* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    158    254     476
    1     0 S   NP   _N1_     1    29.08353    96.89167   -19.83465
    2     1 S   H    _HN1     2     1.02959    85.18204    40.25882
    3     1 S   H    _H1_     3     1.02830    43.18382   161.44296
    4     1 S   H    _H2_     4     1.02768    80.62526   -69.31028
    5     1 S   CT   _CA1     5     1.50176   153.75555   168.32047
    6     5 S   HC   _HA1     6     1.09578   105.14805    53.98996
    7     5 S   CO3  _C1_     7     1.53811   112.47838   -65.95040
    8     7 S   O2Z  _O11     8     1.26353   114.99799   -38.45253
    9     7 S   O2Z  _O12     9     1.26259   114.93230   140.52358
   10     5 S   CT   _CB1    10     1.53102   107.37774   171.81979
   11    10 S   HC   HB11    11     1.09812   109.20281   -50.16626
   12    10 S   HC   HB12    12     1.09814   110.41812    66.33939
   13    10 S   CT   _CG1    13     1.52976   112.76590  -171.36739
   14    13 S   HC   HG11    14     1.09430   110.30159   -64.21088
   15    13 S   HC   HG12    15     1.09648   110.11128    54.76553
   16    13 S   C    _CD1    16     1.51819   112.39101   174.65357
   17    16 S   O    _OE1    17     1.22738   123.16613   -13.25718
   18    16 S   N    _N2_    18     1.38592   111.75856   168.28256
   19    18 S   H    _HN2    19     1.01622   119.00642    -1.66331
   20    18 S   CT1  _CA2    20     1.46188   123.42181   177.72119
   21    20 S   HC   _HA2    21     1.09711   109.47352   -14.54171
   22    20 S   C    _C2_    22     1.53459   107.79218  -130.31127
   23    22 S   O    _O2_    23     1.23056   122.36154  -143.77874
   24    20 S   CT   _CB2    32     1.53235   111.72915   108.05400
   25    24 S   HC   HB21    33     1.09553   109.52445    53.88590
   26    24 S   HC   HB22    34     1.09480   110.28042   172.72481
   27    22 S   N    _N3_    24     1.38490   113.42640    42.97493
   28    27 S   H    _HN3    25     1.01528   118.98027     0.10468
   29    24 S   S    _SG2    35     1.82672   112.57170   -67.01972
   30    27 S   CT   _CA3    26     1.45412   123.20963   176.05161
   31    30 S   HC   HA31    27     1.09547   108.99622    28.99103
   32    30 S   HC   HA32    28     1.09491   107.18815   145.89571
   33    29 S   CT   _C10    36     1.84160    98.88835   170.69794
   34    33 S   HC   _H3_    37     1.09309   106.17246   -37.07437
   35    30 S   CO3  _C3_    29     1.52914   113.20039   -94.35999
   36    35 S   O2Z  _O31    30     1.26393   115.41462   -45.33231
   37    35 S   O2Z  _O32    31     1.26356   114.96475   135.59160
   38    33 S   CA   _C9_    38     1.51933   111.17587    80.18281
   39    33 S   CT   _C11    51     1.54010   111.04253  -154.39915
   40    39 S   HC   _H12    52     1.09710   110.43706  -177.82777
   41    39 S   HC   _H13    53     1.09849   109.73700   -61.44862
   42    38 S   CA   _C4_    39     1.40538   121.86032    67.15196
   43    42 S   HA   _H9_    40     1.08742   120.53485    -0.23155
   44    39 S   CO4  _C12    54     1.52444   116.45122    59.35030
   45    44 S   O    _O33    55     1.23062   121.20600  -142.64797
   46    42 S   CA   _C5_    41     1.39703   120.87215  -179.87180
   47    46 S   HA   _H10    42     1.08623   119.32166   179.94405
   48    44 S   CA   _C13    56     1.48355   120.80813    37.10015
   49    46 S   CA   _C6_    43     1.39249   119.73357     0.07133
   50    48 S   CA   _C14    57     1.40080   119.38756  -131.40222
   51    49 S   CA   _C7_    44     1.39162   120.12344     0.05595
   52    49 S   OH   _O43    49     1.36701   120.49065   180.00000
   53    52 S   HO   _H25    50     0.97204   108.73624     0.00000
   54    50 S   CA   _C15    58     1.39449   120.48395   177.40746
   55    54 S   HA   _H14    59     1.08749   119.97652  -179.56299
   56    50 S   OH   _O41    89     1.36882   123.06955    -1.43586
   57    56 S   HO   _H23    90     0.97311   109.20729   -10.53655
   58    38 S   CA   _C8_    45     1.40524   119.54712  -112.57907
