    42    43    45    46    49    54    63  
   41    42    49  
   42    49  
   49  
   44    45    47    48    52    61    63    49    54    50    51    46  
   45    47    49    50    46  
   47    48    52    53    58    59    61    62    65    63    64    49    54    55    56    57    66    50    51    46  
   47    49    50  
   48    52    53    58    59    60    61    62    65    68    71    63    49    54    50    51  
   52    53    58    59    61    62    65    49    50  
   54    55    56    57    66    67    50    51    52    58    59    60    61    63    64  
   51    52    54    61    63  
    0  
   53    58    59    60    61    62    65    63  
   58    59    61  
   55    56    57    66    59    63    64  
   56    57    63  
   57    63  
   63  
   59    60    61    62    65    63    64    66  
   60    61    62    65    68    71    63    64    66    67  
   61    62    65    63    64    66  
   62    65    68    69    70    71    72    73    74    63    64    66  
   65    68    71    63  
   64    66    67    65  
   66    67  
   68    69    70    71    72    73    74  
   67  
    0  
   69    70    71    72    73    74  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   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    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   275.000  1.510
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.088
   37    43   260.000  1.509
   37    46   335.000  1.432
   43    44   340.000  1.088
   43    45   275.000  1.510
   43    46   335.000  1.432
   45    47   268.000  1.529
   45    49   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    52   317.000  1.522
   47    61   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    65   317.000  1.510
   65    68   549.000  1.340
   65    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   63    64   340.000  1.090
   63    49   268.000  1.529
   63    66   320.000  1.410
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   66    67   553.000  0.945
   50    51   553.000  0.945
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  115.04500
   33    37    43    60.00000  120.94000
   33    37    46    80.00000  116.47100
   33    49    45    58.35000  112.70000
   33    49    63    58.35000  112.70000
   33    49    54    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  117.20000
   37    43    45    60.00000  120.94000
   37    43    46    15.00000   60.43100
   37    46    43    15.00000   59.14900
   43    37    38    37.50000  117.20000
   43    45    47    70.00000  112.37300
   43    45    49    70.00000  112.37300
   43    45    50    50.00000  109.50000
   45    43    44    40.00000  115.04500
   45    47    48    37.50000  110.70000
   45    47    52    63.00000  111.10000
   45    47    61    58.35000  112.70000
   45    49    63    58.35000  112.70000
   45    49    54    58.35000  112.70000
   45    50    51    55.00000  108.50000
   47    52    53    80.00000  120.40000
   47    52    58    81.00000  111.40000
   47    61    59    58.35000  112.70000
   47    61    62    37.50000  110.70000
   47    61    65    70.00000  112.02700
   52    47    48    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    63    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    65    70.00000  112.02700
   59    63    64    37.50000  110.70000
   59    63    49    58.35000  112.70000
   59    63    66    50.00000  109.50000
   61    47    48    37.50000  110.70000
   61    47    52    63.00000  111.10000
   61    59    60    37.50000  110.70000
   61    65    68    70.00000  124.00000
   61    65    71    65.00000  117.92700
   65    61    62    35.00000  109.50000
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    65    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   63    49    54    58.35000  112.70000
   63    66    67    55.00000  108.50000
