* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    163    267     488
    1     0 S   NP   _N1_     1    29.32313    96.99372   -21.45403
    2     1 S   H    _HN1     2     1.02862    78.16664     9.97325
    3     1 S   H    _H1_     3     1.02956    40.53620   145.50347
    4     1 S   H    _H2_     4     1.02789    91.44414   -98.35068
    5     1 S   CT   _CA1     5     1.50562   148.81152   121.54214
    6     5 S   HC   _HA1     6     1.09694   104.60970    79.54374
    7     5 S   CO3  _C1_     7     1.54455   110.73551   -36.26088
    8     7 S   O2Z  _O11     8     1.26027   116.73010  -115.83928
    9     7 S   O2Z  _O12     9     1.26590   113.66979    62.71271
   10     5 S   CT   _CB1    10     1.53090   106.94258  -164.59148
   11    10 S   HC   HB11    11     1.09830   109.81990   -43.72000
   12    10 S   HC   HB12    12     1.09785   110.27244    72.94032
   13    10 S   CT   _CG1    13     1.53019   112.37451  -164.44045
   14    13 S   HC   HG11    14     1.09421   110.56716   -56.60800
   15    13 S   HC   HG12    15     1.09638   110.08687    62.17864
   16    13 S   C    _CD1    16     1.51826   111.95796  -178.08736
   17    16 S   O    _OE1    17     1.22770   123.03120   -17.70896
   18    16 S   N    _N2_    18     1.38486   111.89408   163.55592
   19    18 S   H    _HN2    19     1.01717   119.02362    -1.09468
   20    18 S   CT1  _CA2    20     1.46110   123.60554  -177.73359
   21    20 S   HC   _HA2    21     1.09714   109.45601    -6.30540
   22    20 S   C    _C2_    22     1.53431   108.78311  -122.36348
   23    22 S   O    _O2_    23     1.23066   122.13372  -147.28859
   24    20 S   CT   _CB2    32     1.53474   111.16585   115.62481
   25    24 S   HC   HB21    33     1.09261   109.22278    58.48912
   26    24 S   HC   HB22    34     1.09482   109.99160   176.56664
   27    22 S   N    _N3_    24     1.38473   113.55036    40.24095
   28    27 S   H    _HN3    25     1.01510   118.87698    -0.99249
   29    24 S   S    _SG2    35     1.83178   111.55780   -63.95084
   30    27 S   CT   _CA3    26     1.45425   123.38338   175.20752
   31    30 S   HC   HA31    27     1.09531   109.14748    26.36697
   32    30 S   HC   HA32    28     1.09495   107.15580   143.32285
   33    29 S   CT   _C20    36     1.88036   102.21333   151.88312
   34    33 S   OM   _O38    37     1.32263   105.47211  -176.13862
   35    30 S   CO3  _C3_    29     1.52914   113.13246   -97.06310
   36    35 S   O2Z  _O31    30     1.26400   115.39610   -45.85849
   37    35 S   O2Z  _O32    31     1.26358   114.99975   135.08317
   38    33 S   CM   _C21    38     1.53610   111.71054   -60.57376
   39    33 S   CT   _C19    70     1.58168   108.19048    64.68303
   40    39 S   HC   _H4_    71     1.09468   106.60617   -21.75203
   41    38 S   CMA  _C23    39     1.36399   124.61145   149.70815
   42    41 S   OM   _O37    40     1.26505   130.79807   177.74606
   43    39 S   NP   _N5_    72     1.55049   112.87061    88.65428
   44    43 S   H    _H16    73     1.03017   103.23841   -25.22259
   45    38 S   C    _C22    84     1.50639   119.91581   -31.92345
   46    45 S   O    _O36    85     1.22767   122.35705   113.98440
   47    41 S   CT   _C16    41     1.54131   116.57891     0.30261
   48    43 S   CT   _C24    74     1.50646   117.96975    89.64859
   49    48 S   HC   _H17    75     1.09156   109.54532    69.93686
   50    48 S   HC   _H18    76     1.09425   107.49693  -170.87872
   51    48 S   HC   _H19    77     1.08893   109.68498   -53.01103