   59    58 S   HA   _H11    46     1.08748   119.86046    -0.03426
   60    51 S   OH   _O42    47     1.36752   119.27929   179.85065
   61    60 S   HO   _H24    48     0.97197   108.79277  -179.35867
   62    54 S   CA   _C16    60     1.39537   120.06381    -0.63118
   63    62 S   CA   _C17    61     1.39602   119.94842     3.22009
   64    63 S   HA   _H15    62     1.08522   120.71997   176.40948
   65    62 S   OS   _O35    66     1.36953   115.98566  -179.34658
   66    48 S   CA   _C18    63     1.39892   121.62712    48.62474
   67    65 S   CO   _C19    67     1.44044   115.12544   137.69019
   68    67 S   HC   _H4_    68     1.09753   109.21302    66.42411
   69    66 S   OH   _O34    64     1.36853   119.96864     4.05927
   70    69 S   HO   _H16    65     0.97251   109.08204   178.68508
   71    67 S   CT   _C20    69     1.53609   106.69578  -175.62382
   72    71 S   HC   _H5_    70     1.09689   109.91181    52.73732
   73    71 S   CT   _C21    71     1.53070   111.34958   174.70698
   74    73 S   HC   _H6_    72     1.09667   110.25675    73.44774
   75    71 S   OH   _O40    87     1.42952   109.94159   -63.90486
   76    75 S   HO   _H22    88     0.97221   108.30167   -62.86390
   77    73 S   CT   _C22    73     1.53113   111.32534   -49.21657
   78    77 S   HC   _H7_    74     1.09706   109.07364   -71.21420
   79    73 S   OH   _O39    85     1.42932   109.64193  -170.67410
   80    79 S   HO   _H21    86     0.97244   108.16737    60.51677
   81    77 S   CT   _C23    75     1.53212   110.65297    50.04465
   82    81 S   HC   _H8_    76     1.09822   111.00898    64.23666
   83    77 S   OH   _O38    83     1.42594   109.67453   171.93294
   84    83 S   HO   _H20    84     0.97249   108.26451   -57.66998
   85    67 S   OS   _O36    77     1.43129   111.41972   -55.97143
   86    81 S   CT   _C24    78     1.53001   111.38442  -174.85989
   87    86 S   HC   _H17    79     1.09499   110.84629    70.11728
   88    86 S   HC   _H18    80     1.09384   111.68370   -52.22798
   89    86 S   OH   _O37    81     1.42506   109.11059  -171.18345
   90    89 S   HO   _H19    82     0.97441   106.68480  -175.20883
  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   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  11
   7   9   6   3   1   9   4   3   1   3   1   1   1   9   6   3
   9   2  13   6   1   1  12   7  13   7   4   1  12   7   3   1
   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    51    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    51    58    59    60    39    40    41    44  
   40    41    44    45    48    50    66    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    51    58    59    52  
   46    47    49    58  
   45    48    50    54    63    66    69    56  
   48    50    66  
   47    49    51    58    60    52    53  
   49    51    52  
   50    54    55    62    63    64    66    69    70    56    57  
   51    58    59    60    61    52    53  
   54    55    62    63    66    69    65    56    57  
   58    59    60    61    52    53  
   53    58    60  
    0  
   55    62    63    64    66    65    67    56    57  
   62    63    65    56  
   57    62    66  
    0  
   59    60    61  
   60  
   61  
    0  
   63    64    66    69    65    67    68    71    85  
   64    66    69    70    65    67  
   66    69    65  
   67    68    71    72    73    81    85    75    66  
   69    70  
   68    71    72    73    74    77    81    82    85    86    79    75    76  
   71    72    73    81    85    75  
   70  
    0  
   72    73    74    77    78    81    85    83    79    80    75    76  
   73    74    77    85    79    75    76  
   74    77    78    81    82    85    86    83    84    79    80    75    76  
   77    78    81    83    79    80    75  
   76    77    79    85  
    0  
   78    81    82    85    86    87    88    89    83    84    79    80  
   81    82    85    86    83    84    79  
   80    81    83  
