* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    245     465
    1     0 S   NP   _N1_     1    29.37927    91.80210   -24.38126
    2     1 S   H    _HN1     2     1.02959    93.99082    31.19459
    3     1 S   H    _H1_     3     1.02838    13.21050  -140.07051
    4     1 S   H    _H2_     4     1.02779   115.17699   -81.20611
    5     1 S   CT   _CA1     5     1.50116   114.98717   145.91062
    6     5 S   HC   _HA1     6     1.09575   105.23892    72.74355
    7     5 S   CO3  _C1_     7     1.53790   112.37083   -47.49224
    8     7 S   O2Z  _O11     8     1.26362   115.00181   -44.31472
    9     7 S   O2Z  _O12     9     1.26237   114.92119   134.87174
   10     5 S   CT   _CB1    10     1.53099   107.43592  -169.33539
   11    10 S   HC   HB11    11     1.09826   109.35554   -50.72695
   12    10 S   HC   HB12    12     1.09820   110.40949    65.82614
   13    10 S   CT   _CG1    13     1.53014   112.66937  -171.81938
   14    13 S   HC   HG11    14     1.09596   110.45301   -63.51427
   15    13 S   HC   HG12    15     1.09652   109.98087    55.71306
   16    13 S   C    _CD1    16     1.51816   112.30799   176.08869
   17    16 S   O    _OE1    17     1.22731   123.26296    -1.61882
   18    16 S   N    _N2_    18     1.38640   111.64911   178.47043
   19    18 S   H    _HN2    19     1.01588   119.06531     0.95736
   20    18 S   CT1  _CA2    20     1.46144   123.32732  -179.85065
   21    20 S   HC   _HA2    21     1.09750   109.32135    -9.00174
   22    20 S   C    _C2_    22     1.53432   108.62053  -124.54660
   23    22 S   O    _O2_    23     1.23026   122.18638  -146.82372
   24    20 S   CT   _CB2    32     1.53346   111.65541   112.89549
   25    24 S   HC   HB21    33     1.09598   110.29576    55.66689
   26    24 S   HC   HB22    34     1.09361   109.98302   174.53600
   27    22 S   N    _N3_    24     1.38492   113.46095    40.68923
   28    27 S   H    _HN3    25     1.01510   118.95075    -0.63674
   29    24 S   S    _SG2    35     1.82705   111.77369   -65.00138
   30    27 S   CT   _CA3    26     1.45440   123.38666   174.89324
   31    30 S   HC   HA31    27     1.09527   109.18193    25.69584
   32    30 S   HC   HA32    28     1.09493   107.14234   142.70486
   33    29 S   CT   _C19    36     1.84999    99.76840  -171.75269
   34    33 S   HC   _H3_    37     1.09924   103.44437   -17.90681
   35    30 S   CO3  _C3_    29     1.52931   113.13413   -97.72891
   36    35 S   O2Z  _O31    30     1.26401   115.42182   -43.97493
   37    35 S   O2Z  _O32    31     1.26358   114.97289   136.96413
   38    33 S   CT   _C17    38     1.56192   115.43584    97.58420
   39    38 S   HC   _H39    39     1.08475   109.20637   127.38459
   40    33 S   CT   _C20    62     1.58060   110.91888  -128.75881
   41    38 S   CT   _C16    40     1.54497   121.37046    -2.01810
   42    41 S   HC   _H38    41     1.09291   114.03859    22.49971
   43    40 S   CT   _C23    63     1.53942   111.92392   178.65419
   44    43 S   HC   _H48    64     1.09656   110.44101   -52.42157
   45    43 S   HC   _H49    65     1.09662   110.79089  -169.43756
   46    43 S   HC   _H50    66     1.09043   113.82784    69.22417
   47    40 S   OH   _O26    67     1.45856   103.96899    67.24130
   48    47 S   HO   _H51    68     0.97260   108.33837   176.75381
   49    41 S   CM   _C6_    42     1.49321   100.13118   -95.33145
   50    41 S   CT   _C18    49     1.56291   112.02199   144.51823
   51    50 S   HC   _H40    50     1.09843   109.43041    40.39541
   52    49 S   CO4  _C8_    43     1.47034   109.67826   -22.36408
   53    52 S   O    _O22    44     1.21685   127.26313  -169.10895
   54    49 S   CM   _C9_    46     1.33611   128.34833   153.47835
