* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    220     427
    1     0 S   NP   _N1_     1    28.75569    95.86568   -20.75927
    2     1 S   H    _HN1     2     1.02786    84.90859   -63.89782
    3     1 S   H    _H1_     3     1.02959    86.22020    44.84093
    4     1 S   H    _H2_     4     1.02840    38.46438   168.72205
    5     1 S   CT   _CA1     5     1.50092   149.24288   169.86719
    6     5 S   HC   _HA1     6     1.09597   105.20141    58.42021
    7     5 S   CO3  _C1_     7     1.53679   112.29963   -61.51414
    8     7 S   O2Z  _O11     8     1.26317   115.08551   -50.11702
    9     7 S   O2Z  _O12     9     1.26245   114.81252   129.03258
   10     5 S   CT   _CB1    10     1.53084   107.40710   175.89778
   11    10 S   HC   HB11    11     1.09815   108.92716   -54.30742
   12    10 S   HC   HB12    12     1.09816   110.60614    62.07381
   13    10 S   CT   _CG1    13     1.53016   112.73791  -175.64486
   14    13 S   HC   HG11    14     1.09566   110.22342   -67.25874
   15    13 S   HC   HG12    15     1.09654   110.11547    51.87441
   16    13 S   C    _CD1    16     1.51820   112.35198   171.83252
   17    16 S   O    _OE1    17     1.22735   123.17927    -8.48772
   18    16 S   N    _N2_    18     1.38653   111.75970   172.70276
   19    18 S   H    _HN2    19     1.01581   119.09866    -0.76515
   20    18 S   CT1  _CA2    20     1.46190   123.22965   177.38596
   21    20 S   HC   _HA2    21     1.09749   109.25732   -11.59383
   22    20 S   C    _C2_    22     1.53515   108.20557  -126.92848
   23    22 S   O    _O2_    23     1.23012   122.24494  -146.21452
   24    20 S   CT   _CB2    32     1.53396   112.05963   110.56172
   25    24 S   HC   HB21    33     1.09589   110.23029    55.67218
   26    24 S   HC   HB22    34     1.09439   109.71376   174.61391
   27    22 S   N    _N3_    24     1.38505   113.38007    41.12323
   28    27 S   H    _HN3    25     1.01526   118.91032    -0.82969
   29    24 S   S    _SG2    35     1.82605   111.93861   -65.30335
   30    27 S   CT   _CA3    26     1.45476   123.65267   175.18704
   31    30 S   HC   HA31    27     1.09513   109.47015    19.10056
   32    30 S   HC   HA32    28     1.09508   107.04633   136.15623
   33    29 S   CT   _C18    36     1.82951    99.50636  -178.78775
   34    33 S   HC   _H3_    37     1.09538   109.73349   -41.46767
   35    30 S   CO3  _C3_    29     1.52935   113.01919  -104.53833
   36    35 S   O2Z  _O31    30     1.26416   115.39058   -43.84511
   37    35 S   O2Z  _O32    31     1.26354   114.98731   137.05598
   38    33 S   CO4  _C11    38     1.50648   109.16901    75.73897
   39    38 S   O    _O23    39     1.22727   122.67877   -98.36036
   40    38 S   CA   _C7_    40     1.47451   116.39141    78.11121
   41    40 S   CA   _C6_    41     1.40915   117.78201    26.52355
   42    41 S   CA   _C8_    42     1.41683   116.02246  -174.94472
   43    41 S   CMA  _C10    52     1.52648   120.97329     8.01246
   44    43 S   OM   _O22    53     1.26843   119.02822   156.20244
   45    42 S   CA   _C4_    43     1.39920   122.27585    -0.97999
   46    45 S   HA   _H29    44     1.08680   120.24420   179.97202
   47    42 S   OH   _O25    50     1.37367   123.00047   178.59375
   48    47 S   HO   _H49    51     0.97559   107.35001     5.10196
   49    33 S   CM   _C12    54     1.51278   110.75564  -163.01335
   50    45 S   CA   _C5_    45     1.38820   120.06229    -0.42704
   51    50 S   HA   _H30    46     1.08618   119.90984  -179.67076
   52    49 S   CT   _C24    55     1.54255   114.83525    92.79593
   53    52 S   HC   _H48    56     1.09643   110.00797  -160.83812
   54    40 S   CA   _C9_    47     1.40589   120.37916  -150.33362
   55    52 S   CT   _C23    57     1.54217   110.59745    77.83520
   56    55 S   HC   _H46    58     1.09775   109.97550    47.69796
   57    55 S   HC   _H47    59     1.09435   110.61871   -69.09478
   58    52 S   OS   _O27    71     1.44914   108.86734   -41.38429
   59    54 S   OH   _O26    48     1.36891   123.35774    -3.44338
   60    59 S   HO   _H50    49     0.97372   108.89143    -5.38234
