* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    135    215     401
    1     0 S   NP   _N1_     1    28.83267    96.66714   -19.93977
    2     1 S   H    _HN1     2     1.02960    82.01533    29.79623
    3     1 S   H    _H1_     3     1.02836    46.55895   152.52620
    4     1 S   H    _H2_     4     1.02778    79.78888   -80.55324
    5     1 S   CT   _CA1     5     1.50108   157.29936   154.99482
    6     5 S   HC   _HA1     6     1.09574   105.24886    57.25441
    7     5 S   CO3  _C1_     7     1.53792   112.39086   -62.99102
    8     7 S   O2Z  _O11     8     1.26358   115.01182   -44.29936
    9     7 S   O2Z  _O12     9     1.26240   114.92107   134.94832
   10     5 S   CT   _CB1    10     1.53098   107.43276   175.17322
   11    10 S   HC   HB11    11     1.09824   109.35835   -50.92892
   12    10 S   HC   HB12    12     1.09820   110.40510    65.62477
   13    10 S   CT   _CG1    13     1.53001   112.65750  -172.03987
   14    13 S   HC   HG11    14     1.09598   110.42645   -63.18783
   15    13 S   HC   HG12    15     1.09649   110.00757    56.03084
   16    13 S   C    _CD1    16     1.51806   112.32910   176.40000
   17    16 S   O    _OE1    17     1.22715   123.27413    -3.15387
   18    16 S   N    _N2_    18     1.38627   111.60944   177.03146
   19    18 S   H    _HN2    19     1.01587   119.00771     1.38310
   20    18 S   CT1  _CA2    20     1.46203   123.39837  -179.62675
   21    20 S   HC   _HA2    21     1.09735   109.42706    -8.64041
   22    20 S   C    _C2_    22     1.53469   108.38462  -124.28174
   23    22 S   O    _O2_    23     1.23023   122.17645  -145.99569
   24    20 S   CT   _CB2    32     1.53527   111.43139   113.45435
   25    24 S   HC   HB21    33     1.09429   109.47399    55.84636
   26    24 S   HC   HB22    34     1.09446   109.85014   174.64709
   27    22 S   N    _N3_    24     1.38485   113.43089    41.34442
   28    27 S   H    _HN3    25     1.01522   118.92577    -0.76310
   29    24 S   S    _SG2    35     1.82977   111.42230   -65.96826
   30    27 S   CT   _CA3    26     1.45468   123.59596   175.18419
   31    30 S   HC   HA31    27     1.09510   109.43097    20.45414
   32    30 S   HC   HA32    28     1.09501   107.07455   137.49013
   33    29 S   CT   _C16    36     1.85956   101.99210   165.83482
   34    30 S   CO3  _C3_    29     1.52914   112.97555  -103.15555
   35    34 S   O2Z  _O31    30     1.26410   115.34860   -45.48153
   36    34 S   O2Z  _O32    31     1.26345   115.01522   135.40390
   37    33 S   CT   _C11    37     1.53876   109.16043   -62.36911
   38    37 S   HC   _H25    38     1.09418   112.76694    90.78144
   39    37 S   HC   _H26    39     1.09583   113.72839   -35.15958
   40    33 S   CT   _C18    67     1.55013   109.38003    58.49991
   41    40 S   HC   _H35    68     1.09468   111.83719    54.93174
   42    40 S   HC   _H36    69     1.09491   111.13125   -65.38208
   43    37 S   CO4  _C7_    40     1.49742   102.40856  -151.11057
   44    43 S   O    _O16    41     1.22105   123.26319  -151.87027
   45    40 S   OH   _O19    70     1.42353   111.62244   175.78797
   46    45 S   HO   _H37    71     0.97273   107.14380   179.24204
   47    43 S   CM   _C4_    42     1.50297   110.44772    28.88910
   48    47 S   CM   _C5_    43     1.35021   123.74347   165.61920
   49    33 S   CT   _C13    58     1.57904   109.04634  -175.18916
   50    49 S   HC   _H29    59     1.10098   107.71571    33.39193
   51    48 S   CT   _C10    44     1.51754   125.09936  -176.94886
   52    51 S   HC   _H23    45     1.09789   108.20255    82.54242
   53    51 S   HC   _H24    46     1.09892   108.29858  -163.65418
   54    48 S   CT   _C17    63     1.51523   122.79960    -1.90074
   55    54 S   HC   _H32    64     1.09426   110.24862    88.59390
   56    54 S   HC   _H33    65     1.09271   112.82461   -34.49598
   57    54 S   HC   _H34    66     1.09622   111.12848  -151.74320
   58    51 S   CT   _C12    47     1.52765   119.12401   -43.83482
   59    58 S   HC   _H27    48     1.09728   106.93529  -171.24418