   49    33    37    70.00000  112.37300
   49    45    47    58.35000  112.70000
   49    63    64    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    49    50.00000  109.50000
   50    45    47    50.00000  109.50000
   50    45    49    50.00000  109.50000
   46    37    38    50.00000  114.27700
   46    37    43    15.00000   60.43100
   46    43    44    50.00000  114.27700
   46    43    45    80.00000  116.47100
   39    33    37    70.00000  112.37300
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    63   0.44750  1.0 1.0
   29    33    49    63  -0.17800 -1.0 2.0
   29    33    49    63   0.20200  1.0 3.0
   29    33    49    54   0.44750  1.0 1.0
   29    33    49    54  -0.17800 -1.0 2.0
   29    33    49    54   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37   -43    45   0.56750  1.0 1.0
   33    37   -43    45  -0.07550 -1.0 2.0
   33    37   -43    45   0.20000  1.0 3.0
   33    37   -43    46   0.02550  1.0 1.0
   33    37   -43    46  -0.02600 -1.0 2.0
   33    37   -43    46   1.20400  1.0 3.0
   33    37   -46    43   0.06250  1.0 1.0
   33    37   -46    43  -0.01100 -1.0 2.0
   33    37   -46    43   0.28050  1.0 3.0
   33    49    54    55   0.15000  1.0 3.0
   33    49    54    56   0.15000  1.0 3.0
   33    49    54    57   0.15000  1.0 3.0
   37    33   -49    45   0.47050  1.0 1.0
   37    33   -49    45   0.03900 -1.0 2.0
   37    33   -49    45   0.20100  1.0 3.0
   37    33    49    63   0.47050  1.0 1.0
   37    33    49    63   0.03900 -1.0 2.0
   37    33    49    63   0.20100  1.0 3.0
   37    33    49    54   0.47050  1.0 1.0
   37    33    49    54   0.03900 -1.0 2.0
   37    33    49    54   0.20100  1.0 3.0
   37    33    39    40  -0.26800  1.0 1.0
   37    33    39    40   0.69150 -1.0 2.0
   37    33    39    40  -0.48750  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    47   0.07850  1.0 1.0
   37    43    45    47  -0.03950 -1.0 2.0
   37    43    45    47   0.67350  1.0 3.0
   37    43   -45    49   0.07850  1.0 1.0
   37    43   -45    49  -0.03950 -1.0 2.0
   37    43   -45    49   0.67350  1.0 3.0
   37    43    45    50   0.86500  1.0 1.0
   37    43    45    50  -0.17500 -1.0 2.0
   37    43    45    50   0.20800  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37   -43    46   0.23400  1.0 3.0
   38    37   -46    43   0.36800  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    52  -0.95700  1.0 1.0
   43    45    47    52  -0.18200 -1.0 2.0
   43    45    47    52   0.29450  1.0 3.0
   43    45    47    61   0.47050  1.0 1.0
   43    45    47    61   0.03900 -1.0 2.0
   43    45    47    61   0.20100  1.0 3.0
   43    45   -49    33   0.47050  1.0 1.0
   43    45   -49    33   0.03900 -1.0 2.0
   43    45   -49    33   0.20100  1.0 3.0
   43    45    49    63   0.47050  1.0 1.0
   43    45    49    63   0.03900 -1.0 2.0
   43    45    49    63   0.20100  1.0 3.0
   43    45    49    54   0.47050  1.0 1.0
   43    45    49    54   0.03900 -1.0 2.0
   43    45    49    54   0.20100  1.0 3.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43   -46    37   0.36800  1.0 3.0
   45    43   -46    37   0.06250  1.0 1.0
   45    43   -46    37  -0.01100 -1.0 2.0
   45    43   -46    37   0.28050  1.0 3.0
   45    47    52    53   0.30150 -1.0 2.0
   45    47    52    58   0.36750  1.0 3.0
   45    47    61    59   0.56750  1.0 1.0
   45    47    61    59  -0.07550 -1.0 2.0
   45    47    61    59   0.20000  1.0 3.0
   45    47    61    62   0.15000  1.0 3.0
   45    47    61    65   0.34400  1.0 1.0
   45    47    61    65   0.09450 -1.0 2.0
   45    47    61    65   0.11100  1.0 3.0
   45    49    54    55   0.15000  1.0 3.0
   45    49    54    56   0.15000  1.0 3.0
   45    49    54    57   0.15000  1.0 3.0
   47    45    49    33   0.56750  1.0 1.0
   47    45    49    33  -0.07550 -1.0 2.0
   47    45    49    33   0.20000  1.0 3.0
