* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    146    233     433
    1     0 S   NP   _N1_     1    28.96173    95.36614   -23.19507
    2     1 S   H    _HN1     2     1.02826    30.95466   143.77132
    3     1 S   H    _H1_     3     1.02793   103.28806  -113.47027
    4     1 S   H    _H2_     4     1.02942    80.03810    -6.72298
    5     1 S   CT   _CA1     5     1.50153   136.32096   102.44074
    6     5 S   HC   _HA1     6     1.09566   105.12633    80.56058
    7     5 S   CO3  _C1_     7     1.53830   112.61023   -39.57010
    8     7 S   O2Z  _O11     8     1.26387   115.00461   -36.56466
    9     7 S   O2Z  _O12     9     1.26237   115.00649   142.43257
   10     5 S   CT   _CB1    10     1.53048   107.38234  -161.34170
   11    10 S   HC   HB11    11     1.09842   109.50871   -47.50053
   12    10 S   HC   HB12    12     1.09754   110.32277    69.04052
   13    10 S   CT   _CG1    13     1.52988   112.66758  -168.31954
   14    13 S   HC   HG11    14     1.09546   110.83883   -66.09126
   15    13 S   HC   HG12    15     1.09653   109.64547    53.17038
   16    13 S   C    _CD1    16     1.51732   111.93588   173.97579
   17    16 S   O    _OE1    17     1.22762   123.12933    16.57484
   18    16 S   N    _N2_    18     1.38686   111.93976  -164.07249
   19    18 S   H    _HN2    19     1.01557   119.13484     2.79631
   20    18 S   CT1  _CA2    20     1.46082   123.21663   179.98022
   21    20 S   HC   _HA2    21     1.09575   109.02209     8.33498
   22    20 S   C    _C2_    22     1.53615   109.65434  -106.90604
   23    22 S   O    _O2_    23     1.23101   121.99086  -151.76145
   24    20 S   CT   _CB2    32     1.53499   111.87616   130.30853
   25    24 S   HC   HB21    33     1.09661   109.52525    69.45286
   26    24 S   HC   HB22    34     1.09580   110.72398  -173.41700
   27    22 S   N    _N3_    24     1.38231   114.01827    35.66814
   28    27 S   H    _HN3    25     1.01545   119.61174    -3.29343
   29    24 S   S    _SG2    35     1.82733   114.94169   -49.96514
   30    27 S   CT   _CA3    26     1.45282   123.31506   177.13263
   31    30 S   HC   HA31    27     1.09548   107.53153   -64.31647
   32    30 S   HC   HA32    28     1.09554   107.98025    52.14567
   33    29 S   CT   _C14    36     1.82471   100.24409   -65.49212
   34    33 S   HC   _H18    37     1.09436   108.32899   -68.29448
   35    33 S   HC   _H19    38     1.09357   110.29735    47.71037
   36    30 S   CO3  _C3_    29     1.52984   114.01667   174.13355
   37    36 S   O2Z  _O31    30     1.26389   116.06336    -0.36423
   38    36 S   O2Z  _O32    31     1.26420   114.42106   179.69353
   39    33 S   CM   _C13    39     1.51784   109.84340   168.80221
   40    39 S   CA   _C15    40     1.48775   113.63606   -83.51101
   41    39 S   CMA  _C12    51     1.36566   124.75202    99.42992
   42    41 S   OM   _O34    52     1.27039   125.80504   176.43965
   43    40 S   CA   _C16    41     1.40227   120.52522   104.98153
   44    43 S   HA   _H20    42     1.08730   120.48371     0.66969
   45    41 S   OS   _O33    53     1.41913   111.01419    -2.18212
   46    43 S   CA   _C17    43     1.39569   120.30056  -179.00181
   47    46 S   HA   _H21    44     1.08627   119.99945   179.59362
   48    45 S   CT   _C10    54     1.43629   116.34231  -142.10886
   49    48 S   HC   _H15    55     1.09738   110.02785   -49.96142
   50    46 S   CA   _C18    45     1.39375   120.05986    -0.32021
   51    50 S   HA   _H22    46     1.08620   119.93133   179.98022
   52    48 S   CT   _C11    56     1.54096   107.11054  -166.05730
   53    52 S   HC   _H16    57     1.09730   108.92970    73.46688
   54    52 S   HC   _H17    58     1.09852   109.65013   -41.41295
   55    48 S   CT   _C9_    69     1.54181   111.03632    72.09055
   56    55 S   HC   _H13    70     1.09760   109.59335    39.31227
   57    55 S   HC   _H14    71     1.09665   109.53925   -76.10743
   58    50 S   CA   _C19    47     1.39380   120.03605     0.13417
   59    58 S   HA   _H23    48     1.08602   119.99338   179.87489
