* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    151    228     439
    1     0 S   NP   _N1_     1    28.54057    95.09424   -22.03867
    2     1 S   H    _HN1     2     1.02962    84.22729    29.13956
    3     1 S   H    _H1_     3     1.02834    31.68817   165.58005
    4     1 S   H    _H2_     4     1.02777    95.48502   -78.78543
    5     1 S   CT   _CA1     5     1.50126   141.12658   144.74245
    6     5 S   HC   _HA1     6     1.09578   105.21932    70.63416
    7     5 S   CO3  _C1_     7     1.53772   112.39378   -49.51622
    8     7 S   O2Z  _O11     8     1.26354   115.00225   -43.85154
    9     7 S   O2Z  _O12     9     1.26242   114.91397   135.29529
   10     5 S   CT   _CB1    10     1.53094   107.41225  -171.52168
   11    10 S   HC   HB11    11     1.09824   109.24895   -51.33701
   12    10 S   HC   HB12    12     1.09818   110.44152    65.17992
   13    10 S   CT   _CG1    13     1.53011   112.71268  -172.48219
   14    13 S   HC   HG11    14     1.09598   110.41201   -64.74144
   15    13 S   HC   HG12    15     1.09655   109.99446    54.47103
   16    13 S   C    _CD1    16     1.51830   112.33718   174.73806
   17    16 S   O    _OE1    17     1.22722   123.26709    -2.72628
   18    16 S   N    _N2_    18     1.38642   111.64732   177.65690
   19    18 S   H    _HN2    19     1.01583   119.00989     0.94647
   20    18 S   CT1  _CA2    20     1.46182   123.37388   179.28318
   21    20 S   HC   _HA2    21     1.09742   109.41954    -6.82145
   22    20 S   C    _C2_    22     1.53493   108.34299  -122.34340
   23    22 S   O    _O2_    23     1.23028   122.20518  -145.38683
   24    20 S   CT   _CB2    32     1.53559   111.66209   115.27741
   25    24 S   HC   HB21    33     1.09406   109.53228    55.69179
   26    24 S   HC   HB22    34     1.09355   109.46651   174.44194
   27    22 S   N    _N3_    24     1.38496   113.45759    41.95277
   28    27 S   H    _HN3    25     1.01510   118.95877    -0.54608
   29    24 S   S    _SG2    35     1.82956   111.38584   -65.64407
   30    27 S   CT   _CA3    26     1.45452   123.45081   175.10895
   31    30 S   HC   HA31    27     1.09523   109.26016    24.23232
   32    30 S   HC   HA32    28     1.09497   107.12411   141.24105
   33    29 S   CT   _C17    36     1.86713   102.02311   179.28263
   34    30 S   CO3  _C3_    29     1.52921   113.06327   -99.25542
   35    34 S   O2Z  _O31    30     1.26406   115.37973   -45.15579
   36    34 S   O2Z  _O32    31     1.26351   114.99843   135.75521
   37    33 S   CO4  _C11    37     1.54171   107.07630   178.99829
   38    37 S   O    _O23    38     1.22883   123.58969    24.97886
   39    33 S   CT   _C16    51     1.55206   112.75999    57.38377
   40    39 S   HC   _H31    52     1.09884   108.54596   -70.49086
   41    33 S   CT   _C21    80     1.54205   107.83808   -66.39949
   42    41 S   HC   _H41    81     1.09446   112.13043    70.72479
   43    41 S   HC   _H42    82     1.09693   111.66253   -51.11440
   44    41 S   HC   _H43    83     1.09621   111.74401  -169.61983
   45    37 S   CA   _C9_    39     1.48713   117.84671  -159.00686
   46    39 S   CT   _C22    53     1.54916   115.06479    51.56566
   47    46 S   HC   _H44    54     1.09254   110.35742    57.21333
   48    46 S   HC   _H45    55     1.09547   110.16846   -58.98521
   49    45 S   CA   _C7_    40     1.40039   119.47384  -172.26640
   50    49 S   HA   _H28    41     1.08717   121.18762    -1.45898
   51    46 S   CM   _C12    56     1.50716   112.88318  -176.98429
   52    51 S   HC   _H29    57     1.09000   113.61083    64.51456
   53    49 S   CA   _C5_    42     1.39594   120.12800   178.03487
   54    53 S   HA   _H26    43     1.08654   119.91162  -179.88986
   55    51 S   CM   _C14    58     1.34827   128.45725  -116.64637
   56    53 S   CA   _C4_    44     1.39352   120.14598    -0.21761
   57    56 S   HA   _H25    45     1.08641   120.00500  -179.82983
   58    55 S   CT   _C18    59     1.50438   124.95598     0.44191
   59    58 S   HC   _H32    60     1.09449   110.38029   112.40088
   60    58 S   HC   _H33    61     1.09524   110.08623  -127.98483