   47    45    49    63   0.56750  1.0 1.0
   47    45    49    63  -0.07550 -1.0 2.0
   47    45    49    63   0.20000  1.0 3.0
   47    45    49    54   0.56750  1.0 1.0
   47    45    49    54  -0.07550 -1.0 2.0
   47    45    49    54   0.20000  1.0 3.0
   47    45    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   47    52   -58    59   1.63150  1.0 1.0
   47    52   -58    59   2.92000 -1.0 2.0
   47    61    65    68   0.09850  1.0 1.0
   47    61    65    68   0.15250 -1.0 2.0
   47    61    65    68  -0.50650  1.0 3.0
   47    61    65    71   0.46850  1.0 1.0
   47    61    65    71   0.08550 -1.0 2.0
   47    61    65    71   0.09800  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    58   0.00000  1.0 1.0
   48    47    61    59   0.15000  1.0 3.0
   48    47    61    62   0.15000  1.0 3.0
   48    47    61    65   0.15000  1.0 3.0
   52    47   -61    59  -0.95700  1.0 1.0
   52    47   -61    59  -0.18200 -1.0 2.0
   52    47   -61    59   0.29450  1.0 3.0
   52    47    61    62  -0.11250  1.0 3.0
   52    47    61    65  -0.98800  1.0 1.0
   52    47    61    65   0.48800 -1.0 2.0
   52    47    61    65   0.76800  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58   -59    61  -0.25900  1.0 1.0
   52    58   -59    61  -0.47000 -1.0 2.0
   52    58   -59    61   0.11750  1.0 3.0
   52    58    59    63  -0.25900  1.0 1.0
   52    58    59    63  -0.47000 -1.0 2.0
   52    58    59    63   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59   -61    47   0.62750  1.0 1.0
   58    59   -61    47  -0.30950 -1.0 2.0
   58    59   -61    47   0.27300  1.0 3.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    65   0.61850  1.0 1.0
   58    59    61    65  -0.22750 -1.0 2.0
   58    59    61    65   0.15300  1.0 3.0
   58    59    63    64   0.23400  1.0 3.0
   58    59    63    49   0.62750  1.0 1.0
   58    59    63    49  -0.30950 -1.0 2.0
   58    59    63    49   0.27300  1.0 3.0
   58    59    63    66   3.69350  1.0 1.0
   58    59    63    66  -1.82950 -1.0 2.0
   59    61    65    68   0.09850  1.0 1.0
   59    61    65    68   0.15250 -1.0 2.0
   59    61    65    68  -0.50650  1.0 3.0
   59    61    65    71   0.46850  1.0 1.0
   59    61    65    71   0.08550 -1.0 2.0
   59    61    65    71   0.09800  1.0 3.0
   59    63    49    33   0.56750  1.0 1.0
   59    63    49    33  -0.07550 -1.0 2.0
   59    63    49    33   0.20000  1.0 3.0
   59    63   -49    45   0.56750  1.0 1.0
   59    63   -49    45  -0.07550 -1.0 2.0
   59    63   -49    45   0.20000  1.0 3.0
   59    63    49    54   0.56750  1.0 1.0
   59    63    49    54  -0.07550 -1.0 2.0
   59    63    49    54   0.20000  1.0 3.0
   59    63    66    67  -0.11600  1.0 1.0
   59    63    66    67  -0.09450 -1.0 2.0
   59    63    66    67   0.21250  1.0 3.0
   60    59    61    47   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    49   0.15000  1.0 3.0
   60    59    63    66   0.23400  1.0 3.0
   61    47    52    53   0.30150 -1.0 2.0
   61    47   -52    58   0.36750  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    49   0.56750  1.0 1.0
   61    59    63    49  -0.07550 -1.0 2.0
   61    59    63    49   0.20000  1.0 3.0
   61    59    63    66   0.86500  1.0 1.0
   61    59    63    66  -0.17500 -1.0 2.0
   61    59    63    66   0.20800  1.0 3.0
   61    65    68    69   7.00000 -1.0 2.0
   61    65    68    70   7.00000 -1.0 2.0
   61    65    71    72   0.34800  1.0 3.0
   61    65    71    73   0.34800  1.0 3.0
   61    65    71    74   0.34800  1.0 3.0
   62    61    65    68   0.00000  1.0 1.0
   62    61    65    71   0.34800  1.0 3.0
   68    65    71    72   0.00000  1.0 1.0
   68    65    71    73   0.00000  1.0 1.0
   68    65    71    74   0.00000  1.0 1.0
   71    65    68    69   7.00000 -1.0 2.0
   71    65    68    70   7.00000 -1.0 2.0
   63    59   -61    47   0.56750  1.0 1.0