   60    58 S   HC   _H28    49     1.09766   109.96878   -56.32968
   61    58 S   CT   _C14    50     1.52053   113.01479    68.36584
   62    61 S   HC   _H30    51     1.09883   110.15248    46.90260
   63    61 S   CM   _C6_    52     1.49337   117.18260   169.46587
   64    63 S   CO4  _C8_    53     1.47909   107.55748   149.34438
   65    64 S   O    _O17    54     1.21684   127.37910   167.05100
   66    63 S   CM   _C9_    60     1.33548   130.92513   -29.17314
   67    66 S   HC   _H21    61     1.08411   121.46801    -1.19419
   68    66 S   HC   _H22    62     1.08551   121.51716   179.13974
   69    64 S   OS   _O18    55     1.36396   106.47664   -11.58985
   70    61 S   CT   _C15    56     1.52010   112.24979   -76.90825
   71    70 S   HC   _H31    57     1.09876   110.53605   -45.01267
  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
  18   2   1   1  13   6   5   9   4   3   8   3   2   1  15  14
  11   4  13   6   5   4   2   1   1  10   5   4  10   6   8   7
   3   4   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    70    49    50    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    47    48    61    69    70    71    49    50    40    41    42    45    46  
   35    36  
   36  
    0  
   38    39    43    44    47    48    70    49    50    40    41    42    45  
   39    43    44    47    49    40  
   43    44    47    49    40  
   41    42    45    46    43    47    49    50    70  
   42    45    46    49  
   45    46    49  
   44    47    48    51    70    49    50    54  
   47    48    49  
   46    49  
    0  
   48    51    52    53    58    61    69    70    71    49    50    54    55    56    57  
   51    52    53    58    59    60    61    70    49    50    54    55    56    57  
   50    54    51    58    61    62    63    64    69    70    71  
   61    69    70    71  
   52    53    58    59    60    61    62    63    70    54    55    56    57  
   53    58    59    60    61    54  
   58    59    60    61    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    69    70    71    66  
   60    61    62    63    70  
   61    62    63    70  
   62    63    64    65    69    70    71    66    67    68  
   63    64    69    70    71    66  
   64    65    69    70    71    66    67    68  
   65    69    70    71    66    67    68  
   69    70    66  
   67    68    69    70  
   68  
    0  
   70    71  
   71  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    47   320.000  1.462
   47    48   549.000  1.340
   47    49   317.000  1.510
   48    51   317.000  1.510
   48    54   317.000  1.510
   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   317.000  1.510
   61    70   268.000  1.529
   63    64   320.000  1.462
   63    66   549.000  1.340
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    49   268.000  1.529
   49    50   340.000  1.090
   66    67   340.000  1.080
   66    68   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    47    70.00000  112.02700
   33    49    70    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    50.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    47    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    47    48    65.00000  118.96000
   43    47    49    65.00000  116.34900
   47    43    44    80.00000  123.72100
   47    48    51    70.00000  124.00000
   47    48    54    70.00000  124.00000
   47    49    70    70.00000  112.02700
   47    49    50    35.00000  109.50000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    58    70.00000  112.02700
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   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    70.00000  112.02700
   58    61    70    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    63    64    65.00000  116.34900
   61    63    66    70.00000  124.00000
   61    70    69    50.00000  109.50000
   61    70    71    37.50000  110.70000
   61    70    49    58.35000  112.70000
   63    61    62    35.00000  109.50000
