* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    164    258     481
    1     0 S   NP   _N1_     1    28.71710    94.23002   -20.04086
    2     1 S   H    _HN1     2     1.02804    82.98804   -80.31447
    3     1 S   H    _H1_     3     1.02960    96.72912    27.25849
    4     1 S   H    _H2_     4     1.02847    32.11416   139.00117
    5     1 S   CT   _CA1     5     1.50082   141.24909   162.75236
    6     5 S   HC   _HA1     6     1.09572   105.31013    46.21492
    7     5 S   CO3  _C1_     7     1.53791   112.20505   -74.11128
    8     7 S   O2Z  _O11     8     1.26362   115.24628   -50.85304
    9     7 S   O2Z  _O12     9     1.26251   115.03086   128.56375
   10     5 S   CT   _CB1    10     1.53110   107.41771   164.07751
   11    10 S   HC   HB11    11     1.09824   109.54475   -50.52866
   12    10 S   HC   HB12    12     1.09828   110.31654    66.00172
   13    10 S   CT   _CG1    13     1.53052   112.66238  -171.61470
   14    13 S   HC   HG11    14     1.09612   110.37149   -58.48912
   15    13 S   HC   HG12    15     1.09618   110.15544    60.75297
   16    13 S   C    _CD1    16     1.51830   112.05625  -178.79423
   17    16 S   O    _OE1    17     1.22731   123.17529    -8.45995
   18    16 S   N    _N2_    18     1.38619   111.75272   171.38815
   19    18 S   H    _HN2    19     1.01580   119.09966     3.04600
   20    18 S   CT1  _CA2    20     1.46339   123.31673  -175.52617
   21    20 S   HC   _HA2    21     1.09728   109.36935   -14.11194
   22    20 S   C    _C2_    22     1.53338   108.46010  -130.02731
   23    22 S   O    _O2_    23     1.23004   122.23662  -145.56922
   24    20 S   CT   _CB2    32     1.53553   111.12481   107.77885
   25    24 S   HC   HB21    33     1.09546   109.37884    56.69009
   26    24 S   HC   HB22    34     1.09501   110.80726   175.40944
   27    22 S   N    _N3_    24     1.38506   113.32926    41.77655
   28    27 S   H    _HN3    25     1.01528   118.92521    -0.46182
   29    24 S   S    _SG2    35     1.82656   111.49346   -64.69805
   30    27 S   CT   _CA3    26     1.45453   123.41719   175.06862
   31    30 S   HC   HA31    27     1.09525   109.20187    24.91997
   32    30 S   HC   HA32    28     1.09494   107.12477   141.93094
   33    29 S   CT   _C24    36     1.82870    99.48378   158.33485
   34    33 S   F    F1__    37     1.36579   108.87238   -50.16685
   35    33 S   F    F2__    38     1.36433   108.44692    63.68211
   36    30 S   CO3  _C3_    29     1.52935   113.16586   -98.52599
   37    36 S   O2Z  _O31    30     1.26399   115.43432   -43.36032
   38    36 S   O2Z  _O32    31     1.26360   114.96048   137.58043
   39    33 S   CA   _C21    39     1.50994   110.11174  -172.48253
   40    39 S   CA   _C22    40     1.38937   121.21955   -98.88320
   41    40 S   HA   _H26    41     1.08667   120.92414    -0.39366
   42    40 S   CA   _C23    42     1.39096   119.58275   179.59218
   43    42 S   HA   _H27    43     1.08889   118.14839   179.96044
   44    42 S   CA   _C18    44     1.40905   121.25690    -0.31153
   45    44 S   CA   _C19    45     1.40659   121.00386    -0.37587
   46    44 S   S    _S1_    59     1.77549   115.62612  -178.90478
   47    39 S   CA   _C20    46     1.40828   119.98700    80.27122
   48    47 S   HA   _H25    47     1.08700   115.84383     1.40054
   49    45 S   NE   _N6_    48     1.42661   121.63947  -179.88636
   50    49 S   CA   _C12    49     1.42484   125.61128   -11.41698
   51    49 S   CT   _C11    60     1.48381   117.00183   166.96678
   52    51 S   HC   _H19    61     1.09785   110.64315   -33.63619
   53    51 S   HC   _H20    62     1.09753   111.38598  -146.26926
   54    50 S   CA   _C13    50     1.41470   122.44467  -168.04061
   55    54 S   HA   _H21    51     1.08576   121.83579     0.11535
   56    51 S   CT   _C10    63     1.53750   111.64225    89.95897
   57    56 S   HC   _H17    64     1.09559   110.34711    66.53161
   58    56 S   HC   _H18    65     1.09385   109.86897   -49.85690
   59    54 S   CA   _C14    52     1.39931   122.61523   179.33265
   60    59 S   HA   _H22    53     1.08639   119.89577  -179.90935
   61    56 S   CT   _C9_    66     1.52590   110.51854  -171.82236
   62    61 S   HC   _H15    67     1.09515   109.61793   -58.04847
   63    61 S   HC   _H16    68     1.09522   112.09646    63.83527
   64    59 S   CA   _C15    54     1.38361   119.99736    -0.06256
   65    64 S   HA   _H23    55     1.08553   120.46783   179.94766