    0  
   82    85    86    87    88    89    90    83    84  
   85    86    87    88    89    83  
   84    85    86  
    0  
   86    87    88    89  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    51   469.000  1.400
   49    52   450.000  1.364
   51    58   469.000  1.400
   51    60   450.000  1.364
   58    59   367.000  1.080
   60    61   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   310.000  1.470
   48    50   469.000  1.400
   48    66   469.000  1.400
   50    54   469.000  1.400
   50    56   450.000  1.364
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    69   450.000  1.364
   69    70   553.000  0.945
   65    67   320.000  1.380
   67    68   340.000  1.090
   67    71   250.000  1.527
   67    85   320.000  1.380
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   320.000  1.410
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   320.000  1.410
   77    78   340.000  1.090
   77    81   268.000  1.529
   77    83   320.000  1.410
   81    82   340.000  1.090
   81    85   320.000  1.410
   81    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   320.000  1.410
   89    90   553.000  0.945
   83    84   553.000  0.945
   79    80   553.000  0.945
   75    76   553.000  0.945
   56    57   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    51    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    51    63.00000  120.00000
   46    49    52    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    51    58    63.00000  120.00000
   49    51    60    70.00000  120.00000
   49    52    53    35.00000  113.00000
   51    58    59    35.00000  120.00000
   51    60    61    35.00000  113.00000
   58    38    42    63.00000  120.00000
   60    51    58    70.00000  120.00000
   52    49    51    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    60.00000  119.52600
   44    48    66    60.00000  119.52600
   48    44    45    75.00000  123.78400
   48    50    54    63.00000  120.00000
   48    50    56    70.00000  120.00000
   48    66    63    63.00000  120.00000
   48    66    69    70.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    62    63.00000  120.00000
   50    56    57    35.00000  113.00000
   54    62    63    63.00000  120.00000
   54    62    65    70.00000  120.00000
   62    54    55    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    66    63.00000  120.00000
   62    65    67   100.00000  112.36700
   63    66    69    70.00000  120.00000
   66    48    50    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    69    70    35.00000  113.00000
   65    62    63    70.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    71    90.00000  108.56700
   65    67    85    92.60000  111.55000
   67    71    72    45.00000  108.72000
   67    71    73    75.00000  109.43000
   67    71    75    90.00000  111.58700
   67    85    81    60.00000  109.50000
   71    67    68    45.00000  112.01100
   71    73    74    37.50000  110.70000
   71    73    77    58.35000  112.70000
   71    73    79    50.00000  109.50000
   71    75    76    55.00000  108.50000
   73    71    72    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    58.35000  112.70000
   73    77    83    50.00000  109.50000
   73    79    80    55.00000  108.50000
   77    73    74    37.50000  110.70000
   77    81    82    37.50000  110.70000
   77    81    85    50.00000  109.50000
   77    81    86    58.35000  112.70000
   77    83    84    55.00000  108.50000
   81    77    78    37.50000  110.70000
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    89    50.00000  109.50000
   85    67    68    35.00000  109.50000
   85    67    71    90.00000  108.56700
   85    81    82    35.00000  109.50000
   86    81    82    37.50000  110.70000
   86    81    85    50.00000  109.50000
   86    89    90    55.00000  108.50000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   83    77    78    35.00000  109.50000
   83    77    81    50.00000  109.50000