   63    59   -61    47  -0.07550 -1.0 2.0
   63    59   -61    47   0.20000  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    65   0.34400  1.0 1.0
   63    59    61    65   0.09450 -1.0 2.0
   63    59    61    65   0.11100  1.0 3.0
   63    49    54    55   0.15000  1.0 3.0
   63    49    54    56   0.15000  1.0 3.0
   63    49    54    57   0.15000  1.0 3.0
   64    63    49    33   0.15000  1.0 3.0
   64    63    49    45   0.15000  1.0 3.0
   64    63    49    54   0.15000  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33   -37    43   0.07850  1.0 1.0
   49    33   -37    43  -0.03950 -1.0 2.0
   49    33   -37    43   0.67350  1.0 3.0
   49    33    37    46   0.02550  1.0 1.0
   49    33    37    46  -0.02600 -1.0 2.0
   49    33    37    46   1.20400  1.0 3.0
   49    33    39    40   0.62750  1.0 1.0
   49    33    39    40  -0.30950 -1.0 2.0
   49    33    39    40   0.27300  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    52  -0.95700  1.0 1.0
   49    45    47    52  -0.18200 -1.0 2.0
   49    45    47    52   0.29450  1.0 3.0
   49    45   -47    61   0.56750  1.0 1.0
   49    45   -47    61  -0.07550 -1.0 2.0
   49    45   -47    61   0.20000  1.0 3.0
   49    45    50    51  -0.11600  1.0 1.0
   49    45    50    51  -0.09450 -1.0 2.0
   49    45    50    51   0.21250  1.0 3.0
   49    63    66    67  -0.11600  1.0 1.0
   49    63    66    67  -0.09450 -1.0 2.0
   49    63    66    67   0.21250  1.0 3.0
   66    63    49    33   0.86500  1.0 1.0
   66    63    49    33  -0.17500 -1.0 2.0
   66    63    49    33   0.20800  1.0 3.0
   66    63    49    45   0.86500  1.0 1.0
   66    63    49    45  -0.17500 -1.0 2.0
   66    63    49    45   0.20800  1.0 3.0
   66    63    49    54   0.86500  1.0 1.0
   66    63    49    54  -0.17500 -1.0 2.0
   66    63    49    54   0.20800  1.0 3.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    52  -0.09450  1.0 1.0
   50    45    47    52  -1.12950 -1.0 2.0
   50    45    47    52   0.54000  1.0 3.0
   50    45    47    61   0.86500  1.0 1.0
   50    45    47    61  -0.17500 -1.0 2.0
   50    45    47    61   0.20800  1.0 3.0
   50    45    49    33   0.86500  1.0 1.0
   50    45    49    33  -0.17500 -1.0 2.0
   50    45    49    33   0.20800  1.0 3.0
   50    45    49    63   0.86500  1.0 1.0
   50    45    49    63  -0.17500 -1.0 2.0
   50    45    49    63   0.20800  1.0 3.0
   50    45    49    54   0.86500  1.0 1.0
   50    45    49    54  -0.17500 -1.0 2.0
   50    45    49    54   0.20800  1.0 3.0
   46    37   -43    44   0.23400  1.0 3.0
   46    37   -43    45   0.02550  1.0 1.0
   46    37   -43    45  -0.02600 -1.0 2.0
   46    37   -43    45   1.20400  1.0 3.0
   46    43    45    47   0.02550  1.0 1.0
   46    43    45    47  -0.02600 -1.0 2.0
   46    43    45    47   1.20400  1.0 3.0
   46    43   -45    49   0.02550  1.0 1.0
   46    43   -45    49  -0.02600 -1.0 2.0
   46    43   -45    49   1.20400  1.0 3.0
   46    43    45    50   3.69350  1.0 1.0
   46    43    45    50  -1.82950 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.07850  1.0 1.0
   39    33    37    43  -0.03950 -1.0 2.0
   39    33    37    43   0.67350  1.0 3.0
   39    33    37    46   0.02550  1.0 1.0
   39    33    37    46  -0.02600 -1.0 2.0
   39    33    37    46   1.20400  1.0 3.0
   39    33    49    45   0.56750  1.0 1.0
   39    33    49    45  -0.07550 -1.0 2.0
   39    33    49    45   0.20000  1.0 3.0
   39    33    49    63   0.56750  1.0 1.0
   39    33    49    63  -0.07550 -1.0 2.0
   39    33    49    63   0.20000  1.0 3.0
   39    33    49    54   0.56750  1.0 1.0
   39    33    49    54  -0.07550 -1.0 2.0
   39    33    49    54   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   47    58    52    53  10.50000 -1.0 2.0
   61    71    65    68  15.00000 -1.0 2.0
   69    70    68    65  15.00000 -1.0 2.0
END
