* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    149    218     437
    1     0 S   NP   _N1_     1    29.06716    93.07432   -20.57248
    2     1 S   H    _HN1     2     1.02836    21.70554   138.10154
    3     1 S   H    _H1_     3     1.02784    88.53596   -68.68038
    4     1 S   H    _H2_     4     1.02950   105.23539    39.87006
    5     1 S   CT   _CA1     5     1.50080   129.23809   173.56818
    6     5 S   HC   _HA1     6     1.09579   105.28495    46.18852
    7     5 S   CO3  _C1_     7     1.53869   112.11833   -74.02320
    8     7 S   O2Z  _O11     8     1.26355   115.09353   -51.47348
    9     7 S   O2Z  _O12     9     1.26234   114.91016   127.65813
   10     5 S   CT   _CB1    10     1.53097   107.40336   163.96771
   11    10 S   HC   HB11    11     1.09813   109.52233   -50.87226
   12    10 S   HC   HB12    12     1.09822   110.44956    65.76023
   13    10 S   CT   _CG1    13     1.52924   112.43112  -171.98097
   14    13 S   HC   HG11    14     1.09412   110.25480   -57.68715
   15    13 S   HC   HG12    15     1.09629   110.21076    61.14651
   16    13 S   C    _CD1    16     1.51762   112.05219  -178.87100
   17    16 S   O    _OE1    17     1.22753   123.08272   -18.88234
   18    16 S   N    _N2_    18     1.38567   111.83293   162.46530
   19    18 S   H    _HN2    19     1.01620   119.00626     0.16669
   20    18 S   CT1  _CA2    20     1.46022   123.43739   178.15644
   21    20 S   HC   _HA2    21     1.09708   109.39421    -8.18976
   22    20 S   C    _C2_    22     1.53660   108.17322  -123.46437
   23    22 S   O    _O2_    23     1.23033   122.30377  -151.60272
   24    20 S   CT   _CB2    32     1.53366   111.94542   114.21515
   25    24 S   HC   HB21    33     1.09575   110.82422    52.61941
   26    24 S   HC   HB22    34     1.09533   110.05724   170.42722
   27    22 S   N    _N3_    24     1.38326   113.63605    35.83842
   28    27 S   H    _HN3    25     1.01626   119.34994    -3.31021
   29    24 S   S    _SG2    35     1.82757   114.04047   -70.89409
   30    27 S   CT   _CA3    26     1.45324   123.45782   176.86506
   31    30 S   HC   HA31    27     1.09539   107.41572   -67.67991
   32    30 S   HC   HA32    28     1.09496   108.23009    48.80926
   33    29 S   OS   _O35    36     1.66709    99.68514    71.66430
   34    30 S   CO3  _C3_    29     1.52977   113.92835   171.01933
   35    34 S   O2Z  _O31    30     1.26387   116.02081     1.71521
   36    34 S   O2Z  _O32    31     1.26406   114.50597  -178.30869
   37    33 S   CT   _C9_    37     1.43489   115.82909    87.41245
   38    37 S   HC   _H3_    38     1.09629   110.34945   -20.86104
   39    37 S   CM   _C10    39     1.50589   106.15172  -139.28913
   40    39 S   HC   _H13    40     1.08876   117.10444   -68.03790
   41    37 S   CM   _C8_    71     1.50559   108.53564   101.27462
   42    41 S   HC   _H12    72     1.08974   115.72674    48.37273
   43    39 S   CM   _C11    41     1.34184   123.03119   108.39040
   44    43 S   HC   _H14    42     1.08585   118.90919     1.45347
   45    41 S   CM   _C7_    73     1.34256   127.24775  -130.29388
   46    45 S   HC   _H11    74     1.08895   117.30280   178.58376
   47    43 S   CM   _C12    43     1.44458   123.09591  -175.64490
   48    47 S   HC   _H15    44     1.08873   116.63306    -5.65783
   49    45 S   CT   _C6_    75     1.50102   127.29759    -2.34477
   50    49 S   HC   _H9_    76     1.09712   108.11796  -134.40034
   51    49 S   HC   _H10    77     1.09478   111.63211   -18.36909
   52    47 S   CM   _C13    45     1.34242   125.69174   172.02770
   53    52 S   HC   _H16    46     1.08882   117.33646  -177.81430
   54    49 S   CT   _C5_    78     1.52817   111.23338   105.01814
   55    54 S   HC   _H7_    79     1.09682   110.12225    58.10630
   56    54 S   HC   _H8_    80     1.09681   110.03260   -59.68676
   57    52 S   CT   _C14    47     1.50257   127.16085     1.80081
   58    57 S   HC   _H17    48     1.09604   110.76782    35.29108
   59    57 S   HC   _H18    49     1.09715   108.26294   150.74061
   60    54 S   CT   _C4_    81     1.52068   111.43003   179.28591
   61    60 S   HC   _H4_    82     1.09471   110.98838    60.32453
   62    60 S   HC   _H5_    83     1.09467   111.00018   -60.20827