   79    73    74    35.00000  109.50000
   79    73    77    50.00000  109.50000
   75    71    72    35.00000  109.50000
   75    71    73    50.00000  109.50000
   56    50    54    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    51   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.05850 -1.0 2.0
   33    39    44    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    51   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    51   3.62500 -1.0 2.0
   42    46    49    52   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    51    58   3.62500 -1.0 2.0
   46    49    51    60   3.62500 -1.0 2.0
   46    49    52    53   0.84100 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   49    51   -58    38   3.62500 -1.0 2.0
   49    51    58    59   3.62500 -1.0 2.0
   49    51    60    61   0.84100 -1.0 2.0
   51    49    52    53   0.84100 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   58    51    60    61   0.84100 -1.0 2.0
   60    51    58    38   3.62500 -1.0 2.0
   60    51    58    59   3.62500 -1.0 2.0
   52    49    51    58   3.62500 -1.0 2.0
   52    49    51    60   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   2.26350  1.0 1.0
   39    44    48    50   0.76750 -1.0 2.0
   39    44    48    50   0.22500  1.0 3.0
   39    44    48    66   2.26350  1.0 1.0
   39    44    48    66   0.76750 -1.0 2.0
   39    44    48    66   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    54   3.62500 -1.0 2.0
   44    48    50    56   3.62500 -1.0 2.0
   44    48    66    63   3.62500 -1.0 2.0
   44    48    66    69   3.62500 -1.0 2.0
   45    44    48    50   1.05000 -1.0 2.0
   45    44    48    66   1.05000 -1.0 2.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    62   3.62500 -1.0 2.0
   48    50    56    57   0.84100 -1.0 2.0
   48    66    69    70   0.84100 -1.0 2.0
   50    48    66    63   3.62500 -1.0 2.0
   50    48    66    69   3.62500 -1.0 2.0
   50    54   -62    63   3.62500 -1.0 2.0
   50    54    62    65   3.62500 -1.0 2.0
   54    50    56    57   0.84100 -1.0 2.0
   54    62    63    64   3.62500 -1.0 2.0
   54    62    63    66   3.62500 -1.0 2.0
   54    62    65    67   1.63200 -1.0 2.0
   55    54    62    63   3.62500 -1.0 2.0
   55    54    62    65   3.62500 -1.0 2.0
   62    63   -66    48   3.62500 -1.0 2.0
   62    63    66    69   3.62500 -1.0 2.0
   62    65    67    68   0.08050  1.0 3.0
   62    65    67    71  -0.32850  1.0 1.0
   62    65    67    71  -0.35800 -1.0 2.0
   62    65    67    71   0.33950  1.0 3.0
   62    65    67    85  -0.25600  1.0 1.0
   62    65    67    85  -0.40050 -1.0 2.0
   62    65    67    85   0.34700  1.0 3.0
   63    62    65    67   1.63200 -1.0 2.0
   63    66    69    70   0.84100 -1.0 2.0
   64    63    66    48   3.62500 -1.0 2.0
   64    63    66    69   3.62500 -1.0 2.0
   66    48   -50    54   3.62500 -1.0 2.0
   66    48    50    56   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    66   3.62500 -1.0 2.0
   65    67    71    72   0.23400  1.0 3.0
   65    67    71    73   0.62750  1.0 1.0
   65    67    71    73  -0.30950 -1.0 2.0
   65    67    71    73   0.27300  1.0 3.0
   65    67    71    75   3.69350  1.0 1.0
   65    67    71    75  -1.82950 -1.0 2.0
   65    67    85    81  -0.81800  1.0 1.0
   67    71    73    74   0.15000  1.0 3.0
   67    71    73    77   3.97050  1.0 1.0
   67    71    73    79   0.86500  1.0 1.0
   67    71    73    79  -0.17500 -1.0 2.0
   67    71    73    79   0.20800  1.0 3.0
   67    71    75    76  -0.11600  1.0 1.0
   67    71    75    76  -0.09450 -1.0 2.0
   67    71    75    76   0.21250  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    85    81   0.37050  1.0 3.0
   71    67    85    81   0.06250  1.0 1.0
   71    67    85    81  -0.01100 -1.0 2.0
   71    67    85    81   0.28050  1.0 3.0
   71    73    77    78   0.15000  1.0 3.0
   71    73   -77    81   0.56750  1.0 1.0
   71    73   -77    81  -0.07550 -1.0 2.0
   71    73   -77    81   0.20000  1.0 3.0
