* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    153    242     456
    1     0 S   NP   _N1_     1    29.84170    98.30109   -16.49333
    2     1 S   H    _HN1     2     1.02760    59.08050   -71.49319
    3     1 S   H    _H1_     3     1.02960    89.76086    40.28968
    4     1 S   H    _H2_     4     1.02823    60.69635   149.91887
    5     1 S   CT   _CA1     5     1.50244   160.01206  -141.09884
    6     5 S   HC   _HA1     6     1.09591   105.01896    -1.35696
    7     5 S   CO3  _C1_     7     1.53789   112.64738  -120.81399
    8     7 S   O2Z  _O11     8     1.26354   115.04274   -32.52549
    9     7 S   O2Z  _O12     9     1.26269   114.97764   146.22310
   10     5 S   CT   _CB1    10     1.53104   107.26756   116.23273
   11    10 S   HC   HB11    11     1.09823   108.92503   -50.92417
   12    10 S   HC   HB12    12     1.09777   110.41421    65.37725
   13    10 S   CT   _CG1    13     1.53006   113.02883  -172.13920
   14    13 S   HC   HG11    14     1.09585   110.41438   -70.19655
   15    13 S   HC   HG12    15     1.09674   109.90988    48.95162
   16    13 S   C    _CD1    16     1.51934   112.54173   169.00803
   17    16 S   O    _OE1    17     1.22728   123.28909     0.17804
   18    16 S   N    _N2_    18     1.38514   111.56935  -179.26113
   19    18 S   H    _HN2    19     1.01614   118.99720     0.55567
   20    18 S   CT1  _CA2    20     1.46025   123.62981   177.22413
   21    20 S   HC   _HA2    21     1.09688   109.43391   -10.90324
   22    20 S   C    _C2_    22     1.52830   106.35325  -127.97670
   23    22 S   O    _O2_    23     1.23008   122.86725   -28.00732
   24    20 S   CT   _CB2    32     1.53299   111.82943   112.85197
   25    24 S   HC   HB21    33     1.09361   109.22327    49.22346
   26    24 S   HC   HB22    34     1.09502   110.27883   167.72915
   27    22 S   N    _N3_    24     1.38461   112.71473   154.49337
   28    27 S   H    _HN3    25     1.01666   120.36766    -1.22253
   29    24 S   S    _SG2    35     1.82630   110.78822   -73.11153
   30    27 S   CT   _CA3    26     1.45357   122.39783   178.70941
   31    30 S   HC   HA31    27     1.09568   107.56702   -60.79932
   32    30 S   HC   HA32    28     1.09568   107.82194    55.48996
   33    29 S   CT   _C17    36     1.86596   102.86073   158.79507
   34    30 S   CO3  _C3_    29     1.52873   114.43486   177.41336
   35    34 S   O2Z  _O31    30     1.26319   116.10759    -1.66436
   36    34 S   O2Z  _O32    31     1.26452   114.38646   178.40627
   37    33 S   CT   _C12    37     1.57782   112.60707   -70.21033
   38    37 S   HC   _H32    38     1.09896   106.78794    39.38945
   39    33 S   CT   _C20    76     1.55398   104.62345   169.32309
   40    39 S   HC   _H43    77     1.09650   112.17028   -63.69269
   41    39 S   HC   _H44    78     1.09500   111.87045   175.74439
   42    39 S   HC   _H45    79     1.09594   112.24863    56.01957
   43    37 S   CT   _C10    39     1.56525   105.14521   150.97175
   44    43 S   HC   _H30    40     1.10187   105.89442  -113.67821
   45    37 S   CT   _C15    54     1.54340   117.01816   -78.48722
   46    45 S   HC   _H35    55     1.09696   110.73060   -65.05728
   47    43 S   CM   _C4_    41     1.51609   116.80532   129.47070
   48    43 S   CT   _C9_    70     1.54629   105.85787    -3.09933
   49    48 S   HC   _H28    71     1.09606   112.30205    95.27840
   50    48 S   HC   _H29    72     1.09809   110.73056  -145.58870
   51    47 S   CT   _C8_    42     1.50951   115.21072    69.46213
   52    51 S   HC   _H26    43     1.09822   110.29646    37.21944
   53    51 S   HC   _H27    44     1.09872   109.72896   150.83627
   54    47 S   CM   _C6_    67     1.34359   125.63578  -113.48601
   55    54 S   HC   _H24    68     1.08231   123.19492     1.79570
   56    54 S   HC   _H25    69     1.08619   120.88831  -178.72666
   57    33 S   CT   _C14    73     1.56944   113.12106    44.64715
