* LIGAND DATABASE FILE (OPLS2005)
*
001      68    68    122    182     363
    1     0 S   NP   _N1_     1    28.70321    93.99316   -21.04874
    2     1 S   H    _HN1     2     1.02780    90.03257   -84.51280
    3     1 S   H    _H1_     3     1.02951    91.92689    23.80804
    4     1 S   H    _H2_     4     1.02838    29.24252   146.56630
    5     1 S   CT   _CA1     5     1.50167   139.97467   149.41970
    6     5 S   HC   _HA1     6     1.09587   105.15391    57.82774
    7     5 S   CO3  _C1_     7     1.53818   112.48220   -61.99407
    8     7 S   O2Z  _O11     8     1.26399   115.10236   -41.36322
    9     7 S   O2Z  _O12     9     1.26235   114.92867   137.82595
   10     5 S   CT   _CB1    10     1.53092   107.29653   175.41811
   11    10 S   HC   HB11    11     1.09827   109.13331   -52.48976
   12    10 S   HC   HB12    12     1.09742   110.42629    63.81056
   13    10 S   CT   _CG1    13     1.53003   112.93115  -173.74439
   14    13 S   HC   HG11    14     1.09595   110.29004   -64.46122
   15    13 S   HC   HG12    15     1.09638   110.12068    54.80497
   16    13 S   C    _CD1    16     1.51827   112.28450   175.02181
   17    16 S   O    _OE1    17     1.22722   123.21327    -7.42502
   18    16 S   N    _N2_    18     1.38639   111.77298   173.16040
   19    18 S   H    _HN2    19     1.01586   119.02048     2.08732
   20    18 S   CT1  _CA2    20     1.46236   123.41774  -178.77475
   21    20 S   HC   _HA2    21     1.09628   109.14114    -4.45448
   22    20 S   C    _C2_    22     1.53412   108.80767  -119.89198
   23    22 S   O    _O2_    23     1.23037   122.12768  -146.47715
   24    20 S   CT   _CB2    32     1.53463   111.42613   117.62639
   25    24 S   HC   HB21    33     1.09642   109.68085    58.30685
   26    24 S   HC   HB22    34     1.09550   111.45960   176.26011
   27    22 S   N    _N3_    24     1.38475   113.53114    41.08128
   28    27 S   H    _HN3    25     1.01498   118.97841    -0.66647
   29    24 S   S    _SG2    35     1.82673   113.12480   -61.01695
   30    27 S   CT   _CA3    26     1.45446   123.35714   174.67446
   31    30 S   HC   HA31    27     1.09531   109.10683    26.89526
   32    30 S   HC   HA32    28     1.09490   107.15478   143.92006
   33    29 S   CT   _C12    36     1.82945    99.84459   -79.85338
   34    33 S   HC   _H13    37     1.09507   106.54433   -86.20922
   35    33 S   HC   _H14    38     1.09397   110.11787    30.73655
   36    30 S   CO3  _C3_    29     1.52956   113.22909   -96.45784
   37    36 S   O2Z  _O31    30     1.26397   115.48522   -41.82370
   38    36 S   O2Z  _O32    31     1.26366   114.92212   139.09380
   39    33 S   CT   _C11    39     1.53483   113.17364   153.32354
   40    39 S   HC   _H8_    40     1.09681   108.77141   175.13260
   41    39 S   CT   _C10    41     1.52977   113.12465   -64.15414
   42    41 S   HC   _H11    42     1.09523   109.82022   -51.49279
   43    41 S   HC   _H12    43     1.09471   110.92025    70.05311
   44    39 S   OH   _O35    67     1.42841   110.60500    58.78252
   45    44 S   HO   _H15    68     0.97215   107.64440    54.28453
   46    41 S   OS1  _O34    44     1.43131   108.71691  -170.68384
   47    46 S   CO1  _C9_    45     1.43369   112.27499   175.67790
   48    47 S   HC   _H7_    46     1.09676   107.85354   -55.32103
   49    47 S   CT   _C8_    47     1.53615   109.60581  -172.90339
   50    49 S   HC   _H6_    48     1.09674   109.93313   169.45654
   51    49 S   CT   _C7_    49     1.53063   110.67604   -70.06899
   52    51 S   HC   _H5_    50     1.09694   109.49182    70.51024
   53    49 S   OH5  _O36    65     1.42679   110.52739    51.50291
   54    53 S   HO   _H16    66     0.97215   107.67593    55.63081
   55    51 S   CT   _C6_    51     1.53505   111.00525   -51.18667
   56    55 S   HC   _H4_    52     1.09552   109.65704   173.78997
   57    51 S   OH5  _O37    63     1.42757   109.31997  -172.77284
   58    57 S   HO   _H17    64     0.97224   107.56934   176.44125
   59    55 S   CT   _C5_    53     1.53304   110.49330    51.62584
   60    59 S   HC   _H3_    54     1.09719   110.24062    63.74890
   61    55 S   OH5  _O38    61     1.43099   110.01785   -69.76261
   62    61 S   HO   _H18    62     0.97235   108.04942    70.42506
   63    47 S   OS1  _O33    55     1.43203   113.27096    63.93975
