* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    158    235     453
    1     0 S   NP   _N1_     1    28.32824    99.48628   -19.27840
    2     1 S   H    _HN1     2     1.02835    62.55437   148.01492
    3     1 S   H    _H1_     3     1.02773    81.33603   -96.53794
    4     1 S   H    _H2_     4     1.02959    63.42267    19.10724
    5     1 S   CT   _CA1     5     1.50149   166.36524    84.77201
    6     5 S   HC   _HA1     6     1.09561   105.22901   117.11810
    7     5 S   CO3  _C1_     7     1.53845   112.40224    -3.18266
    8     7 S   O2Z  _O11     8     1.26377   114.95083   -39.83288
    9     7 S   O2Z  _O12     9     1.26229   115.02028   139.29852
   10     5 S   CT   _CB1    10     1.53097   107.42979  -124.72009
   11    10 S   HC   HB11    11     1.09822   109.56155   -47.83385
   12    10 S   HC   HB12    12     1.09822   110.32092    68.82578
   13    10 S   CT   _CG1    13     1.52991   112.62372  -168.82037
   14    13 S   HC   HG11    14     1.09538   110.49962   -61.18201
   15    13 S   HC   HG12    15     1.09647   109.96679    57.93225
   16    13 S   C    _CD1    16     1.51844   112.31732   178.27876
   17    16 S   O    _OE1    17     1.22726   123.23146    -4.07804
   18    16 S   N    _N2_    18     1.38494   111.60789   175.89125
   19    18 S   H    _HN2    19     1.01549   118.94719     5.18716
   20    18 S   CT1  _CA2    20     1.45920   123.26296   179.21665
   21    20 S   HC   _HA2    21     1.09710   109.09157    16.67065
   22    20 S   C    _C2_    22     1.53001   107.57994  -100.27927
   23    22 S   O    _O2_    23     1.22960   123.07937   -20.17052
   24    20 S   CT   _CB2    32     1.53244   111.62537   139.66905
   25    24 S   HC   HB21    33     1.09587   110.22048    52.78967
   26    24 S   HC   HB22    34     1.09434   110.12483   172.05895
   27    22 S   N    _N3_    24     1.38599   112.33525   162.48396
   28    27 S   H    _HN3    25     1.01968   119.35248    -5.49647
   29    24 S   S    _SG2    35     1.82399   110.88583   -68.20609
   30    27 S   CT   _CA3    26     1.45376   122.90059   177.68776
   31    30 S   HC   HA31    27     1.09547   109.26179   -33.55309
   32    30 S   HC   HA32    28     1.09542   106.92612    82.77243
   33    29 S   CT   _C10    36     1.85408   100.50891   166.04734
   34    33 S   HC   _H5_    37     1.09764   105.68657   -59.49158
   35    30 S   CO3  _C3_    29     1.52748   112.89664  -155.21087
   36    35 S   O2Z  _O31    30     1.26336   115.21469  -123.35275
   37    35 S   O2Z  _O32    31     1.26422   115.33899    56.74893
   38    33 S   CT   _C11    38     1.54649   112.09838    57.64375
   39    38 S   HC   _H13    39     1.09704   109.33427  -177.46387
   40    38 S   HC   _H14    40     1.09689   109.06222   -63.91026
   41    33 S   CT1  _C9_    63     1.54972   108.77002  -175.76330
   42    41 S   HC   _H4_    64     1.09745   109.99334   -59.98021
   43    38 S   CT   _C12    41     1.53440   115.80515    59.53446
   44    43 S   HC   _H15    42     1.09550   110.16414    63.10349
   45    43 S   HC   _H16    43     1.09286   109.74554   -54.89599
   46    41 S   CO3  _C18    65     1.54575   110.10884  -179.34300
   47    46 S   O2Z  _O37    66     1.26469   115.45156   -60.41248
   48    46 S   O2Z  _O36    67     1.26380   114.99143   119.77175
   49    41 S   N    _N4_    68     1.47040   111.24737    59.72432
   50    49 S   H    _H12    69     1.01539   117.22258    50.89120
   51    43 S   CT   _C13    44     1.53313   110.68425  -175.91529
   52    51 S   HC   _H17    45     1.09607   109.96225    54.47427
   53    51 S   HC   _H18    46     1.09770   108.65624   -60.82953
   54    49 S   C    _C8_    70     1.37966   123.56835  -135.39586
   55    54 S   O    _O33    71     1.22481   126.39032     2.99970
   56    51 S   CT   _C14    47     1.52972   114.28159   178.60900
   57    56 S   HC   _H19    48     1.09529   109.62993   179.51101
   58    56 S   HC   _H20    49     1.09550   109.18119    62.90325
   59    54 S   C3T  _C7_    72     1.48655   112.98359  -175.40338
   60    59 S   HC   _H3_    73     1.08731   112.99637    70.63555
   61    56 S   S    _S1_    50     1.82686   115.94142   -57.87988
   62    59 S   C3T  _C6_    74     1.50952   120.21642  -147.74705
   63    62 S   HC   _H10    75     1.08424   117.56603  -139.82816
   64    62 S   HC   _H11    76     1.08426   118.59577     2.73717