   63    60 S   HC   _H6_    84     1.09449   110.25762  -179.95577
   64    57 S   CT   _C15    50     1.53024   111.76357   -88.19034
   65    64 S   HC   _H19    51     1.09729   109.91413   -58.62645
   66    64 S   HC   _H20    52     1.09744   109.87442    58.78376
   67    64 S   CT   _C16    53     1.52976   111.09799   179.91377
   68    67 S   HC   _H21    54     1.09692   109.56120   -56.01558
   69    67 S   HC   _H22    55     1.09675   109.52354    61.24911
   70    67 S   CT   _C17    56     1.52921   111.42164  -177.17603
   71    70 S   HC   _H23    57     1.09668   109.71625   -58.13071
   72    70 S   HC   _H24    58     1.09616   109.38693    59.25142
   73    70 S   CT   _C18    59     1.52923   111.25329  -179.67434
   74    73 S   HC   _H25    60     1.09688   109.52851   -57.70673
   75    73 S   HC   _H26    61     1.09684   109.50428    59.49338
   76    73 S   CT   _C19    62     1.52988   111.51210  -179.04982
   77    76 S   HC   _H27    63     1.09705   109.56437    58.61136
   78    76 S   HC   _H28    64     1.09697   109.62171   -58.38560
   79    76 S   CT   _C20    65     1.52580   111.21205  -179.88297
   80    79 S   HC   _H29    66     1.09721   109.41109   -58.60455
   81    79 S   HC   _H30    67     1.09724   109.37000    58.58171
   82    79 S   CO3  _C21    68     1.53186   115.54278  -179.97202
   83    82 S   O2Z  _O34    69     1.26548   114.01414  -178.48148
   84    82 S   O2Z  _O33    70     1.26106   116.70351     1.56810
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   8   2   1   1  11   6   9   4   8   3   6   3   8   4   7   3
   9   5   4   8   4   6   5   4   9   5   4   3   2   1   1   9
   5   4   9   5   4   9   5   4   9   5   4   8   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    43    41    42    45  
   35    36  
   36  
    0  
   38    39    40    43    44    47    41    42    45    46    49  
   39    40    43    41    42    45  
   40    43    44    47    48    52    41    42    45  
   43    44    47    41  
   42    45    46    49    50    51    54    43  
   45    46    49  
   44    47    48    52    53    57  
   47    48    52  
   46    49    50    51    54    55    56    60  
   49    50    51    54  
   48    52    53    57    58    59    64  
   52    53    57  
   50    51    54    55    56    60    61    62    63  
   51    54    55    56    60  
   54    55    56    60  
   53    57    58    59    64    65    66    67  
   57    58    59    64  
   55    56    60    61    62    63  
   56    60    61    62    63  
   60    61    62    63  
   58    59    64    65    66    67    68    69    70  
   59    64    65    66    67  
   64    65    66    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   317.000  1.510
   39    40   340.000  1.080
   39    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   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    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   656.000  1.250
   82    84   656.000  1.250
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    85.00000  110.90400
   37    39    40    35.00000  117.00000
   37    39    43    70.00000  124.00000
   37    41    42    35.00000  117.00000
   37    41    45    70.00000  124.00000
   39    37    38    35.00000  109.50000
   39    43    44    35.00000  120.00000
   39    43    47    70.00000  123.01800
   43    39    40    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    52    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    52    53    35.00000  120.00000
   47    52    57    70.00000  124.00000
   52    47    48    35.00000  120.00000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    64    70.00000  112.02700
   57    52    53    35.00000  117.00000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    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    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    70.00000  109.69300
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    70.00000  117.00000
   79    82    84    70.00000  117.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   84    82    83    80.00000  126.00000
   41    37    38    35.00000  109.50000
   41    37    39    70.00000  110.12100
   41    45    46    35.00000  120.00000