   61    58 S   HC   _H34    62     1.09131   113.75523    -8.17282
   62    55 S   CT   _C24    63     1.51978   119.65539  -177.38311
   63    62 S   HC   _H48    64     1.09809   107.96630   117.64282
   64    62 S   HC   _H49    65     1.09834   110.58530     2.78783
   65    56 S   CA   _C6_    46     1.39403   120.01788     0.35388
   66    65 S   HA   _H27    47     1.08609   119.05545   179.46222
   67    62 S   CT   _C23    66     1.53654   115.37787  -121.00424
   68    67 S   HC   _H46    67     1.09279   109.20634   -63.11606
   69    67 S   HC   _H47    68     1.09731   107.92987  -178.09782
   70    45 S   CA   _C8_    48     1.39637   121.03822     6.20081
   71    67 S   CM   _C13    69     1.50397   113.13091    63.01487
   72    71 S   HC   _H30    70     1.08978   114.29251    47.74337
   73    70 S   CO4  _C10    49     1.47628   120.30241     3.47305
   74    73 S   O    _O22    50     1.22660   120.63233  -162.81084
   75    71 S   CM   _C15    71     1.34697   127.92726  -133.08910
   76    75 S   CT   _C19    72     1.50642   120.29345  -179.92087
   77    76 S   HC   _H35    73     1.09495   110.21704   118.13785
   78    76 S   HC   _H36    74     1.09509   112.44284    -2.00993
   79    76 S   HC   _H37    75     1.09473   110.33082  -122.11279
   80    75 S   CT   _C20    76     1.50267   125.50773    -0.67115
   81    80 S   HC   _H38    77     1.09459   110.16681   117.49939
   82    80 S   HC   _H39    78     1.09538   109.97389  -123.31789
   83    80 S   HC   _H40    79     1.09137   113.79141    -3.35398
  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  12   5   4   3
  17   2   1   1  15   5  16   8   6   2   1   1  10  10   5   4
   8   4  11   3   6   3  11   5   3   7   3   2   1   8   5   4
   4   2   7   4   3   2  10   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    73    39    40    46    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    49    70    73    74    39    40    46    47    48    51    41    42    43    44  
   35    36  
   36  
    0  
   38    45    49    50    53    65    70    73    39    40    46    41    42    43    44  
   45    49    70    39    41  
   40    46    47    48    51    52    55    41    42    43    44    45    65    70    73    74  
   46    47    48    51    41    70    73    74  
   42    43    44    45    46    73  
   43    44  
   44  
    0  
   49    50    53    54    56    65    66    70    73    74  
   47    48    51    52    55    58    62    70    73    74  
   48    51    52    55    73  
   51    52    55    73  
   50    53    54    56    57    65    70    73  
   53    54    56    70  
   52    55    58    59    60    61    62    63    64    67    73  
   55    58    62  
   54    56    57    65    66    70  
   56    57    65  
   58    59    60    61    62    63    64    67    68    69    71  
   57    65    66    70    73  
   65    66    70  
   59    60    61    62    63    64    67  
   60    61    62  
   61    62  
   62  
   63    64    67    68    69    71    72    75  
   64    67    68    69    71  
   67    68    69    71  
   66    70    73    74  
   70    73  
   68    69    71    72    75    76    80  
   69    71    72    75  
   71    72    75  
   73    74  
   72    75    76    77    78    79    80    81    82    83  
   75    76    80  
   74  
    0  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.522
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    45   310.000  1.470
   45    49   469.000  1.400
   45    70   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    73   310.000  1.470
   73    74   570.000  1.229
   73    39   317.000  1.522
   39    40   340.000  1.090
   39    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    58   317.000  1.510
   55    62   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   317.000  1.510
   71    72   340.000  1.080
   71    75   549.000  1.340
   75    76   317.000  1.510
   75    80   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    65.00000  115.47100