   55    54 S   HC   _H30    47     1.08502   120.75568     2.15758
   56    54 S   HC   _H31    48     1.08514   121.78978  -177.58654
   57    50 S   CT   _C13    51     1.55244   113.03880   -83.03013
   58    57 S   HC   _H33    52     1.09893   108.71248   -72.82269
   59    57 S   HC   _H34    53     1.09702   109.62449   173.45459
   60    50 S   OS   _O27    72     1.45153   108.17328   159.78224
   61    38 S   OS   _O25    45     1.45878   107.25306  -121.97271
   62    57 S   CM   _C5_    54     1.48104   114.20678    49.62524
   63    60 S   CO4  _C12    73     1.36029   117.45470  -152.03780
   64    63 S   O    _O23    74     1.21881   126.75358    -0.34035
   65    62 S   CM   _C4_    55     1.33038   128.25853   -93.75028
   66    65 S   HC   _H29    56     1.08085   124.66501    -4.84703
   67    63 S   CM   _C10    75     1.48202   107.10571   178.89979
   68    67 S   HC   _H32    76     1.08776   115.07175   -20.34412
   69    65 S   CT   _C15    57     1.47262   111.04016   170.01196
   70    69 S   HC   _H37    58     1.09680   109.07986   117.20622
   71    67 S   CM   _C11    77     1.34553   125.52731   160.79028
   72    69 S   CT   _C14    59     1.53558   115.25731  -120.48492
   73    72 S   HC   _H35    60     1.10122   105.59898  -173.14093
   74    72 S   HC   _H36    61     1.09860   108.21804   -62.99556
   75    69 S   OS   _O24    69     1.42982   104.02231     2.89509
   76    71 S   CT   _C21    78     1.50720   119.79782   177.41957
   77    76 S   HC   _H42    79     1.09499   110.32100   118.37072
   78    76 S   HC   _H43    80     1.09520   112.44767    -1.79885
   79    76 S   HC   _H44    81     1.09506   110.16303  -121.79144
   80    71 S   CT   _C22    82     1.50339   126.18467    -3.28456
   81    80 S   HC   _H45    83     1.09454   110.14720   105.19843
   82    80 S   HC   _H46    84     1.09164   113.53108   -16.83775
   83    80 S   HC   _H47    85     1.09584   110.12161  -135.58660
   84    62 S   CO4  _C7_    70     1.46778   124.83915    79.95471
   85    84 S   O    _O21    71     1.21814   125.66232     7.70561
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  16   7  15  16   8   9   4   3   2   5   1
  10  14   6   5   2   3   1   1  11   5   4   6   1   8   6   3
   9   5  10   3   7   5   8   4   2   1   2   7   3   2   1   3
   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    72    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    52    61    50    69    72    73    74    40    43    44    45    46    47    48  
   38    39    41    61    72    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    52    53    61    54    50    51    57    72    40    43    47    60  
   41    42    49    52    61    50    40  
   43    44    45    46    47    48    75    41    61    65    69    70    72    73    74  
   42    49    52    53    61    54    55    56    50    51    57    58    59    62    60    63  
   49    52    61    54    50    51    57    60  
   44    45    46    47    48    69    72    73    74  
   45    46    47    72  
   46    47    72  
   47    72  
   48    69    72    73    74  
   72  
   52    53    61    54    55    56    50    51    57    60  
   51    57    58    59    62    65    84    60    63    64    67    52    54    61  
   57    58    59    62    60    63  
   53    61    54    55    56  
   61    54  
   55    56    61  
   56  
    0  
   58    59    62    65    66    69    75    84    85    60    63  
   59    62    65    84    60  
   62    65    84    60  
   63    64    67    68    71    62  
    0  
   65    66    69    70    72    75    84    85  
   64    67    68    71    76    80  
   67    68    71  
   66    69    70    72    73    74    75    84    85  