   60    52 S   CT   _C5_    59     1.53442   112.92977  -164.01072
   61    60 S   HC   _H3_    60     1.09460   111.33694   178.64925
   62    40 S   CA   _C20    49     1.40169   120.24166   -74.35876
   63    62 S   HA   _H24    50     1.08722   120.52007    -0.80406
   64    60 S   CT   _C6_    61     1.52978   112.95793   -52.17229
   65    64 S   HC   _H9_    62     1.09492   112.50446   -35.56479
   66    64 S   HC   _H10    63     1.09651   110.25340  -154.78549
   67    64 S   CT   _C7_    64     1.53269   105.61559    87.07262
   68    67 S   HC   _H11    65     1.09649   109.45679   118.86915
   69    67 S   HC   _H12    66     1.09497   112.12109  -122.66717
   70    67 S   CT   _C8_    67     1.52987   105.62266     0.16786
   71    70 S   HC   _H4_    68     1.09462   113.57648   144.64265
   72    60 S   NP   _N4_    72     1.51664   106.19938    59.92342
   73    72 S   H    _H8_    73     1.02980   109.55748    40.77500
   74    72 S   CT   _C4_    74     1.49972   114.91588   159.97028
   75    74 S   HC   _H5_    75     1.09216   109.82969    58.95851
   76    74 S   HC   _H6_    76     1.09294   107.68297   179.67857
   77    74 S   HC   _H7_    77     1.09293   107.68343   -61.76771
  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  11  12   8   2   8   4  10   6   3  14
   8   5   3  15   6   5  12   5   4   3   2  15   8   1   1  10
   6   5   7   4   3   7   3   5   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  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    43    62    41    42    45  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    43    44    46    58    62    63    41    42    45    48  
   43    44    46    47    50    58    59    62    63    41    42    45  
   42    45    48    49    52    55    43    62  
   45    48  
   44    46    47    50    51    58    62    63  
   46    47    50    62  
   48    49    52    53    54    60    70    55    56    57  
   47    50    51    58    59    62  
   50    51    58  
   49    52    53    54    60    61    64    67    70    71    55    56    57    72  
   52    53    54    60    70    55    56    57  
   51    58    59    62    63  
   58    59    62  
   53    54    60    61    64    65    66    67    70    55    56    57    72    73    74  
   54    60    61    64    55    72  
   60    61    64    55    72  
   56    57    72    73    74    60    64    67    68    69    70    71  
   57    72    67    70    71  
   72    67    70    71  
   59    62    63  
   62    63  
   61    64    65    66    67    68    69    70    71    72    73    74    75    76    77  
   64    65    66    67    70    72    73    74  
   63  
    0  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    70    72  
   67    68    69    70    72  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   73   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   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   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   320.000  1.460
   39    41   465.000  1.376
   40    43   469.000  1.400
   40    62   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    72   367.000  1.471
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    55   268.000  1.529
   70    72   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   72    73   434.000  1.010
   72    74   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    65.00000  118.87000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    43    60.00000  120.93500
   39    40    62    60.00000  120.93500
   39    41    42    65.00000  137.10300
   39    41    45    80.00000  120.01400
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   40    62    58    63.00000  120.00000
   40    62    63    35.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    58    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    62    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    62    63    35.00000  120.00000
   62    40    43    63.00000  120.00000
   62    58    59    35.00000  120.00000
   41    39    40    60.00000  123.20500