   58    57 S   OM   _O18    74     1.32026   113.28620    77.27537
   59    57 S   HC   _H34    75     1.09929   108.03555   -56.43613
   60    51 S   CT   _C16    45     1.53242   113.60650   -86.81997
   61    60 S   HC   _H36    46     1.09846   110.10877   -57.72049
   62    60 S   CT   _C13    47     1.53901   113.16029    64.27480
   63    62 S   HC   _H33    48     1.09940   109.31273    58.08013
   64    60 S   OS   _O22    60     1.44735   107.32030  -176.63605
   65    62 S   CT   _C11    49     1.53480   113.08433   178.54196
   66    65 S   HC   _H31    50     1.09634   111.17065    36.74938
   67    64 S   CO4  _C7_    61     1.36301   117.54236    86.90748
   68    67 S   O    _O20    62     1.22313   126.43310    -0.47147
   69    65 S   CO4  _C5_    51     1.50477   102.40318   151.38921
   70    69 S   O    _O19    52     1.22112   126.12939   164.96649
   71    65 S   CT   _C19    56     1.52192   114.04905   -89.26315
   72    71 S   HC   _H40    57     1.09551   111.34205   -56.46243
   73    71 S   HC   _H41    58     1.09529   110.53980  -175.58013
   74    71 S   HC   _H42    59     1.09228   111.97642    64.82049
   75    67 S   CT   _C18    63     1.49838   109.48767   179.49024
   76    75 S   HC   _H37    64     1.09282   109.82563   -62.31876
   77    75 S   HC   _H38    65     1.09378   109.35864   178.57358
   78    75 S   HC   _H39    66     1.09293   109.84560    59.60217
   79    69 S   OS   _O21    53     1.36021   109.82288   -16.06891
  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  13   5   4   3
  19   2   1   1  24  10   9   3   2   1  19   8  16   6  14   7
   4   3  12   6   5   3   1   1   2   1   1  12   5  12   6   7
   8   7   5   4   6   2   4   2   1   1   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    48    57    58    59    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    62    79    45    46    48    49    50    57    58    59    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    51    60    62    63    65    69    79    45    46    54    48    49    50    57    58    59    39    40    41    42  
   43    44    47    62    79    45    46    48    57    39  
   40    41    42    43    45    48    57    58    59  
   41    42    57  
   42    57  
   57  
   44    47    51    52    53    60    62    79    45    46    54    55    56    48    49    50    57    58    59  
   47    51    45    54    48    49    50    57  
   46    71    64    48    57    47    51    60    61    62    63    65    66    69    70    79  
   60    62    63    65    69    79  
   51    52    53    60    61    62    64    54    55    56    48    49    50    57  
   49    50    57    58    59    51    54  
   50    57    58    59  
   57    58    59  
   52    53    60    61    62    63    65    64    67    54    55    56  
   53    60    61    62    64    54  
   60    61    62    64    54  
   55    56    60  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    65    66    69    79    71    64    67    68    75  
   62    63    65    64    67  
   63    65    66    69    70    79    71    72    73    74    64    67  
   65    66    69    79    71    64  
   67    68    75    76    77    78    65  
   66    69    70    79    71    72    73    74  
   69    70    79    71    72    73    74  
   68    75    76    77    78  
   75    76    77    78  
   70    79    71    72    73    74  
   79    71  
   72    73    74    79  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   268.000  1.529
   47    51   317.000  1.510
   47    54   549.000  1.340
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    45   268.000  1.529
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    71   268.000  1.529
   69    70   570.000  1.229
   69    79   214.000  1.327
   79    45   320.000  1.410
   45    46   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   64    67   214.000  1.327
   67    68   570.000  1.229