   69    70    72    75    84  
   68    71    76    77    78    79    80    81    82    83  
   71    76    80  
   70    72    73    74    75    84    85  
   72    73    74    75    84  
   76    77    78    79    80    81    82    83  
   73    74    75    84  
   74    75  
   75  
   84    85  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    52   320.000  1.462
   49    54   549.000  1.340
   52    53   570.000  1.229
   52    61   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    65   549.000  1.340
   62    84   320.000  1.462
   65    66   340.000  1.080
   65    69   317.000  1.510
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   75    84   214.000  1.327
   84    85   570.000  1.229
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    67   320.000  1.462
   67    68   340.000  1.080
   67    71   549.000  1.340
   71    76   317.000  1.510
   71    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
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    72    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    52    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    52    65.00000  116.34900
   41    49    54    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    57    58.35000  112.70000
   41    50    60    50.00000  109.50000
   49    41    42    35.00000  109.50000
   49    52    53    80.00000  123.72100
   49    52    61    90.00000  111.29400
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    52    53    83.00000  123.40000
   54    49    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    62    70.00000  112.02700
   50    60    63    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    62    65    70.00000  124.00000
   57    62    84    65.00000  116.34900
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    65    66    35.00000  120.00000
   62    65    69    70.00000  124.00000
   62    84    75    90.00000  111.29400
   62    84    85    80.00000  123.72100
   65    69    70    35.00000  109.50000
   65    69    72    70.00000  112.02700
   65    69    75    85.00000  110.90400
   69    65    66    35.00000  117.00000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    40    58.35000  112.70000
   69    75    84    83.00000  116.90000
   72    69    70    37.50000  110.70000
   72    40    43    58.35000  112.70000
   72    40    47    50.00000  109.50000
   74    72    73    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    72    74    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   75    69    70    35.00000  109.50000
   75    69    72    50.00000  109.50000
   75    84    85    83.00000  123.40000
   84    62    65    65.00000  118.96000
   60    50    51    35.00000  109.50000
   60    50    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    67    90.00000  111.29400
   63    67    68    40.00000  117.72500
   63    67    71    65.00000  118.96000
   67    63    64    80.00000  123.72100
   67    71    76    70.00000  124.00000
   67    71    80    70.00000  124.00000
   71    67    68    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   71    80    81    35.00000  109.50000
   71    80    82    35.00000  109.50000
   71    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    71    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
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    52  -0.25900  1.0 1.0
   33    38    61    52  -0.47000 -1.0 2.0
   33    38    61    52   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    72   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    72   0.56750  1.0 1.0
   38    33    40    72  -0.07550 -1.0 2.0
   38    33    40    72   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    52   0.09700  1.0 1.0
