* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    123    184     359
    1     0 S   NP   _N1_     1    28.74520    93.64746   -21.55189
    2     1 S   H    _HN1     2     1.02773    95.37027   -63.46012
    3     1 S   H    _H1_     3     1.02976    90.74536    44.98041
    4     1 S   H    _H2_     4     1.02840    25.70601   175.39683
    5     1 S   CT   _CA1     5     1.50138   136.22024   166.12910
    6     5 S   HC   _HA1     6     1.09571   105.27831    63.80528
    7     5 S   CO3  _C1_     7     1.53776   112.43535   -56.48124
    8     7 S   O2Z  _O11     8     1.26352   115.00474   -43.32221
    9     7 S   O2Z  _O12     9     1.26239   114.91012   135.97661
   10     5 S   CT   _CB1    10     1.53068   107.34427  -178.27524
   11    10 S   HC   HB11    11     1.09809   109.26022   -51.31797
   12    10 S   HC   HB12    12     1.09754   110.15896    65.27233
   13    10 S   CT   _CG1    13     1.52949   112.89857  -172.86463
   14    13 S   HC   HG11    14     1.09600   110.21018   -65.11707
   15    13 S   HC   HG12    15     1.09645   110.11786    53.99136
   16    13 S   C    _CD1    16     1.51885   112.41278   174.02443
   17    16 S   O    _OE1    17     1.22788   123.31052   -10.34878
   18    16 S   N    _N2_    18     1.38636   111.64725   170.61475
   19    18 S   H    _HN2    19     1.01625   118.97749    -1.30851
   20    18 S   CT1  _CA2    20     1.46141   123.45950   178.52701
   21    20 S   HC   _HA2    21     1.09593   108.67130   -20.23263
   22    20 S   C    _C2_    22     1.53423   108.34580  -134.98073
   23    22 S   O    _O2_    23     1.22987   122.31439  -146.65668
   24    20 S   CT   _CB2    32     1.53540   111.94026   102.41449
   25    24 S   HC   HB21    33     1.09638   109.63950    54.27629
   26    24 S   HC   HB22    34     1.09517   111.34175   171.98614
   27    22 S   N    _N3_    24     1.38539   113.20451    41.15494
   28    27 S   H    _HN3    25     1.01522   118.95348    -1.17736
   29    24 S   S    _SG2    35     1.82873   113.73121   -65.45301
   30    27 S   CT   _CA3    26     1.45434   123.38617   173.67566
   31    30 S   HC   HA31    27     1.09524   109.14678    26.27997
   32    30 S   HC   HA32    28     1.09485   107.15944   143.39995
   33    29 S   CT   _C16    36     1.81808    99.79294   -75.30073
   34    33 S   Cl   Cl1_    37     1.77726   111.17462   -86.15558
   35    33 S   HC   _H5_    38     1.09255   111.52246    33.43903
   36    30 S   CO3  _C3_    29     1.52984   113.16389   -97.01716
   37    36 S   O2Z  _O31    30     1.26405   115.51569   -39.62589
   38    36 S   O2Z  _O32    31     1.26359   114.89232   141.22061
   39    33 S   C    _C15    39     1.51900   108.19064   154.31153
   40    39 S   O    _O38    40     1.22939   123.65029    83.84968
   41    39 S   N    _N5_    41     1.38913   112.26625   -95.36379
   42    41 S   H    _H16    42     1.01738   119.28981     5.98242
   43    41 S   CT   _C7_    43     1.46679   123.06254   179.02562
   44    43 S   HC   _H3_    44     1.09785   106.55207    34.93089
   45    43 S   CT   _C6_    45     1.53753   109.02101   150.81846
   46    45 S   HC   _H9_    46     1.09699   109.64276   -56.33673
   47    45 S   HC   _H10    47     1.09538   110.51318  -175.94450
   48    43 S   CT   _C8_    55     1.55063   109.63589   -82.34278
   49    48 S   HC   _H4_    56     1.09770   109.43319    47.85789
   50    45 S   OS   _O34    48     1.43677   110.12689    62.68825
   51    48 S   CA   _C9_    57     1.51573   112.48089   167.18810
   52    48 S   OH   _O37    70     1.42622   111.72434   -68.32506
   53    52 S   HO   _H15    71     0.97417   107.21887    46.43052
   54    50 S   CO4  _C5_    49     1.36115   115.99660   175.26745
   55    54 S   O    _O33    50     1.22297   126.27101     0.13988
   56    51 S   CA   _C10    58     1.40494   119.28979   -83.04546
   57    56 S   HA   _H11    59     1.08821   120.12176    -0.59970
   58    54 S   CT   _C4_    51     1.49851   109.41801  -179.72234
   59    58 S   HC   _H6_    52     1.09302   109.83800   -60.26947
   60    58 S   HC   _H7_    53     1.09370   109.37957  -179.33884
   61    58 S   HC   _H8_    54     1.09302   109.79570    61.54060
   62    56 S   CA   _C11    60     1.39630   120.93174   179.33236
   63    62 S   HA   _H12    61     1.08660   118.78384  -179.81655