   61    55 S   CM   _C14    60     1.50647   112.25170   166.70964
   62    61 S   HC   _H32    61     1.08963   113.95520   -75.07705
   63    58 S   CO4  _C17    72     1.35782   118.47075  -138.76766
   64    63 S   O    _O24    73     1.21913   127.55819     3.21193
   65    61 S   CM   _C16    62     1.34682   127.85619   105.47175
   66    63 S   CM   _C13    74     1.47991   106.88454  -176.27785
   67    66 S   HC   _H31    75     1.08683   115.38985   -33.43744
   68    65 S   CT   _C21    63     1.50539   120.42965   178.97894
   69    68 S   HC   _H40    64     1.09493   110.29344   119.27672
   70    68 S   HC   _H41    65     1.09508   112.41598    -0.84163
   71    68 S   HC   _H42    66     1.09494   110.19789  -120.91485
   72    65 S   CT   _C22    67     1.50265   125.17774    -2.04507
   73    72 S   HC   _H43    68     1.09477   110.08372   114.32758
   74    72 S   HC   _H44    69     1.09211   113.56089    -6.79679
   75    72 S   HC   _H45    70     1.09543   110.04911  -126.39454
   76    66 S   CM   _C15    76     1.34506   124.45443   146.19802
   77    76 S   CT   _C19    77     1.50588   119.99730   178.79050
   78    77 S   HC   _H34    78     1.09497   110.27262   117.39137
   79    77 S   HC   _H35    79     1.09489   112.42669    -2.72663
   80    77 S   HC   _H36    80     1.09466   110.13786  -122.93147
   81    76 S   CT   _C20    81     1.50358   125.93899    -2.40688
   82    81 S   HC   _H37    82     1.09461   110.11723   109.11389
   83    81 S   HC   _H38    83     1.09177   113.60058   -12.62036
   84    81 S   HC   _H39    84     1.09570   110.06038  -131.62204
  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   8   5   4   3
  13   6   2   1   1  10   4  12  12  10   9   2   7   4   2   1
   8   4   2  11   6   2   9   5   4   6   1   1  10   3   6   3
   8  10   3   7   3   2   1   3   2   1   1   8   7   3   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    54    43    44    49    52    53    55    58  
   38    39    40    43    49    52  
   36    37  
   37  
    0  
   39    40    41    42    50    54    59    43    49    52  
   40    41    54    49  
   41    42    45    50    51    54    59    60    47    43    44    49  
   42    45    46    50    54    59    47    48    43    44    49    52  
   45    46    50    51    54    47    48    43    44    49  
   44    49    52    53    55    58    45    47    54  
   49    52  
   46    50    51    54    59    47    48  
   50    51    54    47  
   48    50  
    0  
   52    53    55    56    57    61    58    63  
   51    54    59    60  
   54    59  
   53    55    56    57    61    62    65    58    63    64    66  
   55    56    57    61    58    63  
   59    60  
   56    57    61    62    65    68    72    58    63  
   57    61    62    65    58  
   61    62    65    58  
   63    64    66    67    76    61  
   60  
    0  
   62    65    68    69    70    71    72    73    74    75  
   65    68    72  
   64    66    67    76    77    81  
   66    67    76  
   68    69    70    71    72    73    74    75  
   67    76    77    78    79    80    81    82    83    84  
   76    77    81  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   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  -0.335000   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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.522
   33    49   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    54   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    45   469.000  1.400
   42    47   450.000  1.364
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    59   450.000  1.364
   59    60   553.000  0.945
   47    48   553.000  0.945
   43    44   745.000  1.250
   43    49   465.000  1.376
   49    52   317.000  1.510
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   317.000  1.510
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    68   317.000  1.510
   65    72   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   58    63   214.000  1.327
   63    64   570.000  1.229
   63    66   320.000  1.462
   66    67   340.000  1.080