   65    61 S   CT   _C15    51     1.83129   100.21782   -58.97997
   66    65 S   HC   _H21    52     1.09381   108.73393    63.06219
   67    65 S   HC   _H22    53     1.09558   108.29381   -54.01677
   68    59 S   C3T  _C5_    77     1.52228   121.60310   -76.89568
   69    65 S   CT   _C16    54     1.53142   112.24378  -175.35725
   70    69 S   HC   _H6_    55     1.09542   108.64528   174.15145
   71    68 S   CT   _C4_    78     1.50628   117.31224   143.04904
   72    71 S   HC   _H7_    79     1.09495   110.31740   -89.26809
   73    71 S   HC   _H8_    80     1.09455   110.37831   150.96621
   74    71 S   HC   _H9_    81     1.09539   112.05842    30.90182
   75    68 S   CT   _C19    82     1.50619   120.32334    -3.01986
   76    75 S   HC   _H26    83     1.09433   110.14581    84.03756
   77    75 S   HC   _H27    84     1.09480   112.50350   -36.79849
   78    75 S   HC   _H28    85     1.09503   110.30027  -156.67391
   79    69 S   CO3  _C17    56     1.54167   114.25972   -67.77265
   80    79 S   O2Z  _O35    57     1.26501   114.71107   139.56486
   81    79 S   O2Z  _O34    58     1.26269   115.79941   -41.54803
   82    69 S   NP   _N5_    59     1.50177   108.95899    61.25718
   83    82 S   H    _H23    60     1.02732   112.18925    61.13422
   84    82 S   H    _H24    61     1.02861   110.56776   -60.14346
   85    82 S   H    _H25    62     1.02907   109.92773  -178.21261
  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  10   5   4   3
  16   8   2   1   1  13   6   5  10   6   9   5   4   5   2   1
   7   3   7   5   4   9   4   7   3   2  13   6   7  11   4   3
  11   5   4   8   8   7   7   3   2   1   3   2   1   1   6   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    51    41    42    46    47    48    49    50    54  
   38    39    40    43    41    42    46    49  
   36    37  
   37  
    0  
   39    40    43    44    45    51    52    53    56    41    42    46    49  
   40    43    44    45    51    41  
   43    44    45    51    41  
   42    46    47    48    49    50    54    55    59    43  
   46    47    48    49    50    54  
   44    45    51    52    53    56    57    58    61  
   45    51    52    53    56  
   51    52    53    56  
   47    48    49    50    54  
   48    49  
   49  
   50    54    55    59    60    62    68  
   54    55    59  
   52    53    56    57    58    61    65  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    62    63    64    68    71    75  
   59    60    62    68  
   57    58    61    65    66    67    69  
   58    61    65  
   61    65  
   60    62    63    64    68    71    72    73    74    75    76    77    78  
   62    63    64    68    71    75  
   65    66    67    69    70    79    82  
   63    64    68    71    72    73    74    75    76    77    78  
   64    68    71    75  
   68    71    75  
   66    67    69    70    79    80    81    82    83    84    85  
   67    69    70    79    82  
   69    70    79    82  
   71    72    73    74    75    76    77    78  
   70    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   80   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   81   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   82   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.210000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   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   222.000  1.810
   61    65   222.000  1.810
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    79   317.000  1.522
   69    82   367.000  1.471
   79    80   656.000  1.250
   79    81   656.000  1.250
   82    83   434.000  1.010
   82    84   434.000  1.010
   82    85   434.000  1.010
   41    42   340.000  1.090
   41    46   317.000  1.522
   41    49   337.000  1.449
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   434.000  1.010
   49    54   490.000  1.335
   54    55   570.000  1.229
   54    59   295.000  1.481
   59    60   340.000  1.088
   59    62   260.000  1.509
   59    68   260.000  1.509
   62    63   340.000  1.088
   62    64   340.000  1.088
   62    68   260.000  1.509
   68    71   275.000  1.510
   68    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    63.00000  111.10000
   33    41    49    80.00000  109.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    56    58.35000  112.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    75.00000  111.63000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    65    62.00000   98.90000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    69    75.00000  111.63000