   63    64    65    80.00000  123.72100
   63    64    69    90.00000  111.29400
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   64    69    70    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    70    71    35.00000  109.50000
   69    70    49    50.00000  109.50000
   70    61    62    37.50000  110.70000
   70    61    63    70.00000  112.02700
   70    49    50    37.50000  110.70000
   49    33    37    58.35000  112.70000
   49    47    48    70.00000  124.00000
   49    70    71    37.50000  110.70000
   66    63    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   54    48    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    45    46    55.00000  108.50000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
   29    33    49    47  -0.07550 -1.0 2.0
   29    33    49    47   0.20000  1.0 3.0
   29    33    49    70   0.44750  1.0 1.0
   29    33    49    70  -0.17800 -1.0 2.0
   29    33    49    70   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    47   0.65300  1.0 1.0
   33    37   -43    47  -0.03850 -1.0 2.0
   33    37   -43    47   0.33900  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   37    33   -49    47   0.34400  1.0 1.0
   37    33   -49    47   0.09450 -1.0 2.0
   37    33   -49    47   0.11100  1.0 3.0
   37    33    49    70   0.56750  1.0 1.0
   37    33    49    70  -0.07550 -1.0 2.0
   37    33    49    70   0.20000  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    43    47    48  -0.33500  1.0 1.0
   37    43    47    48   1.06600 -1.0 2.0
   37    43    47    48  -0.14000  1.0 3.0
   37    43   -47    49   0.25700  1.0 1.0
   37    43   -47    49   0.66200 -1.0 2.0
   37    43   -47    49   0.04450  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    47   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    47   0.00000  1.0 1.0
   43    47    48    51   7.00000 -1.0 2.0
   43    47    48    54   7.00000 -1.0 2.0
   43    47   -49    33   0.09700  1.0 1.0
   43    47   -49    33   0.15600 -1.0 2.0
   43    47   -49    33  -0.50800  1.0 3.0
   43    47    49    70   0.09700  1.0 1.0
   43    47    49    70   0.15600 -1.0 2.0
   43    47    49    70  -0.50800  1.0 3.0
   43    47    49    50   0.15000  1.0 3.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    49  -0.64400  1.0 1.0
   44    43    47    49   0.26850 -1.0 2.0
   47    48    51    52   0.00000  1.0 1.0
   47    48    51    53   0.00000  1.0 1.0
   47    48    51    58   0.09850  1.0 1.0
   47    48    51    58   0.15250 -1.0 2.0
   47    48    51    58  -0.50650  1.0 3.0
   47    48    54    55   0.00000  1.0 1.0
   47    48    54    56   0.00000  1.0 1.0
   47    48    54    57   0.00000  1.0 1.0
   48    47    49    33   0.09850  1.0 1.0
   48    47    49    33   0.15250 -1.0 2.0
   48    47    49    33  -0.50650  1.0 3.0
   48    47    49    70   0.09850  1.0 1.0
   48    47    49    70   0.15250 -1.0 2.0
   48    47    49    70  -0.50650  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    51    58    59   0.15000  1.0 3.0
   48    51    58    60   0.15000  1.0 3.0
   48    51    58    61   0.34400  1.0 1.0
   48    51    58    61   0.09450 -1.0 2.0
   48    51    58    61   0.11100  1.0 3.0
   51    48    54    55   0.34800  1.0 3.0
   51    48    54    56   0.34800  1.0 3.0
   51    48    54    57   0.34800  1.0 3.0
   51    58    61    62   0.15000  1.0 3.0
   51    58    61    63   0.34400  1.0 1.0
   51    58    61    63   0.09450 -1.0 2.0
   51    58    61    63   0.11100  1.0 3.0
   51    58    61    70   0.56750  1.0 1.0
   51    58    61    70  -0.07550 -1.0 2.0
   51    58    61    70   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    63    64   0.09700  1.0 1.0
   58    61    63    64   0.15600 -1.0 2.0
   58    61    63    64  -0.50800  1.0 3.0
   58    61    63    66   0.09850  1.0 1.0
   58    61    63    66   0.15250 -1.0 2.0
   58    61    63    66  -0.50650  1.0 3.0
   58    61    70    69   0.62750  1.0 1.0
   58    61    70    69  -0.30950 -1.0 2.0
   58    61    70    69   0.27300  1.0 3.0