   66    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    49    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    43    70.00000  124.00000
   33    49    52    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    54    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    54    50    63.00000  120.00000
   40    54    59    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    47    70.00000  120.00000
   41    43    44    85.00000  114.86500
   41    43    49    60.00000  123.20500
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    47    48    35.00000  113.00000
   45    50    51    35.00000  120.00000
   45    50    54    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    54    59    70.00000  120.00000
   54    40    41    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    59    60    35.00000  113.00000
   47    42    45    70.00000  120.00000
   43    41    42    60.00000  120.93500
   43    49    52    70.00000  124.00000
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  109.06800
   49    43    44    65.00000  137.10300
   49    52    53    35.00000  109.50000
   49    52    55    70.00000  112.02700
   49    52    58    85.00000  110.90400
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    61    70.00000  112.02700
   52    58    63    83.00000  116.90000
   55    52    53    37.50000  110.70000
   55    61    62    35.00000  117.00000
   55    61    65    70.00000  124.00000
   57    55    56    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   61    65    68    70.00000  124.00000
   61    65    72    70.00000  124.00000
   65    61    62    35.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    68    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    55    50.00000  109.50000
   58    63    64    83.00000  123.40000
   58    63    66    90.00000  111.29400
   63    66    67    40.00000  117.72500
   63    66    76    65.00000  118.96000
   66    63    64    80.00000  123.72100
   66    76    77    70.00000  124.00000
   66    76    81    70.00000  124.00000
   76    66    67    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    43   0.42700  1.0 1.0
   29    33    49    43  -0.70350 -1.0 2.0
   29    33    49    43  -0.43150  1.0 3.0
   29    33    49    52   0.30250  1.0 1.0
   29    33    49    52  -0.14950 -1.0 2.0
   29    33    49    52   0.36900  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    54   2.26350  1.0 1.0
   33    38    40    54   0.76750 -1.0 2.0
   33    38    40    54   0.22500  1.0 3.0
   33    49    52    53   0.34800  1.0 3.0
   33    49    52    55   0.46850  1.0 1.0
   33    49    52    55   0.08550 -1.0 2.0
   33    49    52    55   0.09800  1.0 3.0
   33    49    52    58   0.09700  1.0 1.0
   33    49    52    58   0.15600 -1.0 2.0
   33    49    52    58  -0.50800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    43   0.00000  1.0 1.0
   34    33    49    52   0.34800  1.0 3.0
   38    33    49    43  -0.51250  1.0 1.0
   38    33    49    43  -0.88800 -1.0 2.0
   38    33    49    43   0.08850  1.0 3.0
   38    33    49    52   0.17250  1.0 1.0
   38    33    49    52  -0.04100 -1.0 2.0
   38    33    49    52  -0.33850  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    54    50   3.62500 -1.0 2.0
   38    40    54    59   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    54   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    47   3.62500 -1.0 2.0
   40    41    43    44  -0.01750  1.0 1.0
   40    41    43    44  -0.32000 -1.0 2.0
   40    41    43    44   0.00600  1.0 3.0
   40    41    43    49   0.15800  1.0 1.0
   40    41    43    49   1.85350 -1.0 2.0
   40    41    43    49  -0.48700  1.0 3.0
   40    54    59    60   0.84100 -1.0 2.0
   41    40    54    50   3.62500 -1.0 2.0
   41    40    54    59   3.62500 -1.0 2.0
   41    42    45    46   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    47    48   0.84100 -1.0 2.0
   41    43   -49    33   7.00000 -1.0 2.0
   41    43    49    52   7.00000 -1.0 2.0
   42    41    43    44  -0.01750  1.0 1.0
   42    41    43    44  -0.32000 -1.0 2.0