   41    45    48    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    52    50.00000  109.50000
   45    48    55    50.00000  109.50000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    60    58.35000  112.70000
   48    55    70    58.35000  112.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   52    48    49    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    64    58.35000  112.70000
   52    60    72    80.00000  111.20000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    58.35000  112.70000
   60    72    70    75.00000  113.01200
   60    72    73    35.00000  109.50000
   60    72    74    75.00000  113.01200
   64    60    61    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    55    58.35000  112.70000
   67    70    72    80.00000  111.20000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    55    56    37.50000  110.70000
   70    55    57    37.50000  110.70000
   70    72    73    35.00000  109.50000
   70    72    74    75.00000  113.01200
   55    48    49    37.50000  110.70000
   55    48    52    58.35000  112.70000
   55    70    71    37.50000  110.70000
   57    55    56    33.00000  107.80000
   72    60    61    35.00000  109.50000
   72    60    64    80.00000  111.20000
   72    70    71    35.00000  109.50000
   72    70    55    80.00000  111.20000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   74    72    73    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    40    43  -0.02500  1.0 1.0
   33    39    40    43  -0.32150 -1.0 2.0
   33    39    40    43  -0.01500  1.0 3.0
   33    39    40    62  -0.02500  1.0 1.0
   33    39    40    62  -0.32150 -1.0 2.0
   33    39    40    62  -0.01500  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    45   7.00000 -1.0 2.0
   34    33    39    40   0.77000  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.77000  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    46   3.62500 -1.0 2.0
   39    40    62    58   3.62500 -1.0 2.0
   39    40    62    63   3.62500 -1.0 2.0
   39    41    45    48  -2.26850  1.0 1.0
   39    41    45    48   3.39050 -1.0 2.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    45   7.00000 -1.0 2.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    50   3.62500 -1.0 2.0
   43    40    62    58   3.62500 -1.0 2.0
   43    40    62    63   3.62500 -1.0 2.0
   43    46    50    51   3.62500 -1.0 2.0
   43    46   -50    58   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    50   3.62500 -1.0 2.0
   46    50    58    59   3.62500 -1.0 2.0
   46    50    58    62   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    58   3.62500 -1.0 2.0
   50    58   -62    40   3.62500 -1.0 2.0
   50    58    62    63   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    62   3.62500 -1.0 2.0
   59    58    62    40   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   62    40    43    44   3.62500 -1.0 2.0
   62    40   -43    46   3.62500 -1.0 2.0
   41    39    40    43   0.15800  1.0 1.0
   41    39    40    43   1.85350 -1.0 2.0
   41    39    40    43  -0.48700  1.0 3.0
   41    39    40    62   0.15800  1.0 1.0
   41    39    40    62   1.85350 -1.0 2.0
   41    39    40    62  -0.48700  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45    48    52  -0.46850  1.0 1.0
   41    45    48    52   0.09300 -1.0 2.0
   41    45    48    52  -0.12850  1.0 3.0
   41    45    48    55  -0.46850  1.0 1.0
   41    45    48    55   0.09300 -1.0 2.0
   41    45    48    55  -0.12850  1.0 3.0
   42    41    45    48   2.00000 -1.0 2.0
   45    48    52    53   0.23400  1.0 3.0
   45    48    52    54   0.23400  1.0 3.0
   45    48    52    60   0.62750  1.0 1.0
   45    48    52    60  -0.30950 -1.0 2.0
   45    48    52    60   0.27300  1.0 3.0
   45    48    55    70   0.62750  1.0 1.0
   45    48    55    70  -0.30950 -1.0 2.0
   45    48    55    70   0.27300  1.0 3.0
   45    48    55    56   0.23400  1.0 3.0
   45    48    55    57   0.23400  1.0 3.0
   48    52    60    61   0.15000  1.0 3.0
   48    52    60    64   0.56750  1.0 1.0
   48    52    60    64  -0.07550 -1.0 2.0
