* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    131    194     375
    1     0 S   NP   _N1_     1    28.90307    93.61568   -22.28211
    2     1 S   H    _HN1     2     1.02953    86.19219    27.13748
    3     1 S   H    _H1_     3     1.02830    26.21189   170.43676
    4     1 S   H    _H2_     4     1.02782   100.77817   -80.82918
    5     1 S   CT   _CA1     5     1.50119   134.69849   142.32282
    6     5 S   HC   _HA1     6     1.09572   105.22054    72.09252
    7     5 S   CO3  _C1_     7     1.53793   112.37614   -48.16639
    8     7 S   O2Z  _O11     8     1.26371   115.00272   -43.90325
    9     7 S   O2Z  _O12     9     1.26237   114.93674   135.19226
   10     5 S   CT   _CB1    10     1.53072   107.41881  -169.93667
   11    10 S   HC   HB11    11     1.09829   109.38980   -49.82953
   12    10 S   HC   HB12    12     1.09826   110.43717    66.76119
   13    10 S   CT   _CG1    13     1.53007   112.62428  -170.84079
   14    13 S   HC   HG11    14     1.09588   110.53649   -64.03944
   15    13 S   HC   HG12    15     1.09657   109.93102    55.24149
   16    13 S   C    _CD1    16     1.51774   112.19239   175.63130
   17    16 S   O    _OE1    17     1.22746   123.22420     1.72839
   18    16 S   N    _N2_    18     1.38692   111.70023  -178.32112
   19    18 S   H    _HN2    19     1.01577   119.08839     1.72748
   20    18 S   CT1  _CA2    20     1.46184   123.19567   179.54933
   21    20 S   HC   _HA2    21     1.09747   109.20009    -2.54830
   22    20 S   C    _C2_    22     1.53431   108.65541  -118.01766
   23    22 S   O    _O2_    23     1.23044   122.32968  -148.16397
   24    20 S   CT   _CB2    32     1.53430   111.95232   119.11890
   25    24 S   HC   HB21    33     1.09582   110.44136    60.07448
   26    24 S   HC   HB22    34     1.09472   109.66694   178.97933
   27    22 S   N    _N3_    24     1.38353   113.58472    39.28133
   28    27 S   H    _HN3    25     1.01617   119.50806    -3.54834
   29    24 S   S    _SG2    35     1.82559   111.42154   -60.38252
   30    27 S   CT   _CA3    26     1.45289   123.17261   177.00938
   31    30 S   HC   HA31    27     1.09551   107.53357   -63.79139
   32    30 S   HC   HA32    28     1.09558   107.94557    52.62464
   33    29 S   CT   _C15    36     1.82267    99.91892  -170.83430
   34    33 S   HC   _H3_    37     1.09579   110.86889   -38.88424
   35    30 S   CO3  _C3_    29     1.52946   114.11434   174.60886
   36    35 S   O2Z  _O31    30     1.26370   116.05719    -0.54680
   37    35 S   O2Z  _O32    31     1.26429   114.41442   179.51141
   38    33 S   CM   _C5_    38     1.49385   110.18089    82.52626
   39    38 S   HC   _H22    39     1.09005   115.76279   -76.37030
   40    38 S   CMA  _C8_    40     1.34986   126.00689   105.87998
   41    40 S   OM   _O17    41     1.26053   128.15078   177.65298
   42    40 S   CM   _C7_    42     1.49023   118.27478    -1.98771
   43    42 S   CM   _C4_    43     1.34857   120.18707    11.89279
   44    43 S   HC   _H21    44     1.08383   122.88923   178.05368
   45    42 S   CT   _C14    47     1.53731   120.35128  -168.84615
   46    45 S   HC   _H27    48     1.09553   111.16995   -47.55867
   47    33 S   CO4  _C10    45     1.51509   107.48780  -155.64065
   48    47 S   O    _O18    46     1.23161   121.99153    75.71918
   49    45 S   CM   _C6_    49     1.49402   112.69917    77.63308
   50    49 S   HC   _H23    50     1.08056   124.40543   -61.86667
   51    49 S   CM   _C9_    51     1.33240   110.53130   118.26207
   52    51 S   CT   _C13    52     1.48362   109.59371     0.92873
   53    52 S   HC   _H25    53     1.09382   112.05916   120.06319
   54    52 S   HC   _H26    54     1.09344   112.32954  -116.24767
   55    51 S   CT   _C18    56     1.49281   127.71588   179.17102
   56    55 S   HC   _H35    57     1.09729   108.28698  -130.07639
   57    55 S   HC   _H36    58     1.09785   110.13792   -14.71499
   58    45 S   OS   _O19    55     1.45258   111.85797  -164.75876
   59    55 S   CT   _C19    59     1.53319   113.51311   108.87975
   60    59 S   HC   _H37    60     1.09385   110.74830    51.96305
   61    59 S   HC   _H38    61     1.09779   108.23492   167.07046
   62    59 S   CM   _C11    62     1.50489   112.51619   -74.89699
   63    62 S   HC   _H24    63     1.08983   113.81464   -68.86063
   64    62 S   CM   _C12    64     1.34653   128.33757   112.34011