   71    73    77    83   0.86500  1.0 1.0
   71    73    77    83  -0.17500 -1.0 2.0
   71    73    77    83   0.20800  1.0 3.0
   71    73    79    80  -0.11600  1.0 1.0
   71    73    79    80  -0.09450 -1.0 2.0
   71    73    79    80   0.21250  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    77   0.15000  1.0 3.0
   72    71    73    79   0.23400  1.0 3.0
   72    71    75    76   0.19450  1.0 3.0
   73    71    75    76  -0.11600  1.0 1.0
   73    71    75    76  -0.09450 -1.0 2.0
   73    71    75    76   0.21250  1.0 3.0
   73    77    81    82   0.15000  1.0 3.0
   73    77    81    85   0.62750  1.0 1.0
   73    77    81    85  -0.30950 -1.0 2.0
   73    77    81    85   0.27300  1.0 3.0
   73    77    81    86   0.56750  1.0 1.0
   73    77    81    86  -0.07550 -1.0 2.0
   73    77    81    86   0.20000  1.0 3.0
   73    77    83    84  -0.11600  1.0 1.0
   73    77    83    84  -0.09450 -1.0 2.0
   73    77    83    84   0.21250  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.15000  1.0 3.0
   74    73    77    83   0.23400  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80  -0.11600  1.0 1.0
   77    73    79    80  -0.09450 -1.0 2.0
   77    73    79    80   0.21250  1.0 3.0
   77    81   -85    67   0.06250  1.0 1.0
   77    81   -85    67  -0.01100 -1.0 2.0
   77    81   -85    67   0.28050  1.0 3.0
   77    81    86    87   0.15000  1.0 3.0
   77    81    86    88   0.15000  1.0 3.0
   77    81    86    89   0.86500  1.0 1.0
   77    81    86    89  -0.17500 -1.0 2.0
   77    81    86    89   0.20800  1.0 3.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    85   0.23400  1.0 3.0
   78    77    81    86   0.15000  1.0 3.0
   78    77    83    84   0.19450  1.0 3.0
   81    77    83    84  -0.11600  1.0 1.0
   81    77    83    84  -0.09450 -1.0 2.0
   81    77    83    84   0.21250  1.0 3.0
   81    86    89    90  -0.11600  1.0 1.0
   81    86    89    90  -0.09450 -1.0 2.0
   81    86    89    90   0.21250  1.0 3.0
   82    81    85    67   0.37050  1.0 3.0
   82    81    86    87   0.15000  1.0 3.0
   82    81    86    88   0.15000  1.0 3.0
   82    81    86    89   0.23400  1.0 3.0
   85    67    71    72   0.23400  1.0 3.0
   85    67   -71    73   0.62750  1.0 1.0
   85    67   -71    73  -0.30950 -1.0 2.0
   85    67   -71    73   0.27300  1.0 3.0
   85    67    71    75   3.69350  1.0 1.0
   85    67    71    75  -1.82950 -1.0 2.0
   85    81    86    87   0.23400  1.0 3.0
   85    81    86    88   0.23400  1.0 3.0
   85    81    86    89   3.69350  1.0 1.0
   85    81    86    89  -1.82950 -1.0 2.0
   86    81    85    67   0.06250  1.0 1.0
   86    81    85    67  -0.01100 -1.0 2.0
   86    81    85    67   0.28050  1.0 3.0
   87    86    89    90   0.19450  1.0 3.0
   88    86    89    90   0.19450  1.0 3.0
   83    77    81    82   0.23400  1.0 3.0
   83    77    81    85   3.69350  1.0 1.0
   83    77    81    85  -1.82950 -1.0 2.0
   83    77    81    86   0.86500  1.0 1.0
   83    77    81    86  -0.17500 -1.0 2.0
   83    77    81    86   0.20800  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   0.86500  1.0 1.0
   79    73    77    81  -0.17500 -1.0 2.0
   79    73    77    81   0.20800  1.0 3.0
   79    73    77    83   3.75450  1.0 1.0
   75    71    73    74   0.23400  1.0 3.0
   75    71    73    77   0.86500  1.0 1.0
   75    71    73    77  -0.17500 -1.0 2.0
   75    71    73    77   0.20800  1.0 3.0
   75    71    73    79   3.75450  1.0 1.0
   56    50    54    55   3.62500 -1.0 2.0
   56    50    54    62   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   51    52    49    46   4.00000 -1.0 2.0
   58    60    51    49   4.00000 -1.0 2.0
   51    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    66    48    44   4.00000 -1.0 2.0
   54    56    50    48   4.00000 -1.0 2.0
   62    55    54    50   1.10000 -1.0 2.0
   63    65    62    54   4.00000 -1.0 2.0
   66    64    63    62   1.10000 -1.0 2.0
   63    69    66    48   4.00000 -1.0 2.0
END