   38    41   -49    52   0.15600 -1.0 2.0
   38    41   -49    52  -0.50800  1.0 3.0
   38    41    49    54   0.09850  1.0 1.0
   38    41    49    54   0.15250 -1.0 2.0
   38    41    49    54  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    57   0.56750  1.0 1.0
   38    41    50    57  -0.07550 -1.0 2.0
   38    41    50    57   0.20000  1.0 3.0
   38    41    50    60   0.62750  1.0 1.0
   38    41    50    60  -0.30950 -1.0 2.0
   38    41    50    60   0.27300  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    52   0.08050  1.0 3.0
   41    38   -61    52  -0.25900  1.0 1.0
   41    38   -61    52  -0.47000 -1.0 2.0
   41    38   -61    52   0.11750  1.0 3.0
   41    49    52    53  -0.64400  1.0 1.0
   41    49    52    53   0.26850 -1.0 2.0
   41    49   -52    61  -0.15000  1.0 1.0
   41    49   -52    61   0.89550 -1.0 2.0
   41    49   -52    61  -0.06900  1.0 3.0
   41    49    54    55   7.00000 -1.0 2.0
   41    49    54    56   7.00000 -1.0 2.0
   41    50    57    58   0.15000  1.0 3.0
   41    50    57    59   0.15000  1.0 3.0
   41    50    57    62   0.34400  1.0 1.0
   41    50    57    62   0.09450 -1.0 2.0
   41    50    57    62   0.11100  1.0 3.0
   41    50    60    63  -0.25900  1.0 1.0
   41    50    60    63  -0.47000 -1.0 2.0
   41    50    60    63   0.11750  1.0 3.0
   42    41    49    52   0.15000  1.0 3.0
   42    41    49    54   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    57   0.15000  1.0 3.0
   42    41    50    60   0.23400  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    57   0.34400  1.0 1.0
   49    41    50    57   0.09450 -1.0 2.0
   49    41    50    57   0.11100  1.0 3.0
   49    41    50    60   0.61850  1.0 1.0
   49    41    50    60  -0.22750 -1.0 2.0
   49    41    50    60   0.15300  1.0 3.0
   49    52   -61    38   2.00000 -1.0 2.0
   52    49    54    55   7.00000 -1.0 2.0
   52    49    54    56   7.00000 -1.0 2.0
   53    52    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   54    49    52    53   1.00000 -1.0 2.0
   54    49    52    61  -0.56150  1.0 1.0
   54    49    52    61   2.19150 -1.0 2.0
   50    41    49    52   0.09700  1.0 1.0
   50    41    49    52   0.15600 -1.0 2.0
   50    41    49    52  -0.50800  1.0 3.0
   50    41    49    54   0.09850  1.0 1.0
   50    41    49    54   0.15250 -1.0 2.0
   50    41    49    54  -0.50650  1.0 3.0
   50    57    62    65   0.09850  1.0 1.0
   50    57    62    65   0.15250 -1.0 2.0
   50    57    62    65  -0.50650  1.0 3.0
   50    57    62    84   0.09700  1.0 1.0
   50    57    62    84   0.15600 -1.0 2.0
   50    57    62    84  -0.50800  1.0 3.0
   50    60    63    64   3.00000 -1.0 2.0
   50    60    63    67   2.00000 -1.0 2.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    62   0.15000  1.0 3.0
   51    50    60    63   0.08050  1.0 3.0
   57    50    60    63  -0.25900  1.0 1.0
   57    50    60    63  -0.47000 -1.0 2.0
   57    50    60    63   0.11750  1.0 3.0
   57    62    65    66   7.00000 -1.0 2.0
   57    62    65    69   7.00000 -1.0 2.0
   57    62    84    75  -0.15000  1.0 1.0
   57    62    84    75   0.89550 -1.0 2.0
   57    62    84    75  -0.06900  1.0 3.0
   57    62    84    85  -0.64400  1.0 1.0
   57    62    84    85   0.26850 -1.0 2.0
   58    57    62    65   0.00000  1.0 1.0
   58    57    62    84   0.15000  1.0 3.0
   59    57    62    65   0.00000  1.0 1.0
   59    57    62    84   0.15000  1.0 3.0
   62    65    69    70   0.00000  1.0 1.0
   62    65    69    72   0.09850  1.0 1.0
   62    65    69    72   0.15250 -1.0 2.0
   62    65    69    72  -0.50650  1.0 3.0
   62    65   -69    75   0.39000  1.0 1.0
   62    65   -69    75  -0.05800 -1.0 2.0