   64    59 S   CT   _C4_    56     1.52830   112.36909  -174.63115
   65    64 S   HC   _H9_    57     1.09512   111.28827    73.08309
   66    64 S   HC   _H10    58     1.09400   111.35970   -49.62471
   67    64 S   OH5  _O39    59     1.42502   108.71636  -168.35493
   68    67 S   HO   _H19    60     0.97580   107.00352  -166.59623
  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   7   5   4   3
  10   5   4   2   1   1   8   6   9   4   3   2   1   8  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   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    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    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    46    47    44    45  
   41    42    43    46    44    45  
   42    43    46    47    48    49    63    44    45  
   43    46    47    44  
   46    47    44  
   45    46  
    0  
   47    48    49    50    51    59    63    53  
   48    49    50    51    52    55    59    60    63    64    57    53    54  
   49    50    51    59    63    53  
   50    51    52    55    56    59    63    61    57    58    53    54  
   51    52    55    63    57    53    54  
   52    55    56    59    60    63    64    61    62    57    58    53    54  
   55    56    59    61    57    58    53  
   54    55    57    63  
    0  
   56    59    60    63    64    65    66    67    61    62    57    58  
   59    60    63    64    61    62    57  
   58    59    61  
    0  
   60    63    64    65    66    67    68    61    62  
   63    64    65    66    67    61  
   62    63    64  
    0  
   64    65    66    67  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   335.000  1.422
   46    47   370.000  1.399
   47    48   360.000  1.097
   47    49   255.000  1.525
   47    63   370.000  1.399
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   355.000  1.421
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   355.000  1.421
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    63   335.000  1.422
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   355.000  1.421
   67    68   580.000  0.967
   61    62   580.000  0.967
   57    58   580.000  0.967
   53    54   580.000  0.967
   44    45   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    46    95.00000  107.88500
   39    44    45    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    46    47    90.00000  112.10700
   43    41    42    33.00000  107.80000
   46    41    42    55.00000  108.98800
   46    41    43    55.00000  108.98800
   46    47    48    60.00000  105.75400
   46    47    49    90.00000  109.70700
   46    47    63   110.00000  113.16000
   47    49    50    45.00000  109.54000
   47    49    51    70.00000  111.10000
   47    49    53    90.00000  109.42000
   47    63    59    90.00000  112.10700
   49    47    48    45.00000  111.65000
   49    51    52    37.50000  110.70000
   49    51    55    58.35000  112.70000
   49    51    57    90.00000  111.45300
   49    53    54    65.00000  108.53500
   51    49    50    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    61    90.00000  111.45300
   51    57    58    65.00000  108.53500
   55    51    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    95.00000  107.88500
   55    59    64    58.35000  112.70000
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    90.00000  111.45300
   63    47    48    60.00000  105.75400
   63    47    49    90.00000  109.70700
   63    59    60    55.00000  108.98800
   64    59    60    37.50000  110.70000
   64    59    63    95.00000  107.88500
   64    67    68    65.00000  108.53500
   66    64    65    33.00000  107.80000
   67    64    65    60.00000  109.39000
   67    64    66    60.00000  109.39000
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   57    51    52    60.00000  109.39000
   57    51    55    90.00000  111.45300
   53    49    50    60.00000  109.39000
   53    49    51    90.00000  111.45300
   44    39    40    35.00000  109.50000
   44    39    41    50.00000  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    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   0.32350  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   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    46    47   0.06250  1.0 1.0
   39    41    46    47  -0.01100 -1.0 2.0