   67    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   570.000  1.307
   57    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    57    48    58.35000  112.70000
   33    57    58    50.00000  109.50000
   33    57    59    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.02700
   37    43    48    58.35000  112.70000
   37    45    62    58.35000  112.70000
   37    45    79    50.00000  109.50000
   37    45    46    37.50000  110.70000
   43    37    38    37.50000  110.70000
   43    47    51    65.00000  117.92700
   43    47    54    70.00000  124.00000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    57    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    60    70.00000  112.02700
   47    54    55    35.00000  120.00000
   47    54    56    35.00000  120.00000
   51    60    61    37.50000  110.70000
   51    60    62    58.35000  112.70000
   51    60    64    50.00000  109.50000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    65    58.35000  112.70000
   60    62    45    58.35000  112.70000
   60    64    67    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    69    63.00000  111.10000
   62    65    71    58.35000  112.70000
   62    45    79    50.00000  109.50000
   62    45    46    37.50000  110.70000
   65    62    63    37.50000  110.70000
   65    69    70    80.00000  120.40000
   65    69    79    81.00000  111.40000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   69    65    66    35.00000  109.50000
   69    79    45    83.00000  116.90000
   79    69    70    83.00000  123.40000
   79    45    46    35.00000  109.50000
   45    37    38    37.50000  110.70000
   45    37    43    58.35000  112.70000
   45    62    63    37.50000  110.70000
   45    62    65    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    65    69    63.00000  111.10000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   64    67    68    83.00000  123.40000
   64    67    75    81.00000  111.40000
   67    75    76    35.00000  109.50000
   67    75    77    35.00000  109.50000
   67    75    78    35.00000  109.50000
   75    67    68    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   54    47    51    70.00000  124.00000
   56    54    55    35.00000  117.00000
   48    43    44    37.50000  110.70000
   48    43    47    70.00000  112.02700
   48    57    58    50.00000  109.50000
   48    57    59    37.50000  110.70000
   50    48    49    33.00000  107.80000
   57    33    37    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   59    57    58    45.00000  125.66300
   39    33    37    58.35000  112.70000
   39    33    57    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.56750  1.0 1.0
   29    33    57    58  -0.07550 -1.0 2.0
   29    33    57    58   0.20000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47   0.34400  1.0 1.0
   33    37    43    47   0.09450 -1.0 2.0
   33    37    43    47   0.11100  1.0 3.0
   33    37   -43    48   0.56750  1.0 1.0
   33    37   -43    48  -0.07550 -1.0 2.0
   33    37   -43    48   0.20000  1.0 3.0
   33    37    45    62   0.56750  1.0 1.0
   33    37    45    62  -0.07550 -1.0 2.0
   33    37    45    62   0.20000  1.0 3.0
   33    37    45    79   0.62750  1.0 1.0
   33    37    45    79  -0.30950 -1.0 2.0
   33    37    45    79   0.27300  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   37    33   -57    48   0.56750  1.0 1.0
   37    33   -57    48  -0.07550 -1.0 2.0
   37    33   -57    48   0.20000  1.0 3.0
   37    33    57    58   0.62750  1.0 1.0
   37    33    57    58  -0.30950 -1.0 2.0
   37    33    57    58   0.27300  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    51   0.46850  1.0 1.0
   37    43    47    51   0.08550 -1.0 2.0
   37    43    47    51   0.09800  1.0 3.0
   37    43    47    54   0.09850  1.0 1.0
   37    43    47    54   0.15250 -1.0 2.0
   37    43    47    54  -0.50650  1.0 3.0