   64    62 S   CA   _C12    62     1.39665   119.21978    -0.21306
   65    64 S   CA   _C13    63     1.39688   120.94130    -0.08156
   66    65 S   HA   _H13    64     1.08664   121.96012   179.91607
   67    64 S   NO2  _N4_    67     1.45884   119.52936  -179.96574
   68    67 S   ON   _O36    68     1.23868   117.71251   -19.23461
   69    67 S   ON   _O35    69     1.23868   117.70785   160.77738
   70    51 S   CA   _C14    65     1.40407   121.94361    95.79387
   71    70 S   HA   _H14    66     1.08757   120.45210     0.46309
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   7   4   3   2   1   1   7   3  11   4  13   8  10   4   3  11
   5   6  11   3   1   5   4   8   4   3   2   1   1   8   3   7
   6   3   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48  
   41    42    43  
   42    43    44    45    46    47    50    48    49    51    52  
   43    44    45    48  
   44    45    46    47    50    54    48    49    51    56    70    52    53  
   45    46    47    50    48    49    51    52  
   46    47    50    54    55    58    48    49    51    52  
   47    50    54    48  
   50    54    48  
   49    51    56    57    62    65    70    71    52    53    50  
   51    56    70    52    53  
   54    55    58    59    60    61  
   56    57    62    63    64    65    66    70    71    52    53  
   53    56    70  
    0  
   55    58    59    60    61  
   58    59    60    61  
   57    62    63    64    65    70    71    67  
   62    63    64    70  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    70    67    68    69  
   64    65    67  
   65    66    70    71    67    68    69  
   66    70    71    67    68    69  
   70    71    67  
   68    69    70  
   69  
    0  
   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  -0.175000   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   0.104500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   42   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   68   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   69   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   434.000  1.010
   41    43   337.000  1.449
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    54   214.000  1.327
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    52   320.000  1.410
   51    56   469.000  1.400
   51    70   469.000  1.400
   56    57   367.000  1.080
   56    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   469.000  1.400
   64    67   400.000  1.460
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    71   367.000  1.080
   67    68   550.000  1.225
   67    69   550.000  1.225
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  110.65400
   29    33    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    51.00000  107.60000
   39    33    34    75.00000  109.32700
   39    33    35    35.00000  109.50000
   39    41    42    35.00000  119.80000
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  110.72300
   41    43    48    70.00000  110.72300
   43    41    42    38.00000  118.40000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    51    70.00000  112.17500
   43    48    52    50.00000  109.50000
   45    43    44    37.50000  110.70000
   45    50    54    83.00000  116.90000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    54    55    83.00000  123.40000
   50    54    58    81.00000  111.40000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   58    54    55    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    51    56    70.00000  120.00000
   48    51    70    70.00000  120.00000
   48    52    53    55.00000  108.50000
   51    48    49    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    62    63.00000  120.00000
   51    70    65    63.00000  120.00000
   51    70    71    35.00000  120.00000
   56    62    63    35.00000  120.00000
   56    62    64    63.00000  120.00000
   62    56    57    35.00000  120.00000
   62    64    65    63.00000  120.00000
   62    64    67    85.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    70    63.00000  120.00000
   64    67    68    80.00000  117.50000
   64    67    69    80.00000  117.50000
   65    70    71    35.00000  120.00000
   70    51    56    63.00000  120.00000
   70    65    66    35.00000  120.00000
   67    64    65    85.00000  120.00000
   69    67    68    80.00000  125.30000