   62    65   -69    75  -0.55150  1.0 3.0
   65    62   -84    75  -0.56150  1.0 1.0
   65    62   -84    75   2.19150 -1.0 2.0
   65    62    84    85   1.00000 -1.0 2.0
   65    69    72    73   0.15000  1.0 3.0
   65    69    72    74   0.15000  1.0 3.0
   65    69    72    40   0.34400  1.0 1.0
   65    69    72    40   0.09450 -1.0 2.0
   65    69    72    40   0.11100  1.0 3.0
   65    69   -75    84  -0.82050  1.0 1.0
   65    69   -75    84   0.00600 -1.0 2.0
   65    69   -75    84   0.04400  1.0 3.0
   66    65    69    70   0.33100  1.0 3.0
   66    65    69    72   0.00000  1.0 1.0
   66    65    69    75   0.00000  1.0 1.0
   69    72    40    33   0.56750  1.0 1.0
   69    72    40    33  -0.07550 -1.0 2.0
   69    72    40    33   0.20000  1.0 3.0
   69    72    40    43   0.56750  1.0 1.0
   69    72    40    43  -0.07550 -1.0 2.0
   69    72    40    43   0.20000  1.0 3.0
   69    72    40    47   0.86500  1.0 1.0
   69    72    40    47  -0.17500 -1.0 2.0
   69    72    40    47   0.20800  1.0 3.0
   69    75   -84    62   2.00000 -1.0 2.0
   69    75    84    85   3.00000 -1.0 2.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    40   0.15000  1.0 3.0
   70    69    75    84   0.08050  1.0 3.0
   72    69    75    84  -0.25900  1.0 1.0
   72    69    75    84  -0.47000 -1.0 2.0
   72    69    75    84   0.11750  1.0 3.0
   72    40    43    44   0.15000  1.0 3.0
   72    40    43    45   0.15000  1.0 3.0
   72    40    43    46   0.15000  1.0 3.0
   72    40    47    48  -0.11600  1.0 1.0
   72    40    47    48  -0.09450 -1.0 2.0
   72    40    47    48   0.21250  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    43   0.15000  1.0 3.0
   73    72    40    47   0.23400  1.0 3.0
   74    72    40    33   0.15000  1.0 3.0
   74    72    40    43   0.15000  1.0 3.0
   74    72    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   75    69    72    73   0.23400  1.0 3.0
   75    69    72    74   0.23400  1.0 3.0
   75    69    72    40   0.62750  1.0 1.0
   75    69    72    40  -0.30950 -1.0 2.0
   75    69    72    40   0.27300  1.0 3.0
   84    62    65    66   7.00000 -1.0 2.0
   84    62   -65    69   7.00000 -1.0 2.0
   60    50    57    58   0.23400  1.0 3.0
   60    50    57    59   0.23400  1.0 3.0
   60    50    57    62   0.61850  1.0 1.0
   60    50    57    62  -0.22750 -1.0 2.0
   60    50    57    62   0.15300  1.0 3.0
   60    63    67    68   1.63100 -1.0 2.0
   60    63    67    71  -0.56150  1.0 1.0
   60    63    67    71   2.19150 -1.0 2.0
   63    67    71    76   7.00000 -1.0 2.0
   63    67    71    80   7.00000 -1.0 2.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    71   1.00000 -1.0 2.0
   67    71    76    77   0.00000  1.0 1.0
   67    71    76    78   0.00000  1.0 1.0
   67    71    76    79   0.00000  1.0 1.0
   67    71    80    81   0.00000  1.0 1.0
   67    71    80    82   0.00000  1.0 1.0
   67    71    80    83   0.00000  1.0 1.0
   68    67    71    76   7.00000 -1.0 2.0
   68    67    71    80   7.00000 -1.0 2.0
   76    71    80    81   0.34800  1.0 3.0
   76    71    80    82   0.34800  1.0 3.0
   76    71    80    83   0.34800  1.0 3.0
   80    71    76    77   0.34800  1.0 3.0
   80    71    76    78   0.34800  1.0 3.0
   80    71    76    79   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
   41    52    49    54   1.10000 -1.0 2.0
   49    61    52    53  10.50000 -1.0 2.0
   55    56    54    49   1.10000 -1.0 2.0
   57    84    62    65   1.10000 -1.0 2.0
   69    66    65    62   1.10000 -1.0 2.0
   62    75    84    85  10.50000 -1.0 2.0
   60    67    63    64  10.50000 -1.0 2.0
   63    68    67    71  15.00000 -1.0 2.0
   76    80    71    67  15.00000 -1.0 2.0
END