   65    64 S   CT   _C16    65     1.50629   120.29382   178.27535
   66    65 S   HC   _H29    66     1.09356   110.29876   117.34441
   67    65 S   HC   _H30    67     1.09510   112.43237    -2.73373
   68    65 S   HC   _H31    68     1.09507   110.29842  -122.75758
   69    64 S   CT   _C17    69     1.50197   125.36492    -1.99753
   70    69 S   HC   _H32    70     1.09492   110.06717   116.17468
   71    69 S   HC   _H33    71     1.09475   110.06890  -124.60494
   72    69 S   HC   _H34    72     1.09146   113.59537    -4.67655
  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   8   5   4   3
  10   6   2   1   1   8   4   9   3  11   7   3  10   5   1   1
  10   4  11   7   3   2   9   5   4   1   7   4   3  10   3   8
   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48  
   38    39    40    43    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    47    48    45  
   40    41    42    47  
   41    42    43    44    47    45    46    49    58  
   42    43    45  
   43    44    47    48    45    46    49    50    51    52    58  
   44    47    48    45    46    49    58  
   47    48    45  
   46    49    50    51    52    53    54    58    55    47  
   49    50    51    52    58  
   48  
    0  
   50    51    52    53    54    58    55    56    57    59  
   51    52    58    55  
   52    53    54    58    55    56    57    59    60    61    62  
   53    54    58    55    56    57    59  
   54    58    55  
   58    55  
   56    57    59    60    61    62    63    64    58  
   57    59    60    61    62  
   59    60    61    62  
    0  
   60    61    62    63    64    65    69  
   61    62    63    64  
   62    63    64  
   63    64    65    66    67    68    69    70    71    72  
   64    65    69  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.308000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    47   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    45   317.000  1.510
   43    44   340.000  1.080
   43    47   320.000  1.462
   47    48   570.000  1.229
   45    46   340.000  1.090
   45    49   317.000  1.510
   45    58   320.000  1.410
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   317.000  1.510
   51    55   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    69   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    43    65.00000  118.62400
   33    47    48    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    45    70.00000  124.00000
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  120.00000
   42    43    47    65.00000  118.96000
   42    45    46    35.00000  109.50000
   42    45    49    70.00000  110.12100
   42    45    58    85.00000  110.90400
   43    47    48    80.00000  123.72100
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  109.06800
   47    43    44    40.00000  117.72500
   45    42    43    70.00000  124.00000
   45    49    50    35.00000  117.00000
   45    49    51    70.00000  124.00000
   45    58    52    60.00000  109.50000
   49    45    46    35.00000  109.50000
   49    51    52    70.00000  124.00000
   49    51    55    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  109.50000
   51    52    54    35.00000  109.50000
   51    52    58    85.00000  110.90400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    59    70.00000  112.02700
   54    52    53    33.00000  107.80000
   58    45    46    35.00000  109.50000
   58    45    49    85.00000  110.90400
   58    52    53    35.00000  109.50000
   58    52    54    35.00000  109.50000
   55    51    52    65.00000  117.92700
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    70.00000  112.02700
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    69    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    68    35.00000  109.50000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    64    65    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    43   0.65300  1.0 1.0
   29    33    47    43  -0.03850 -1.0 2.0
   29    33    47    43   0.33900  1.0 3.0
   29    33    47    48   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43   0.00000  1.0 1.0
   34    33    47    48   0.00000  1.0 1.0
   38    33    47    43   0.65300  1.0 1.0
   38    33    47    43  -0.03850 -1.0 2.0
   38    33    47    43   0.33900  1.0 3.0