   42    41    43    44   0.00600  1.0 3.0
   42    41    43    49   0.15800  1.0 1.0
   42    41    43    49   1.85350 -1.0 2.0
   42    41    43    49  -0.48700  1.0 3.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    54   3.62500 -1.0 2.0
   45    42    47    48   0.84100 -1.0 2.0
   45    50   -54    40   3.62500 -1.0 2.0
   45    50    54    59   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    54   3.62500 -1.0 2.0
   50    54    59    60   0.84100 -1.0 2.0
   51    50    54    40   3.62500 -1.0 2.0
   51    50    54    59   3.62500 -1.0 2.0
   54    40   -41    42   3.62500 -1.0 2.0
   54    40    41    43   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    50   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    47   3.62500 -1.0 2.0
   43    49    52    53   0.00000  1.0 1.0
   43    49    52    55   0.09850  1.0 1.0
   43    49    52    55   0.15250 -1.0 2.0
   43    49    52    55  -0.50650  1.0 3.0
   43    49    52    58   0.39000  1.0 1.0
   43    49    52    58  -0.05800 -1.0 2.0
   43    49    52    58  -0.55150  1.0 3.0
   44    43    49    33   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    61   0.31000  1.0 1.0
   49    52    55    61   0.14700 -1.0 2.0
   49    52    55    61   0.07550  1.0 3.0
   49    52    58    63  -0.82050  1.0 1.0
   49    52    58    63   0.00600 -1.0 2.0
   49    52    58    63   0.04400  1.0 3.0
   52    55    61    62   0.00000  1.0 1.0
   52    55    61    65   0.09850  1.0 1.0
   52    55    61    65   0.15250 -1.0 2.0
   52    55    61    65  -0.50650  1.0 3.0
   52    58    63    64   3.00000 -1.0 2.0
   52    58    63    66   2.00000 -1.0 2.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    61   0.15000  1.0 3.0
   53    52    58    63   0.08050  1.0 3.0
   55    52    58    63  -0.25900  1.0 1.0
   55    52    58    63  -0.47000 -1.0 2.0
   55    52    58    63   0.11750  1.0 3.0
   55    61    65    68   7.00000 -1.0 2.0
   55    61    65    72   7.00000 -1.0 2.0
   56    55    61    62   0.33100  1.0 3.0
   56    55    61    65   0.00000  1.0 1.0
   57    55    61    62   0.33100  1.0 3.0
   57    55    61    65   0.00000  1.0 1.0
   61    65    68    69   0.00000  1.0 1.0
   61    65    68    70   0.00000  1.0 1.0
   61    65    68    71   0.00000  1.0 1.0
   61    65    72    73   0.00000  1.0 1.0
   61    65    72    74   0.00000  1.0 1.0
   61    65    72    75   0.00000  1.0 1.0
   62    61    65    68   7.00000 -1.0 2.0
   62    61    65    72   7.00000 -1.0 2.0
   68    65    72    73   0.34800  1.0 3.0
   68    65    72    74   0.34800  1.0 3.0
   68    65    72    75   0.34800  1.0 3.0
   72    65    68    69   0.34800  1.0 3.0
   72    65    68    70   0.34800  1.0 3.0
   72    65    68    71   0.34800  1.0 3.0
   58    52    55    56   0.23400  1.0 3.0
   58    52    55    57   0.23400  1.0 3.0
   58    52    55    61   0.61850  1.0 1.0
   58    52    55    61  -0.22750 -1.0 2.0
   58    52    55    61   0.15300  1.0 3.0
   58    63    66    67   1.63100 -1.0 2.0
   58    63    66    76  -0.56150  1.0 1.0
   58    63    66    76   2.19150 -1.0 2.0
   63    66    76    77   7.00000 -1.0 2.0
   63    66    76    81   7.00000 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    76   1.00000 -1.0 2.0
   66    76    77    78   0.00000  1.0 1.0
   66    76    77    79   0.00000  1.0 1.0
   66    76    77    80   0.00000  1.0 1.0
   66    76    81    82   0.00000  1.0 1.0
   66    76    81    83   0.00000  1.0 1.0
   66    76    81    84   0.00000  1.0 1.0
   67    66    76    77   7.00000 -1.0 2.0
   67    66    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    54    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    47    42    41   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   54    51    50    45   1.10000 -1.0 2.0
   50    59    54    40   4.00000 -1.0 2.0
   41    44    43    49   1.10000 -1.0 2.0
   33    52    49    43   1.10000 -1.0 2.0
   55    62    61    65  15.00000 -1.0 2.0
   68    72    65    61  15.00000 -1.0 2.0
   58    66    63    64  10.50000 -1.0 2.0
   63    67    66    76  15.00000 -1.0 2.0
   77    81    76    66  15.00000 -1.0 2.0
END