   37    43    48    49   0.15000  1.0 3.0
   37    43    48    50   0.15000  1.0 3.0
   37    43   -48    57   0.56750  1.0 1.0
   37    43   -48    57  -0.07550 -1.0 2.0
   37    43   -48    57   0.20000  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.15000  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    62   0.15000  1.0 3.0
   38    37    45    79   0.23400  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   43    37    45    62   0.56750  1.0 1.0
   43    37    45    62  -0.07550 -1.0 2.0
   43    37    45    62   0.20000  1.0 3.0
   43    37    45    79   0.62750  1.0 1.0
   43    37    45    79  -0.30950 -1.0 2.0
   43    37    45    79   0.27300  1.0 3.0
   43    37    45    46   0.15000  1.0 3.0
   43    47    51    52   0.34800  1.0 3.0
   43    47    51    53   0.34800  1.0 3.0
   43    47    51    60   0.46850  1.0 1.0
   43    47    51    60   0.08550 -1.0 2.0
   43    47    51    60   0.09800  1.0 3.0
   43    47    54    55   7.00000 -1.0 2.0
   43    47    54    56   7.00000 -1.0 2.0
   43    48   -57    33   0.56750  1.0 1.0
   43    48   -57    33  -0.07550 -1.0 2.0
   43    48   -57    33   0.20000  1.0 3.0
   43    48    57    58   0.62750  1.0 1.0
   43    48    57    58  -0.30950 -1.0 2.0
   43    48    57    58   0.27300  1.0 3.0
   43    48    57    59   0.15000  1.0 3.0
   44    43    47    51   0.34800  1.0 3.0
   44    43    47    54   0.00000  1.0 1.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    57   0.15000  1.0 3.0
   47    43    48    49   0.15000  1.0 3.0
   47    43    48    50   0.15000  1.0 3.0
   47    43    48    57   0.34400  1.0 1.0
   47    43    48    57   0.09450 -1.0 2.0
   47    43    48    57   0.11100  1.0 3.0
   47    51    60    61   0.15000  1.0 3.0
   47    51    60    62   0.34400  1.0 1.0
   47    51    60    62   0.09450 -1.0 2.0
   47    51    60    62   0.11100  1.0 3.0
   47    51    60    64   0.61850  1.0 1.0
   47    51    60    64  -0.22750 -1.0 2.0
   47    51    60    64   0.15300  1.0 3.0
   51    47    54    55   7.00000 -1.0 2.0
   51    47    54    56   7.00000 -1.0 2.0
   51    60    62    63   0.15000  1.0 3.0
   51    60    62    65   0.56750  1.0 1.0
   51    60    62    65  -0.07550 -1.0 2.0
   51    60    62    65   0.20000  1.0 3.0
   51    60    62    45   0.56750  1.0 1.0
   51    60    62    45  -0.07550 -1.0 2.0
   51    60    62    45   0.20000  1.0 3.0
   51    60    64    67  -0.25900  1.0 1.0
   51    60    64    67  -0.47000 -1.0 2.0
   51    60    64    67   0.11750  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    64   0.23400  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    64   0.23400  1.0 3.0
   60    62    65    66   0.15000  1.0 3.0
   60    62    65    69  -0.95700  1.0 1.0
   60    62    65    69  -0.18200 -1.0 2.0
   60    62    65    69   0.29450  1.0 3.0
   60    62    65    71   0.56750  1.0 1.0
   60    62    65    71  -0.07550 -1.0 2.0
   60    62    65    71   0.20000  1.0 3.0
   60    62    45    37   0.56750  1.0 1.0
   60    62    45    37  -0.07550 -1.0 2.0
   60    62    45    37   0.20000  1.0 3.0
   60    62    45    79   0.62750  1.0 1.0
   60    62    45    79  -0.30950 -1.0 2.0
   60    62    45    79   0.27300  1.0 3.0
   60    62    45    46   0.15000  1.0 3.0
   60    64    67    68   3.00000 -1.0 2.0
   60    64    67    75   1.63150  1.0 1.0
   60    64    67    75   2.92000 -1.0 2.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    45   0.15000  1.0 3.0
   61    60    64    67   0.08050  1.0 3.0
   62    60    64    67  -0.25900  1.0 1.0
   62    60    64    67  -0.47000 -1.0 2.0
   62    60    64    67   0.11750  1.0 3.0
   62    65    69    70   0.30150 -1.0 2.0
   62    65   -69    79   0.36750  1.0 3.0
   62    65    71    72   0.15000  1.0 3.0
   62    65    71    73   0.15000  1.0 3.0
   62    65    71    74   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    69  -0.11250  1.0 3.0