   38    33    47    48   0.30150 -1.0 2.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    47   7.00000 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    49  -0.28300  1.0 1.0
   40    42    45    49   0.26700 -1.0 2.0
   40    42    45    49  -0.63300  1.0 3.0
   40    42    45    58   0.39000  1.0 1.0
   40    42    45    58  -0.05800 -1.0 2.0
   40    42    45    58  -0.55150  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -47    33  -0.33500  1.0 1.0
   42    43   -47    33   1.06600 -1.0 2.0
   42    43   -47    33  -0.14000  1.0 3.0
   42    43    47    48   1.00000 -1.0 2.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    51  -0.28300  1.0 1.0
   42    45    49    51   0.26700 -1.0 2.0
   42    45    49    51  -0.63300  1.0 3.0
   42    45    58    52  -0.77900  1.0 1.0
   42    45    58    52  -0.36900 -1.0 2.0
   42    45    58    52   0.40400  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    49  -0.28300  1.0 1.0
   43    42    45    49   0.26700 -1.0 2.0
   43    42    45    49  -0.63300  1.0 3.0
   43    42    45    58   0.39000  1.0 1.0
   43    42    45    58  -0.05800 -1.0 2.0
   43    42    45    58  -0.55150  1.0 3.0
   44    43    47    33   0.04550  1.0 1.0
   44    43    47    33   0.83000 -1.0 2.0
   44    43    47    33  -0.04000  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40  -0.51250  1.0 1.0
   47    33   -38    40  -0.88800 -1.0 2.0
   47    33   -38    40   0.08850  1.0 3.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    47   7.00000 -1.0 2.0
   45    49   -51    52   7.00000 -1.0 2.0
   45    49    51    55   7.00000 -1.0 2.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    58    52   0.37050  1.0 3.0
   49    45   -58    52  -0.77900  1.0 1.0
   49    45   -58    52  -0.36900 -1.0 2.0
   49    45   -58    52   0.40400  1.0 3.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    54   0.00000  1.0 1.0
   49    51   -52    58   0.39000  1.0 1.0
   49    51   -52    58  -0.05800 -1.0 2.0
   49    51   -52    58  -0.55150  1.0 3.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    57   0.00000  1.0 1.0
   49    51    55    59   0.09850  1.0 1.0
   49    51    55    59   0.15250 -1.0 2.0
   49    51    55    59  -0.50650  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    55   7.00000 -1.0 2.0
   51    52   -58    45  -0.77900  1.0 1.0
   51    52   -58    45  -0.36900 -1.0 2.0
   51    52   -58    45   0.40400  1.0 3.0
   51    55    59    60   0.15000  1.0 3.0
   51    55    59    61   0.15000  1.0 3.0
   51    55    59    62   0.31000  1.0 1.0
   51    55    59    62   0.14700 -1.0 2.0
   51    55    59    62   0.07550  1.0 3.0
   52    51    55    56   0.34800  1.0 3.0
   52    51    55    57   0.34800  1.0 3.0
   52    51    55    59   0.46850  1.0 1.0
   52    51    55    59   0.08550 -1.0 2.0
   52    51    55    59   0.09800  1.0 3.0
   53    52    58    45   0.37050  1.0 3.0
   54    52    58    45   0.37050  1.0 3.0
   58    45    49    50   0.00000  1.0 1.0
   58    45   -49    51   0.39000  1.0 1.0
   58    45   -49    51  -0.05800 -1.0 2.0
   58    45   -49    51  -0.55150  1.0 3.0
   55    51    52    53   0.34800  1.0 3.0
   55    51    52    54   0.34800  1.0 3.0
   55    51    52    58   0.09700  1.0 1.0
   55    51    52    58   0.15600 -1.0 2.0
   55    51    52    58  -0.50800  1.0 3.0
   55    59    62    63   0.00000  1.0 1.0
   55    59    62    64   0.09850  1.0 1.0
   55    59    62    64   0.15250 -1.0 2.0
   55    59    62    64  -0.50650  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    62   0.15000  1.0 3.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62    64    69   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    68   0.00000  1.0 1.0
   62    64    69    70   0.00000  1.0 1.0
   62    64    69    71   0.00000  1.0 1.0
   62    64    69    72   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    69   7.00000 -1.0 2.0
   65    64    69    70   0.34800  1.0 3.0
   65    64    69    71   0.34800  1.0 3.0
   65    64    69    72   0.34800  1.0 3.0
   69    64    65    66   0.34800  1.0 3.0
   69    64    65    67   0.34800  1.0 3.0
   69    64    65    68   0.34800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   47    44    43    42   1.10000 -1.0 2.0
   33    43    47    48  10.50000 -1.0 2.0
   45    50    49    51   1.10000 -1.0 2.0
   52    55    51    49   1.10000 -1.0 2.0
   59    63    62    64  15.00000 -1.0 2.0
   65    69    64    62  15.00000 -1.0 2.0
END