   66    61 S   NP   _N5_    69     1.51592   111.04734  -175.74651
   67    66 S   H    _H10    70     1.02895   107.29151    48.06078
   68    64 S   CA   _C16    56     1.38896   119.16445    -0.00000
   69    68 S   HA   _H24    57     1.08864   118.26243   179.76593
   70    66 S   CT   _C6_    71     1.51415   113.65951   -71.04246
   71    70 S   HC   _H8_    72     1.09289   108.03813    59.14209
   72    70 S   HC   _H9_    73     1.09600   107.76204   -59.28304
   73    50 S   CA   _C17    58     1.40927   121.46007    11.02366
   74    70 S   CT   _C5_    74     1.52880   109.55307   178.59570
   75    74 S   HC   _H6_    75     1.09674   107.97963   177.83725
   76    74 S   HC   _H7_    76     1.09832   109.54388   -65.74504
   77    74 S   NT   _N4_    77     1.46837   111.54670    57.29569
   78    77 S   CT   _C8_    78     1.46879   110.70210   -58.22549
   79    78 S   HC   _H13    79     1.09822   110.86936   -63.86918
   80    78 S   HC   _H14    80     1.09668   109.66894   177.88919
   81    77 S   CT   _C4_    84     1.46264   110.66480   178.72897
   82    81 S   HC   _H3_    85     1.09566   110.53695  -177.35603
   83    81 S   HC   _H4_    86     1.09601   112.22639    61.55773
   84    81 S   HC   _H5_    87     1.09566   110.53731   -59.52952
   85    66 S   CT   _C7_    81     1.51706   110.76693   164.43180
   86    85 S   HC   _H11    82     1.09572   107.65038    61.62543
   87    85 S   HC   _H12    83     1.09495   107.45709   -56.56659
  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
   9   4   3   2   1   1   9   8   4   7   3   9  11   8   4   1
  13  12  11   5   4   7   4   9   5   4   6   3  12   5   4   4
   3  14   8   2   1  11   6   5   1  11   4   3  10   9   5   4
   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49  
   41    42    43    44    45    47    48    46  
   42    43    44    47  
   43    44    45    47    49    73    46  
   44    45    46  
   45    47    48    49    50    68    73    46    51  
   47    48    49    50    54    73    46    51    52    53    56  
   47    49    50    54    64    68    69    73  
   48    49    50    51  
   49  
   50    54    55    59    68    73    51    52    53    56    57    58    61  
   54    55    59    60    64    68    69    73    51    52    53    56  
   52    53    56    57    58    61    62    63    66    54    73  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    68    73  
   59    60    64    73  
   57    58    61    62    63    66    67    70    85  
   58    61    62    63    66  
   61    62    63    66  
   60    64    65    68    69    73  
   64    65    68  
   62    63    66    67    70    71    72    74    78    85    86    87  
   63    66    67    70    85  
   66    67    70    85  
   65    68    69    73  
   68    69    73  
   67    70    71    72    74    75    76    77    78    79    80    85    86    87  
   70    71    72    74    78    85    86    87  
   69    73  
   73  
   71    72    74    75    76    77    78    85    86    87    81  
   72    74    75    76    77    85  
   74    75    76    77    85  
    0  
   75    76    77    78    79    80    85    81    82    83    84  
   76    77    78    81  
   77    78    81  
   78    79    80    85    86    87    81    82    83    84  
   79    80    85    86    87    81    82    83    84  
   80    85    86    87    81  
   85    86    87    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87  
   87  
    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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.6000   0.3550  -0.305000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   67   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.6450   1.4500   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    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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    46   250.000  1.760
   45    47   469.000  1.400
   45    49   481.000  1.340
   47    48   367.000  1.080
   49    50   481.000  1.340
   49    51   382.000  1.448
   50    54   469.000  1.400
   50    73   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    46   250.000  1.760
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   367.000  1.471
   66    67   434.000  1.010
   66    70   367.000  1.471
   66    85   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   382.000  1.448
   77    78   382.000  1.448
   77    81   382.000  1.448