   63    62    65    71   0.15000  1.0 3.0
   63    62    45    37   0.15000  1.0 3.0
   63    62    45    79   0.23400  1.0 3.0
   63    62    45    46   0.15000  1.0 3.0
   65    62    45    37   0.56750  1.0 1.0
   65    62    45    37  -0.07550 -1.0 2.0
   65    62    45    37   0.20000  1.0 3.0
   65    62   -45    79   0.62750  1.0 1.0
   65    62   -45    79  -0.30950 -1.0 2.0
   65    62   -45    79   0.27300  1.0 3.0
   65    62    45    46   0.15000  1.0 3.0
   65    69   -79    45   1.63150  1.0 1.0
   65    69   -79    45   2.92000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    79   0.00000  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   69    65    71    72  -0.11250  1.0 3.0
   69    65    71    73  -0.11250  1.0 3.0
   69    65    71    74  -0.11250  1.0 3.0
   69    79    45    37  -0.25900  1.0 1.0
   69    79    45    37  -0.47000 -1.0 2.0
   69    79    45    37   0.11750  1.0 3.0
   69    79   -45    62  -0.25900  1.0 1.0
   69    79   -45    62  -0.47000 -1.0 2.0
   69    79   -45    62   0.11750  1.0 3.0
   69    79    45    46   0.08050  1.0 3.0
   70    69    79    45   3.00000 -1.0 2.0
   45    37    43    44   0.15000  1.0 3.0
   45    37    43    47   0.34400  1.0 1.0
   45    37    43    47   0.09450 -1.0 2.0
   45    37    43    47   0.11100  1.0 3.0
   45    37    43    48   0.56750  1.0 1.0
   45    37    43    48  -0.07550 -1.0 2.0
   45    37    43    48   0.20000  1.0 3.0
   45    62    65    66   0.15000  1.0 3.0
   45    62   -65    69  -0.95700  1.0 1.0
   45    62   -65    69  -0.18200 -1.0 2.0
   45    62   -65    69   0.29450  1.0 3.0
   45    62    65    71   0.56750  1.0 1.0
   45    62    65    71  -0.07550 -1.0 2.0
   45    62    65    71   0.20000  1.0 3.0
   71    65    69    70   0.30150 -1.0 2.0
   71    65    69    79   0.36750  1.0 3.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    65   0.62750  1.0 1.0
   64    60    62    65  -0.30950 -1.0 2.0
   64    60    62    65   0.27300  1.0 3.0
   64    60    62    45   0.62750  1.0 1.0
   64    60    62    45  -0.30950 -1.0 2.0
   64    60    62    45   0.27300  1.0 3.0
   64    67    75    76   0.00000  1.0 1.0
   64    67    75    77   0.00000  1.0 1.0
   64    67    75    78   0.00000  1.0 1.0
   68    67    75    76   0.00000  1.0 1.0
   68    67    75    77   0.00000  1.0 1.0
   68    67    75    78   0.00000  1.0 1.0
   54    47    51    52   0.00000  1.0 1.0
   54    47    51    53   0.00000  1.0 1.0
   54    47    51    60   0.09850  1.0 1.0
   54    47    51    60   0.15250 -1.0 2.0
   54    47    51    60  -0.50650  1.0 3.0
   48    43    47    51   0.46850  1.0 1.0
   48    43    47    51   0.08550 -1.0 2.0
   48    43    47    51   0.09800  1.0 3.0
   48    43    47    54   0.09850  1.0 1.0
   48    43    47    54   0.15250 -1.0 2.0
   48    43    47    54  -0.50650  1.0 3.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.23400  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   50    48    57    33   0.15000  1.0 3.0
   50    48    57    58   0.23400  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    43   0.56750  1.0 1.0
   57    33   -37    43  -0.07550 -1.0 2.0
   57    33   -37    43   0.20000  1.0 3.0
   57    33    37    45   0.56750  1.0 1.0
   57    33    37    45  -0.07550 -1.0 2.0
   57    33    37    45   0.20000  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    42   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    57    48   0.56750  1.0 1.0
   39    33    57    48  -0.07550 -1.0 2.0
   39    33    57    48   0.20000  1.0 3.0
   39    33    57    58   0.62750  1.0 1.0
   39    33    57    58  -0.30950 -1.0 2.0
   39    33    57    58   0.27300  1.0 3.0
   39    33    57    59   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   43    51    47    54   1.10000 -1.0 2.0
   65    79    69    70  10.50000 -1.0 2.0
   64    75    67    68  10.50000 -1.0 2.0
   55    56    54    47   1.10000 -1.0 2.0
END