   65    69    70    37.50000  110.70000
   65    69    79    70.00000  109.69300
   65    69    82    80.00000  111.20000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    79    80    70.00000  117.00000
   69    79    81    70.00000  117.00000
   69    82    83    35.00000  109.50000
   69    82    84    35.00000  109.50000
   69    82    85    35.00000  109.50000
   79    69    70    35.00000  109.50000
   81    79    80    80.00000  126.00000
   82    69    70    35.00000  109.50000
   82    69    79    80.00000  109.26000
   84    82    83    35.00000  109.50000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    70.00000  117.00000
   41    46    48    70.00000  117.00000
   41    49    50    38.00000  118.40000
   41    49    54    50.00000  121.90000
   46    41    42    35.00000  109.50000
   48    46    47    80.00000  126.00000
   49    41    42    35.00000  109.50000
   49    41    46    63.00000  110.10000
   49    54    55    80.00000  122.90000
   49    54    59    75.00000  114.51300
   54    49    50    35.00000  119.80000
   54    59    60    40.00000  115.44000
   54    59    62    65.00000  116.19300
   54    59    68    65.00000  116.19300
   59    54    55    75.00000  122.66600
   59    62    63    37.50000  117.20000
   59    62    64    37.50000  117.20000
   59    62    68    10.00000   60.00500
   59    68    62    10.00000   60.00500
   59    68    71    60.00000  120.94000
   59    68    75    60.00000  120.94000
   62    59    60    37.50000  117.20000
   62    68    71    60.00000  120.94000
   62    68    75    60.00000  120.94000
   64    62    63    35.00000  114.30000
   68    59    60    37.50000  117.20000
   68    59    62    10.00000   60.00500
   68    62    63    37.50000  117.20000
   68    62    64    37.50000  117.20000
   68    71    72    45.00000  109.38400
   68    71    73    45.00000  109.38400
   68    71    74    45.00000  109.38400
   68    75    76    45.00000  109.38400
   68    75    77    45.00000  109.38400
   68    75    78    45.00000  109.38400
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46  -2.17200  1.0 1.0
   29    33    41    46  -0.85700 -1.0 2.0
   29    33    41    49   0.71400  1.0 1.0
   29    33    41    49   0.04300 -1.0 2.0
   29    33    41    49   0.01450  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    51   0.56750  1.0 1.0
   33    38    43    51  -0.07550 -1.0 2.0
   33    38    43    51   0.20000  1.0 3.0
   33    41    46    47   0.00000  1.0 1.0
   33    41    46    48   0.00000  1.0 1.0
   33    41    49    50   0.00000  1.0 1.0
   33    41    49    54   0.25950  1.0 1.0
   33    41    49    54   0.43850 -1.0 2.0
   33    41    49    54   2.61650  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46  -0.03800  1.0 3.0
   34    33    41    49   0.23200  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.84850  1.0 1.0
   38    33    41    46  -0.22800 -1.0 2.0
   38    33    41    46   0.29250  1.0 3.0
   38    33    41    49   0.42250  1.0 1.0
   38    33    41    49  -0.48100 -1.0 2.0
   38    33    41    49   0.35650  1.0 3.0
   38    43    51    52   0.15000  1.0 3.0
   38    43    51    53   0.15000  1.0 3.0
   38    43    51    56   0.56750  1.0 1.0
   38    43    51    56  -0.07550 -1.0 2.0
   38    43    51    56   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    51   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    51   0.15000  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    58   0.15000  1.0 3.0
   43    51    56    61   0.44750  1.0 1.0
   43    51    56    61  -0.17800 -1.0 2.0
   43    51    56    61   0.20200  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    56   0.15000  1.0 3.0
   51    56    61    65   0.01700  1.0 1.0
   51    56    61    65  -0.23550 -1.0 2.0
   51    56    61    65   0.21350  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    65    66   0.32350  1.0 3.0
   56    61    65    67   0.32350  1.0 3.0
   56    61    65    69   0.01700  1.0 1.0
   56    61    65    69  -0.23550 -1.0 2.0
   56    61    65    69   0.21350  1.0 3.0
   57    56    61    65   0.32350  1.0 3.0
   58    56    61    65   0.32350  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    79   0.56750  1.0 1.0
   61    65    69    79  -0.07550 -1.0 2.0