   58    61    70    71   0.15000  1.0 3.0
   58    61    70    49   0.56750  1.0 1.0
   58    61    70    49  -0.07550 -1.0 2.0
   58    61    70    49   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    70   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    70   0.15000  1.0 3.0
   61    63    64    65  -0.64400  1.0 1.0
   61    63    64    65   0.26850 -1.0 2.0
   61    63   -64    69  -0.15000  1.0 1.0
   61    63   -64    69   0.89550 -1.0 2.0
   61    63   -64    69  -0.06900  1.0 3.0
   61    63    66    67   7.00000 -1.0 2.0
   61    63    66    68   7.00000 -1.0 2.0
   61    70    49    33   0.56750  1.0 1.0
   61    70    49    33  -0.07550 -1.0 2.0
   61    70    49    33   0.20000  1.0 3.0
   61    70    49    47   0.34400  1.0 1.0
   61    70    49    47   0.09450 -1.0 2.0
   61    70    49    47   0.11100  1.0 3.0
   61    70    49    50   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.00000  1.0 1.0
   62    61    70    69   0.23400  1.0 3.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    49   0.15000  1.0 3.0
   63    61   -70    69   0.61850  1.0 1.0
   63    61   -70    69  -0.22750 -1.0 2.0
   63    61   -70    69   0.15300  1.0 3.0
   63    61    70    71   0.15000  1.0 3.0
   63    61    70    49   0.34400  1.0 1.0
   63    61    70    49   0.09450 -1.0 2.0
   63    61    70    49   0.11100  1.0 3.0
   63    64   -69    70   2.00000 -1.0 2.0
   64    63    66    67   7.00000 -1.0 2.0
   64    63    66    68   7.00000 -1.0 2.0
   64    69   -70    61  -0.25900  1.0 1.0
   64    69   -70    61  -0.47000 -1.0 2.0
   64    69   -70    61   0.11750  1.0 3.0
   64    69    70    71   0.08050  1.0 3.0
   64    69    70    49  -0.25900  1.0 1.0
   64    69    70    49  -0.47000 -1.0 2.0
   64    69    70    49   0.11750  1.0 3.0
   65    64    69    70   3.00000 -1.0 2.0
   69    70    49    33   0.62750  1.0 1.0
   69    70    49    33  -0.30950 -1.0 2.0
   69    70    49    33   0.27300  1.0 3.0
   69    70    49    47   0.61850  1.0 1.0
   69    70    49    47  -0.22750 -1.0 2.0
   69    70    49    47   0.15300  1.0 3.0
   69    70    49    50   0.23400  1.0 3.0
   70    61   -63    64   0.09700  1.0 1.0
   70    61   -63    64   0.15600 -1.0 2.0
   70    61   -63    64  -0.50800  1.0 3.0
   70    61    63    66   0.09850  1.0 1.0
   70    61    63    66   0.15250 -1.0 2.0
   70    61    63    66  -0.50650  1.0 3.0
   71    70    49    33   0.15000  1.0 3.0
   71    70    49    47   0.15000  1.0 3.0
   71    70    49    50   0.15000  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    43  -0.95700  1.0 1.0
   49    33   -37    43  -0.18200 -1.0 2.0
   49    33   -37    43   0.29450  1.0 3.0
   49    33    40    41   0.15000  1.0 3.0
   49    33    40    42   0.15000  1.0 3.0
   49    33    40    45   0.86500  1.0 1.0
   49    33    40    45  -0.17500 -1.0 2.0
   49    33    40    45   0.20800  1.0 3.0
   49    47    48    51   7.00000 -1.0 2.0
   49    47    48    54   7.00000 -1.0 2.0
   66    63    64    65   1.00000 -1.0 2.0
   66    63    64    69  -0.56150  1.0 1.0
   66    63    64    69   2.19150 -1.0 2.0
   54    48    51    52   0.34800  1.0 3.0
   54    48    51    53   0.34800  1.0 3.0
   54    48    51    58   0.46850  1.0 1.0
   54    48    51    58   0.08550 -1.0 2.0
   54    48    51    58   0.09800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    49    47   0.34400  1.0 1.0
   40    33    49    47   0.09450 -1.0 2.0
   40    33    49    47   0.11100  1.0 3.0
   40    33    49    70   0.56750  1.0 1.0
   40    33    49    70  -0.07550 -1.0 2.0
   40    33    49    70   0.20000  1.0 3.0
   40    33    49    50   0.15000  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   42    40    45    46   0.19450  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
   37    47    43    44  10.50000 -1.0 2.0
   43    49    47    48   1.10000 -1.0 2.0
   51    54    48    47   1.10000 -1.0 2.0
   61    64    63    66   1.10000 -1.0 2.0
   63    69    64    65  10.50000 -1.0 2.0
   67    68    66    63   1.10000 -1.0 2.0
END