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    45    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    46    85.00000  119.40000
   44    42    43    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    45    49    70.00000  120.10000
   44    46    73    90.00000  100.00000
   45    47    48    35.00000  120.00000
   45    49    50    50.00000  129.00000
   45    49    51    50.00000  120.00000
   47    39    40    63.00000  120.00000
   49    45    47    70.00000  120.10000
   49    50    54    70.00000  120.10000
   49    50    73    70.00000  120.10000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    56    80.00000  111.61500
   50    54    55    35.00000  120.00000
   50    54    59    63.00000  120.00000
   50    73    68    63.00000  120.00000
   50    73    46    85.00000  119.40000
   54    59    60    35.00000  120.00000
   54    59    64    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    68    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    73    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    73    46    85.00000  119.40000
   73    50    54    63.00000  120.00000
   73    68    69    35.00000  120.00000
   46    44    45    85.00000  119.40000
   51    49    50    50.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    66    80.00000  111.20000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    66    67    35.00000  109.50000
   61    66    70    75.00000  113.01200
   61    66    85    75.00000  113.01200
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    74    80.00000  111.20000
   66    85    78    80.00000  111.20000
   66    85    86    35.00000  109.50000
   66    85    87    35.00000  109.50000
   70    66    67    35.00000  109.50000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    56.20000  109.47000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    77    78    51.80000  107.20000
   74    77    81    51.80000  107.20000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    85    56.20000  109.47000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   78    85    86    37.50000  110.70000
   78    85    87    37.50000  110.70000
   80    78    79    33.00000  107.80000
   85    66    67    35.00000  109.50000
   85    66    70    75.00000  113.01200
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   87    85    86    33.00000  107.80000
   81    77    78    51.80000  107.20000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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    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   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    45   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    45   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    46    73   0.25000 -1.0 2.0
   42    44    46    73   0.25000 -1.0 4.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -47    39   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    49    50   0.17750 -1.0 2.0
   44    45    49    51  -1.00000  1.0 1.0
   44    45    49    51   1.25000 -1.0 2.0
   45    44    46    73   0.25000 -1.0 2.0
   45    44    46    73   0.25000 -1.0 4.0
   45    49    50    54   0.17750 -1.0 2.0
   45    49   -50    73   0.17750 -1.0 2.0
   45    49    51    52   0.00000  1.0 1.0
   45    49    51    53   0.00000  1.0 1.0
   45    49    51    56  -0.12500  1.0 1.0
   45    49    51    56  -0.12500 -1.0 2.0
   45    49    51    56   0.25000  1.0 3.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    45    49    50   0.17750 -1.0 2.0
   47    45    49    51  -1.00000  1.0 1.0
   47    45    49    51   1.25000 -1.0 2.0
   49    45    47    39   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    59   3.62500 -1.0 2.0
   49    50    73    68   3.62500 -1.0 2.0
   49    50    73    46   3.62500 -1.0 2.0
   49    51    56    57   0.22950  1.0 3.0
   49    51    56    58   0.22950  1.0 3.0
   49    51    56    61   1.26750  1.0 1.0
   49    51    56    61  -0.00950 -1.0 2.0
   49    51    56    61   0.30600  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    56  -0.12500  1.0 1.0
   50    49    51    56  -0.12500 -1.0 2.0
   50    49    51    56   0.25000  1.0 3.0
   50    54    59    60   3.62500 -1.0 2.0
   50    54    59    64   3.62500 -1.0 2.0
   50    73   -46    44   0.25000 -1.0 2.0
   50    73   -46    44   0.25000 -1.0 4.0
   54    50    73    68   3.62500 -1.0 2.0
   54    50    73    46   3.62500 -1.0 2.0
   54    59    64    65   3.62500 -1.0 2.0