   41    45    49    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    54    70.00000  112.02700
   49    45    46    35.00000  117.00000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    43   0.39000  1.0 1.0
   33    37    39    43  -0.05800 -1.0 2.0
   33    37    39    43  -0.55150  1.0 3.0
   33    37    41    42   0.00000  1.0 1.0
   33    37    41    45   0.39000  1.0 1.0
   33    37    41    45  -0.05800 -1.0 2.0
   33    37    41    45  -0.55150  1.0 3.0
   37    39    43    44   7.00000 -1.0 2.0
   37    39    43    47   7.00000 -1.0 2.0
   37    41    45    46   7.00000 -1.0 2.0
   37    41    45    49   7.00000 -1.0 2.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    43   0.00000  1.0 1.0
   38    37    41    42   0.33100  1.0 3.0
   38    37    41    45   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    45  -0.28300  1.0 1.0
   39    37    41    45   0.26700 -1.0 2.0
   39    37    41    45  -0.63300  1.0 3.0
   39    43    47    48  -0.18600  1.0 3.0
   39    43    47    52   0.28850  1.0 1.0
   39    43    47    52   2.61350 -1.0 2.0
   39    43    47    52   0.78400  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    52    53   7.00000 -1.0 2.0
   43    47    52    57   7.00000 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    52  -0.18600  1.0 3.0
   47    52    57    58   0.00000  1.0 1.0
   47    52    57    59   0.00000  1.0 1.0
   47    52    57    64   0.09850  1.0 1.0
   47    52    57    64   0.15250 -1.0 2.0
   47    52    57    64  -0.50650  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    57   7.00000 -1.0 2.0
   52    57    64    65   0.15000  1.0 3.0
   52    57    64    66   0.15000  1.0 3.0
   52    57    64    67   0.34400  1.0 1.0
   52    57    64    67   0.09450 -1.0 2.0
   52    57    64    67   0.11100  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.33100  1.0 3.0
   53    52    57    64   0.00000  1.0 1.0
   57    64    67    68   0.15000  1.0 3.0
   57    64    67    69   0.15000  1.0 3.0
   57    64    67    70   0.56750  1.0 1.0
   57    64    67    70  -0.07550 -1.0 2.0
   57    64    67    70   0.20000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.56750  1.0 1.0
   64    67    70    73  -0.07550 -1.0 2.0
   64    67    70    73   0.20000  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    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.56750  1.0 1.0
   70    73    76    79  -0.07550 -1.0 2.0
   70    73    76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82  -1.63150  1.0 1.0
   73    76    79    82  -0.43550 -1.0 2.0
   73    76    79    82   0.24500  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.41150 -1.0 2.0
   76    79    82    84   0.41150 -1.0 2.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82  -0.11250  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82  -0.11250  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    43  -0.28300  1.0 1.0
   41    37    39    43   0.26700 -1.0 2.0
   41    37    39    43  -0.63300  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    54   0.09850  1.0 1.0
   41    45    49    54   0.15250 -1.0 2.0
   41    45    49    54  -0.50650  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    49   7.00000 -1.0 2.0
   45    49    54    55   0.15000  1.0 3.0
   45    49    54    56   0.15000  1.0 3.0
   45    49    54    60   0.34400  1.0 1.0
   45    49    54    60   0.09450 -1.0 2.0
   45    49    54    60   0.11100  1.0 3.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    51   0.33100  1.0 3.0
   46    45    49    54   0.00000  1.0 1.0
   49    54    60    61   0.15000  1.0 3.0
   49    54    60    62   0.15000  1.0 3.0
   49    54    60    63   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    60   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    60   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    63   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
   35    30    34    36  10.50000 -1.0 2.0
   37    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   43    48    47    52  15.00000 -1.0 2.0
   57    53    52    47  15.00000 -1.0 2.0
   83    79    82    84  10.50000 -1.0 2.0
   37    42    41    45  15.00000 -1.0 2.0
   49    46    45    41  15.00000 -1.0 2.0
END