   52    48    49    35.00000  109.50000
   52    48    51    90.00000  112.51600
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   2.45000 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.30150 -1.0 2.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45  -0.43950  1.0 1.0
   39    41    43    45  -0.08100 -1.0 2.0
   39    41    43    45   0.03350  1.0 3.0
   39    41    43    48  -0.43950  1.0 1.0
   39    41    43    48  -0.08100 -1.0 2.0
   39    41    43    48   0.03350  1.0 3.0
   40    39    41    42   2.45000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    47   0.15000  1.0 3.0
   41    43    45    50   1.12100  1.0 1.0
   41    43    45    50  -0.16500 -1.0 2.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    51   0.08550  1.0 1.0
   41    43    48    51   1.07500 -1.0 2.0
   41    43    48    51  -0.10950  1.0 3.0
   41    43    48    52   2.76900  1.0 1.0
   41    43    48    52  -0.24350 -1.0 2.0
   41    43    48    52  -0.78250  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    48   0.00000  1.0 1.0
   43    45    50    54  -0.25900  1.0 1.0
   43    45    50    54  -0.47000 -1.0 2.0
   43    45    50    54   0.11750  1.0 3.0
   43    48    51    56   0.04150 -1.0 2.0
   43    48    51    70   0.04150 -1.0 2.0
   43    48    52    53  -0.11600  1.0 1.0
   43    48    52    53  -0.09450 -1.0 2.0
   43    48    52    53   0.21250  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    51   0.43200  1.0 3.0
   44    43    48    52   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    51  -0.03700  1.0 1.0
   45    43    48    51   0.37200 -1.0 2.0
   45    43    48    51  -0.47300  1.0 3.0
   45    43    48    52   0.86500  1.0 1.0
   45    43    48    52  -0.17500 -1.0 2.0
   45    43    48    52   0.20800  1.0 3.0
   45    50    54    55   3.00000 -1.0 2.0
   45    50    54    58   1.63150  1.0 1.0
   45    50    54    58   2.92000 -1.0 2.0
   46    45    50    54   0.08050  1.0 3.0
   47    45    50    54   0.08050  1.0 3.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    61   0.00000  1.0 1.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    61   0.00000  1.0 1.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.62750  1.0 1.0
   48    43    45    50  -0.30950 -1.0 2.0
   48    43    45    50   0.27300  1.0 3.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    56    62   3.62500 -1.0 2.0
   48    51    70    65   3.62500 -1.0 2.0
   48    51    70    71   3.62500 -1.0 2.0
   49    48    51    56   0.00000  1.0 1.0
   49    48    51    70   0.00000  1.0 1.0
   49    48    52    53   0.19450  1.0 3.0
   51    48    52    53   0.31900  1.0 1.0
   51    48    52    53  -0.11800 -1.0 2.0
   51    48    52    53   0.38750  1.0 3.0
   51    56    62    63   3.62500 -1.0 2.0
   51    56    62    64   3.62500 -1.0 2.0
   56    51    70    65   3.62500 -1.0 2.0
   56    51    70    71   3.62500 -1.0 2.0
   56    62   -64    65   3.62500 -1.0 2.0
   56    62    64    67   3.62500 -1.0 2.0
   57    56    62    63   3.62500 -1.0 2.0
   57    56    62    64   3.62500 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   62    64    65    70   3.62500 -1.0 2.0
   62    64    67    68   0.69950 -1.0 2.0
   62    64    67    69   0.69950 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    67   3.62500 -1.0 2.0
   64    65   -70    51   3.62500 -1.0 2.0
   64    65    70    71   3.62500 -1.0 2.0
   65    64    67    68   0.69950 -1.0 2.0
   65    64    67    69   0.69950 -1.0 2.0
   66    65    70    51   3.62500 -1.0 2.0
   66    65    70    71   3.62500 -1.0 2.0
   70    51    56    57   3.62500 -1.0 2.0
   70    51   -56    62   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    70   3.62500 -1.0 2.0
   52    48    51    56   0.14300 -1.0 2.0
   52    48    51    56   0.00300  1.0 3.0
   52    48    51    70   0.14300 -1.0 2.0
   52    48    51    70   0.00300  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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   42    39    41    43   1.00000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   56    70    51    48   4.00000 -1.0 2.0
   62    57    56    51   1.10000 -1.0 2.0
   64    63    62    56   1.10000 -1.0 2.0
   65    67    64    62   4.00000 -1.0 2.0
   70    66    65    64   1.10000 -1.0 2.0
   65    71    70    51   1.10000 -1.0 2.0
   68    64    67    69  10.50000 -1.0 2.0
END