   54    59   -64    68   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    64    68    69   3.62500 -1.0 2.0
   59    64    68    73   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    68   3.62500 -1.0 2.0
   64    68   -73    50   3.62500 -1.0 2.0
   64    68    73    46   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    73   3.62500 -1.0 2.0
   68    73    46    44   0.25000 -1.0 2.0
   68    73    46    44   0.25000 -1.0 4.0
   69    68    73    50   3.62500 -1.0 2.0
   69    68    73    46   3.62500 -1.0 2.0
   73    50    54    55   3.62500 -1.0 2.0
   73    50   -54    59   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44   -45    49   3.62500 -1.0 2.0
   51    49    50    54  -1.00000  1.0 1.0
   51    49    50    54   1.25000 -1.0 2.0
   51    49    50    73  -1.00000  1.0 1.0
   51    49    50    73   1.25000 -1.0 2.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    66   1.36600  1.0 1.0
   51    56    61    66  -0.11450 -1.0 2.0
   51    56    61    66   0.24250  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    66    67   0.17350  1.0 3.0
   56    61    66    70   0.47100  1.0 1.0
   56    61    66    85   0.47100  1.0 1.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    66   0.19200  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    66   0.19200  1.0 3.0
   61    66    70    71   0.15000  1.0 3.0
   61    66    70    72   0.15000  1.0 3.0
   61    66    70    74   0.47100  1.0 1.0
   61    66    85    78   0.47100  1.0 1.0
   61    66    85    86   0.15000  1.0 3.0
   61    66    85    87   0.15000  1.0 3.0
   62    61    66    67   0.13050  1.0 3.0
   62    61    66    70   0.15000  1.0 3.0
   62    61    66    85   0.15000  1.0 3.0
   63    61    66    67   0.13050  1.0 3.0
   63    61    66    70   0.15000  1.0 3.0
   63    61    66    85   0.15000  1.0 3.0
   66    70    74    75   0.19200  1.0 3.0
   66    70    74    76   0.19200  1.0 3.0
   66    70    74    77   0.99100  1.0 1.0
   66    70    74    77  -1.80900 -1.0 2.0
   67    66    70    71   0.13050  1.0 3.0
   67    66    70    72   0.13050  1.0 3.0
   67    66    70    74   0.17350  1.0 3.0
   67    66    85    78   0.17350  1.0 3.0
   67    66    85    86   0.13050  1.0 3.0
   67    66    85    87   0.13050  1.0 3.0
   70    66    85    78   0.47100  1.0 1.0
   70    66    85    86   0.15000  1.0 3.0
   70    66    85    87   0.15000  1.0 3.0
   70    74   -77    78   0.23450  1.0 1.0
   70    74   -77    78   0.02050 -1.0 2.0
   70    74   -77    78   0.25250  1.0 3.0
   70    74    77    81   0.58650  1.0 1.0
   70    74    77    81   0.12600 -1.0 2.0
   70    74    77    81   0.33350  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    77   0.15000  1.0 3.0
   74    77    78    79   0.28000  1.0 3.0
   74    77    78    80   0.28000  1.0 3.0
   74    77    78    85   0.23450  1.0 1.0
   74    77    78    85   0.02050 -1.0 2.0
   74    77    78    85   0.25250  1.0 3.0
   74    77    81    82   0.28000  1.0 3.0
   74    77    81    83   0.28000  1.0 3.0
   74    77    81    84   0.28000  1.0 3.0
   75    74    77    78   0.28000  1.0 3.0
   75    74    77    81   0.28000  1.0 3.0
   76    74    77    78   0.28000  1.0 3.0
   76    74    77    81   0.28000  1.0 3.0
   77    78   -85    66   0.99100  1.0 1.0
   77    78   -85    66  -1.80900 -1.0 2.0
   77    78    85    86   0.15000  1.0 3.0
   77    78    85    87   0.15000  1.0 3.0
   78    77    81    82   0.28000  1.0 3.0
   78    77    81    83   0.28000  1.0 3.0
   78    77    81    84   0.28000  1.0 3.0
   79    78    85    66   0.19200  1.0 3.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   80    78    85    66   0.19200  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    87   0.15000  1.0 3.0
   85    66    70    71   0.15000  1.0 3.0
   85    66    70    72   0.15000  1.0 3.0
   85    66   -70    74   0.47100  1.0 1.0
   81    77    78    79   0.28000  1.0 3.0
   81    77    78    80   0.28000  1.0 3.0
   81    77    78    85   0.58650  1.0 1.0
   81    77    78    85   0.12600 -1.0 2.0
   81    77    78    85   0.33350  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
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   45    48    47    39   1.10000 -1.0 2.0
   51    45    49    50   1.00000 -1.0 2.0
   54    73    50    49   4.00000 -1.0 2.0
   59    55    54    50   1.10000 -1.0 2.0
   64    60    59    54   1.10000 -1.0 2.0
   68    65    64    59   1.10000 -1.0 2.0
   73    69    68    64   1.10000 -1.0 2.0
   68    46    73    50   4.00000 -1.0 2.0
END