   48    52    60    64   0.20000  1.0 3.0
   48    52    60    72   1.36600  1.0 1.0
   48    52    60    72  -0.11450 -1.0 2.0
   48    52    60    72   0.24250  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    60   0.15000  1.0 3.0
   49    48    55    70   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   52    48    55    70   0.56750  1.0 1.0
   52    48    55    70  -0.07550 -1.0 2.0
   52    48    55    70   0.20000  1.0 3.0
   52    48    55    56   0.15000  1.0 3.0
   52    48    55    57   0.15000  1.0 3.0
   52    60    64    65   0.15000  1.0 3.0
   52    60    64    66   0.15000  1.0 3.0
   52    60    64    67   0.56750  1.0 1.0
   52    60    64    67  -0.07550 -1.0 2.0
   52    60    64    67   0.20000  1.0 3.0
   52    60   -72    70   0.47100  1.0 1.0
   52    60    72    73   0.17350  1.0 3.0
   52    60    72    74   0.47100  1.0 1.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   53    52    60    72   0.19200  1.0 3.0
   54    52    60    61   0.15000  1.0 3.0
   54    52    60    64   0.15000  1.0 3.0
   54    52    60    72   0.19200  1.0 3.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    69   0.15000  1.0 3.0
   60    64   -67    70   0.56750  1.0 1.0
   60    64   -67    70  -0.07550 -1.0 2.0
   60    64   -67    70   0.20000  1.0 3.0
   60    72    74    75   0.15000  1.0 3.0
   60    72    74    76   0.15000  1.0 3.0
   60    72    74    77   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    72    70   0.15000  1.0 3.0
   61    60    72    73   0.13050  1.0 3.0
   61    60    72    74   0.15000  1.0 3.0
   64    60   -72    70   0.47100  1.0 1.0
   64    60    72    73   0.17350  1.0 3.0
   64    60    72    74   0.47100  1.0 1.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    55   0.56750  1.0 1.0
   64    67    70    55  -0.07550 -1.0 2.0
   64    67    70    55   0.20000  1.0 3.0
   64    67   -70    72   1.36600  1.0 1.0
   64    67   -70    72  -0.11450 -1.0 2.0
   64    67   -70    72   0.24250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    55    48   0.56750  1.0 1.0
   67    70    55    48  -0.07550 -1.0 2.0
   67    70    55    48   0.20000  1.0 3.0
   67    70    55    56   0.15000  1.0 3.0
   67    70    55    57   0.15000  1.0 3.0
   67    70   -72    60   0.47100  1.0 1.0
   67    70    72    73   0.17350  1.0 3.0
   67    70    72    74   0.47100  1.0 1.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    55   0.15000  1.0 3.0
   68    67    70    72   0.19200  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    55   0.15000  1.0 3.0
   69    67    70    72   0.19200  1.0 3.0
   70    72    74    75   0.15000  1.0 3.0
   70    72    74    76   0.15000  1.0 3.0
   70    72    74    77   0.15000  1.0 3.0
   71    70    55    48   0.15000  1.0 3.0
   71    70    55    56   0.15000  1.0 3.0
   71    70    55    57   0.15000  1.0 3.0
   71    70    72    60   0.15000  1.0 3.0
   71    70    72    73   0.13050  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    60   0.56750  1.0 1.0
   55    48    52    60  -0.07550 -1.0 2.0
   55    48    52    60   0.20000  1.0 3.0
   55    70   -72    60   0.47100  1.0 1.0
   55    70    72    73   0.17350  1.0 3.0
   55    70    72    74   0.47100  1.0 1.0
   72    60    64    65   0.19200  1.0 3.0
   72    60    64    66   0.19200  1.0 3.0
   72    60   -64    67   1.36600  1.0 1.0
   72    60   -64    67  -0.11450 -1.0 2.0
   72    60   -64    67   0.24250  1.0 3.0
   72    70   -55    48   1.36600  1.0 1.0
   72    70   -55    48  -0.11450 -1.0 2.0
   72    70   -55    48   0.24250  1.0 3.0
   72    70    55    56   0.19200  1.0 3.0
   72    70    55    57   0.19200  1.0 3.0
   73    72    74    75   0.13050  1.0 3.0
   73    72    74    76   0.13050  1.0 3.0
   73    72    74    77   0.13050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   43    62    40    39   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   58    51    50    46   1.10000 -1.0 2.0
   62    59    58    50   1.10000 -1.0 2.0
   58    63    62    40   1.10000 -1.0 2.0
   42    45    41    39  15.00000 -1.0 2.0
END