   39    41    46    47   0.28050  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45  -0.11600  1.0 1.0
   41    39    44    45  -0.09450 -1.0 2.0
   41    39    44    45   0.21250  1.0 3.0
   41    46    47    48   0.37050  1.0 3.0
   41    46    47    49   0.06250  1.0 1.0
   41    46    47    49  -0.01100 -1.0 2.0
   41    46    47    49   0.28050  1.0 3.0
   41    46    47    63  -0.12700  1.0 1.0
   41    46    47    63  -1.16200 -1.0 2.0
   41    46    47    63   0.58800  1.0 3.0
   42    41    46    47   0.37050  1.0 3.0
   43    41    46    47   0.37050  1.0 3.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.62750  1.0 1.0
   46    47    49    51  -0.30950 -1.0 2.0
   46    47    49    51   0.27300  1.0 3.0
   46    47    49    53   1.51850  1.0 1.0
   46    47    63    59  -0.70400  1.0 1.0
   46    47    63    59  -0.90350 -1.0 2.0
   47    49    51    52   0.15000  1.0 3.0
   47    49    51    55   0.56750  1.0 1.0
   47    49    51    55  -0.07550 -1.0 2.0
   47    49    51    55   0.20000  1.0 3.0
   47    49    51    57  -0.47750  1.0 1.0
   47    49    53    54   0.29150  1.0 1.0
   47    49    53    54  -0.28350 -1.0 2.0
   47    49    53    54   0.43600  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.23400  1.0 3.0
   48    47    63    59   0.37050  1.0 3.0
   49    47    63    59   0.06250  1.0 1.0
   49    47    63    59  -0.01100 -1.0 2.0
   49    47    63    59   0.28050  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51   -55    59   0.56750  1.0 1.0
   49    51   -55    59  -0.07550 -1.0 2.0
   49    51   -55    59   0.20000  1.0 3.0
   49    51    55    61  -0.47750  1.0 1.0
   49    51    57    58   0.29150  1.0 1.0
   49    51    57    58  -0.28350 -1.0 2.0
   49    51    57    58   0.43600  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.23400  1.0 3.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54   0.29150  1.0 1.0
   51    49    53    54  -0.28350 -1.0 2.0
   51    49    53    54   0.43600  1.0 3.0
   51    55    59    60   0.15000  1.0 3.0
   51    55    59    63   0.62750  1.0 1.0
   51    55    59    63  -0.30950 -1.0 2.0
   51    55    59    63   0.27300  1.0 3.0
   51    55    59    64   0.56750  1.0 1.0
   51    55    59    64  -0.07550 -1.0 2.0
   51    55    59    64   0.20000  1.0 3.0
   51    55    61    62   0.29150  1.0 1.0
   51    55    61    62  -0.28350 -1.0 2.0
   51    55    61    62   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.23400  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   55    51    57    58   0.29150  1.0 1.0
   55    51    57    58  -0.28350 -1.0 2.0
   55    51    57    58   0.43600  1.0 3.0
   55    59   -63    47   0.06250  1.0 1.0
   55    59   -63    47  -0.01100 -1.0 2.0
   55    59   -63    47   0.28050  1.0 3.0
   55    59    64    65   0.15000  1.0 3.0
   55    59    64    66   0.15000  1.0 3.0
   55    59    64    67  -0.47750  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.23400  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    64    67    68   0.29150  1.0 1.0
   59    64    67    68  -0.28350 -1.0 2.0
   59    64    67    68   0.43600  1.0 3.0
   60    59    63    47   0.37050  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.23400  1.0 3.0
   63    47    49    50   0.23400  1.0 3.0
   63    47   -49    51   0.62750  1.0 1.0
   63    47   -49    51  -0.30950 -1.0 2.0
   63    47   -49    51   0.27300  1.0 3.0
   63    47    49    53   1.51850  1.0 1.0
   63    59    64    65   0.23400  1.0 3.0
   63    59    64    66   0.23400  1.0 3.0
   63    59    64    67   1.51850  1.0 1.0
   64    59    63    47   0.06250  1.0 1.0
   64    59    63    47  -0.01100 -1.0 2.0
   64    59    63    47   0.28050  1.0 3.0
   65    64    67    68   0.19450  1.0 3.0
   66    64    67    68   0.19450  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63   1.51850  1.0 1.0
   61    55    59    64  -0.47750  1.0 1.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    59  -0.47750  1.0 1.0
   57    51    55    61   3.77950  1.0 1.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55  -0.47750  1.0 1.0
   53    49    51    57   3.77950  1.0 1.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    46   3.69350  1.0 1.0
   44    39    41    46  -1.82950 -1.0 2.0
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
END