   33    39    73    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    46    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    49    60.00000  119.52600
   37    45    70    60.00000  119.52600
   45    37    38    75.00000  123.78400
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   45    70    65    63.00000  120.00000
   45    70    73    60.00000  119.52600
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    65    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    65    66    35.00000  120.00000
   56    65    70    63.00000  120.00000
   65    56    57    35.00000  120.00000
   65    70    73    60.00000  119.52600
   70    45    49    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    73    74    75.00000  123.78400
   70    73    39    65.00000  115.47100
   73    39    40    35.00000  109.50000
   73    39    46    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    73    74    80.00000  120.40000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    51    70.00000  112.02700
   46    39    40    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    55    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    55    58    70.00000  124.00000
   51    55    62    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    67    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    58    65.00000  117.92700
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    70.00000  112.02700
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    72    35.00000  117.00000
   67    71    75    70.00000  124.00000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    75    76    70.00000  124.00000
   71    75    80    70.00000  124.00000
   75    71    72    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    45   0.65300  1.0 1.0
   29    33    37    45  -0.03850 -1.0 2.0
   29    33    37    45   0.33900  1.0 3.0
   29    33    39    73   0.56750  1.0 1.0
   29    33    39    73  -0.07550 -1.0 2.0
   29    33    39    73   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    49   2.26350  1.0 1.0
   33    37    45    49   0.76750 -1.0 2.0
   33    37    45    49   0.22500  1.0 3.0
   33    37    45    70   2.26350  1.0 1.0
   33    37    45    70   0.76750 -1.0 2.0
   33    37    45    70   0.22500  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    51   0.34400  1.0 1.0
   33    39    46    51   0.09450 -1.0 2.0
   33    39    46    51   0.11100  1.0 3.0
   37    33    39    73   0.11950  1.0 1.0
   37    33    39    73   0.20300 -1.0 2.0
   37    33    39    73  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    46  -0.95700  1.0 1.0
   37    33    39    46  -0.18200 -1.0 2.0
   37    33    39    46   0.29450  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    43  -0.11250  1.0 3.0
   37    33    41    44  -0.11250  1.0 3.0
   37    45    49    50   3.62500 -1.0 2.0
   37    45    49    53   3.62500 -1.0 2.0
   37    45    70    65   3.62500 -1.0 2.0
   37    45   -70    73   3.62500 -1.0 2.0
   38    37    45    49   1.05000 -1.0 2.0
   38    37    45    70   1.05000 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   45    70    73    74   1.05000 -1.0 2.0
   45    70    73    39   2.26350  1.0 1.0
   45    70    73    39   0.76750 -1.0 2.0
   45    70    73    39   0.22500  1.0 3.0
   49    45    70    65   3.62500 -1.0 2.0
   49    45    70    73   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53   -56    65   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56    65    66   3.62500 -1.0 2.0
   53    56    65    70   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    65   3.62500 -1.0 2.0
   56    65   -70    45   3.62500 -1.0 2.0
   56    65    70    73   3.62500 -1.0 2.0
   57    56    65    66   3.62500 -1.0 2.0
   57    56    65    70   3.62500 -1.0 2.0
   65    70    73    74   1.05000 -1.0 2.0
   65    70    73    39   2.26350  1.0 1.0
   65    70    73    39   0.76750 -1.0 2.0
   65    70    73    39   0.22500  1.0 3.0
   66    65    70    45   3.62500 -1.0 2.0
   66    65    70    73   3.62500 -1.0 2.0
   70    45    49    50   3.62500 -1.0 2.0
   70    45   -49    53   3.62500 -1.0 2.0