   61    65    69    79   0.20000  1.0 3.0
   61    65    69    82   0.56750  1.0 1.0
   61    65    69    82  -0.07550 -1.0 2.0
   61    65    69    82   0.20000  1.0 3.0
   65    69    79    80   0.41150 -1.0 2.0
   65    69    79    81   0.41150 -1.0 2.0
   65    69    82    83   0.17350  1.0 3.0
   65    69    82    84   0.17350  1.0 3.0
   65    69    82    85   0.17350  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    79  -0.11250  1.0 3.0
   66    65    69    82   0.19200  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    79  -0.11250  1.0 3.0
   67    65    69    82   0.19200  1.0 3.0
   70    69    79    80   0.00000  1.0 1.0
   70    69    79    81   0.00000  1.0 1.0
   70    69    82    83   0.13050  1.0 3.0
   70    69    82    84   0.13050  1.0 3.0
   70    69    82    85   0.13050  1.0 3.0
   79    69    82    83   0.17350  1.0 3.0
   79    69    82    84   0.17350  1.0 3.0
   79    69    82    85   0.17350  1.0 3.0
   82    69    79    80   0.30150 -1.0 2.0
   82    69    79    81   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    49    54    55   3.04450 -1.0 2.0
   41    49    54    59   1.15000  1.0 1.0
   41    49    54    59   3.04450 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    54   0.00000  1.0 1.0
   46    41    49    50   0.00000  1.0 1.0
   46    41    49    54  -0.29800  1.0 1.0
   46    41    49    54   0.13950 -1.0 2.0
   46    41    49    54  -2.45650  1.0 3.0
   49    41    46    47   0.00000  1.0 1.0
   49    41    46    48   0.00000  1.0 1.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    62   1.39750  1.0 1.0
   49    54    59    62  -0.07950 -1.0 2.0
   49    54    59    62  -0.18750  1.0 3.0
   49    54    59    68   1.39750  1.0 1.0
   49    54    59    68  -0.07950 -1.0 2.0
   49    54    59    68  -0.18750  1.0 3.0
   50    49    54    55   2.45000 -1.0 2.0
   50    49    54    59   2.45000 -1.0 2.0
   54    59    62    63  -0.11250  1.0 3.0
   54    59    62    64  -0.11250  1.0 3.0
   54    59   -62    68  -0.95700  1.0 1.0
   54    59   -62    68  -0.18200 -1.0 2.0
   54    59   -62    68   0.29450  1.0 3.0
   54    59   -68    62  -0.95700  1.0 1.0
   54    59   -68    62  -0.18200 -1.0 2.0
   54    59   -68    62   0.29450  1.0 3.0
   54    59    68    71  -0.95700  1.0 1.0
   54    59    68    71  -0.18200 -1.0 2.0
   54    59    68    71   0.29450  1.0 3.0
   54    59    68    75  -0.95700  1.0 1.0
   54    59    68    75  -0.18200 -1.0 2.0
   54    59    68    75   0.29450  1.0 3.0
   55    54    59    60   0.50000  1.0 3.0
   55    54    59    62   0.30150 -1.0 2.0
   55    54    59    68   0.30150 -1.0 2.0
   59    62   -68    71   0.07850  1.0 1.0
   59    62   -68    71  -0.03950 -1.0 2.0
   59    62   -68    71   0.67350  1.0 3.0
   59    62   -68    75   0.07850  1.0 1.0
   59    62   -68    75  -0.03950 -1.0 2.0
   59    62   -68    75   0.67350  1.0 3.0
   59    68    71    72   0.15000  1.0 3.0
   59    68    71    73   0.15000  1.0 3.0
   59    68    71    74   0.15000  1.0 3.0
   59    68    75    76   0.15000  1.0 3.0
   59    68    75    77   0.15000  1.0 3.0
   59    68    75    78   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59   -62    68   0.15000  1.0 3.0
   60    59   -68    62   0.15000  1.0 3.0
   60    59    68    71   0.15000  1.0 3.0
   60    59    68    75   0.15000  1.0 3.0
   62    59   -68    71   0.07850  1.0 1.0
   62    59   -68    71  -0.03950 -1.0 2.0
   62    59   -68    71   0.67350  1.0 3.0
   62    59   -68    75   0.07850  1.0 1.0
   62    59   -68    75  -0.03950 -1.0 2.0
   62    59   -68    75   0.67350  1.0 3.0
   62    68    71    72   0.15000  1.0 3.0
   62    68    71    73   0.15000  1.0 3.0
   62    68    71    74   0.15000  1.0 3.0
   62    68    75    76   0.15000  1.0 3.0
   62    68    75    77   0.15000  1.0 3.0
   62    68    75    78   0.15000  1.0 3.0
   63    62   -68    59   0.15000  1.0 3.0
   63    62    68    71   0.15000  1.0 3.0
   63    62    68    75   0.15000  1.0 3.0
   64    62   -68    59   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   64    62    68    75   0.15000  1.0 3.0
   68    59   -62    63   0.15000  1.0 3.0
   68    59   -62    64   0.15000  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   80    69    79    81  10.50000 -1.0 2.0
   47    41    46    48  10.50000 -1.0 2.0
   50    54    49    41   1.00000 -1.0 2.0
   49    59    54    55  10.50000 -1.0 2.0
END