   70    73   -39    33   0.05850 -1.0 2.0
   70    73   -39    33   0.17250  1.0 3.0
   70    73    39    40   0.00000  1.0 1.0
   70    73    39    46   0.05850 -1.0 2.0
   70    73    39    46   0.17250  1.0 3.0
   73    39    46    47  -0.11250  1.0 3.0
   73    39    46    48  -0.11250  1.0 3.0
   73    39    46    51  -0.98800  1.0 1.0
   73    39    46    51   0.48800 -1.0 2.0
   73    39    46    51   0.76800  1.0 3.0
   74    73    39    33   0.30150 -1.0 2.0
   74    73    39    40   0.00000  1.0 1.0
   74    73    39    46   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    45   0.05850 -1.0 2.0
   39    33   -37    45   0.17250  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    46    51    52   0.00000  1.0 1.0
   39    46    51    55   0.09850  1.0 1.0
   39    46    51    55   0.15250 -1.0 2.0
   39    46    51    55  -0.50650  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    51   0.15000  1.0 3.0
   46    51    55    58   7.00000 -1.0 2.0
   46    51    55    62   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    55   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    55   0.00000  1.0 1.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55    58    61   0.00000  1.0 1.0
   51    55    62    63   0.00000  1.0 1.0
   51    55    62    64   0.00000  1.0 1.0
   51    55    62    67   0.09850  1.0 1.0
   51    55    62    67   0.15250 -1.0 2.0
   51    55    62    67  -0.50650  1.0 3.0
   52    51    55    58   7.00000 -1.0 2.0
   52    51    55    62   7.00000 -1.0 2.0
   55    62    67    68   0.15000  1.0 3.0
   55    62    67    69   0.15000  1.0 3.0
   55    62    67    71   0.31000  1.0 1.0
   55    62    67    71   0.14700 -1.0 2.0
   55    62    67    71   0.07550  1.0 3.0
   58    55    62    63   0.34800  1.0 3.0
   58    55    62    64   0.34800  1.0 3.0
   58    55    62    67   0.46850  1.0 1.0
   58    55    62    67   0.08550 -1.0 2.0
   58    55    62    67   0.09800  1.0 3.0
   62    55    58    59   0.34800  1.0 3.0
   62    55    58    60   0.34800  1.0 3.0
   62    55    58    61   0.34800  1.0 3.0
   62    67    71    72   0.00000  1.0 1.0
   62    67    71    75   0.09850  1.0 1.0
   62    67    71    75   0.15250 -1.0 2.0
   62    67    71    75  -0.50650  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    71   0.15000  1.0 3.0
   67    71    75    76   7.00000 -1.0 2.0
   67    71    75    80   7.00000 -1.0 2.0
   68    67    71    72   0.33100  1.0 3.0
   68    67    71    75   0.00000  1.0 1.0
   69    67    71    72   0.33100  1.0 3.0
   69    67    71    75   0.00000  1.0 1.0
   71    75    76    77   0.00000  1.0 1.0
   71    75    76    78   0.00000  1.0 1.0
   71    75    76    79   0.00000  1.0 1.0
   71    75    80    81   0.00000  1.0 1.0
   71    75    80    82   0.00000  1.0 1.0
   71    75    80    83   0.00000  1.0 1.0
   72    71    75    76   7.00000 -1.0 2.0
   72    71    75    80   7.00000 -1.0 2.0
   76    75    80    81   0.34800  1.0 3.0
   76    75    80    82   0.34800  1.0 3.0
   76    75    80    83   0.34800  1.0 3.0
   80    75    76    77   0.34800  1.0 3.0
   80    75    76    78   0.34800  1.0 3.0
   80    75    76    79   0.34800  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    45   0.05850 -1.0 2.0
   41    33    37    45   0.17250  1.0 3.0
   41    33    39    73  -0.95700  1.0 1.0
   41    33    39    73  -0.18200 -1.0 2.0
   41    33    39    73   0.29450  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    46   0.56750  1.0 1.0
   41    33    39    46  -0.07550 -1.0 2.0
   41    33    39    46   0.20000  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
   33    45    37    38  10.50000 -1.0 2.0
   49    70    45    37   4.00000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   65    57    56    53   1.10000 -1.0 2.0
   70    66    65    56   1.10000 -1.0 2.0
   65    73    70    45   4.00000 -1.0 2.0
   70    39    73    74  10.50000 -1.0 2.0
   46    52    51    55  15.00000 -1.0 2.0
   58    62    55    51  15.00000 -1.0 2.0
   67    72    71    75  15.00000 -1.0 2.0
   76    80    75    71  15.00000 -1.0 2.0
END