   52    43 S   CT   _C25    78     1.50600   112.45694  -139.41405
   53    52 S   HC   _H20    79     1.09283   108.52394   -64.76063
   54    52 S   HC   _H21    80     1.09325   108.32251    56.10715
   55    52 S   HC   _H22    81     1.09331   108.27191   174.67137
   56    45 S   N    _N4_    86     1.37284   113.40706   -65.69881
   57    56 S   H    _H14    87     1.01505   121.43122     1.42285
   58    56 S   H    _H15    88     1.01634   121.17594   179.33353
   59    47 S   CO4  _C15    42     1.54555   116.65601  -165.97568
   60    59 S   O    _O35    43     1.23145   121.64694   -96.08692
   61    47 S   OH   _O39    82     1.43632   107.76786    79.05865
   62    61 S   HO   _H23    83     0.97383   106.70236    50.40211
   63    59 S   CA   _C7_    44     1.49660   118.94237    83.63623
   64    63 S   CA   _C6_    45     1.39389   119.54164    13.59238
   65    64 S   CA   _C5_    46     1.42734   119.35195  -177.87910
   66    64 S   CT   _C18    65     1.51336   120.30255     0.06561
   67    66 S   HC   _H12    66     1.09795   108.66939   139.01388
   68    66 S   HC   _H13    67     1.09519   107.45432  -104.27882
   69    65 S   CA   _C10    47     1.45315   121.77046    -7.97575
   70    65 S   CT   _C4_    61     1.51823   117.40703   170.59333
   71    70 S   HC   _H5_    62     1.09384   110.56310  -136.01469
   72    70 S   HC   _H6_    63     1.09335   113.16569   -20.94720
   73    70 S   HC   _H7_    64     1.09350   110.53817    99.90778
   74    47 S   CT   _C17    68     1.53221   112.94205   -40.98786
   75    74 S   HC   _H3_    69     1.09708   109.22788   174.49701
   76    69 S   CA   _C9_    48     1.42971   117.13559     9.25659
   77    76 S   CA   _C14    49     1.42987   118.74887   175.51140
   78    63 S   CA   _C8_    58     1.40545   121.05518  -166.18647
   79    77 S   CA   _C13    50     1.39029   123.01553     1.75022
   80    79 S   HA   _H9_    51     1.08590   121.45467   179.82641
   81    77 S   OH   _O33    56     1.37611   120.46443  -178.43302
   82    81 S   HO   _H10    57     0.97151   109.68856   179.79064
   83    78 S   OH   _O34    59     1.37864   119.79537     2.13010
   84    83 S   HO   _H11    60     0.97241   110.05142     0.50899
   85    79 S   CA   _C12    52     1.37618   119.00411     1.47432
   86    85 S   HA   _H8_    53     1.08781   118.78219   177.38701
   87    69 S   CA   _C11    54     1.44499   126.85109  -170.70931
   88    87 S   Cl   Cl1_    55     1.74000   124.37678     9.03074
  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
  17   7   2   1   1  14  22   8  13   5  13   9   5   3  12   8
   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15
  15   7   3   2  14   5   2   1   1   1   1  11   9   5   7   4
   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    74    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    66    74    75    39    40    43    44    48    52    45    46    56  
   38    41    74    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    59    74    39    40    43    61    45    46    56    57    58  
   40    43    44    48    49    50    51    52    53    54    55    61    45    41    47    59    64    66    67    68    74    75  
   43    44    48    52    47    66    74    75  
   42    47    59    60    63    66    74    75    61    62    45    46    56  
   47    59    74    61    45  
   44    48    49    50    51    52    53    54    55    47    66    74    75  
   48    49    50    51    52    53    54    55    74  
   46    56    57    58    47  
   56    57    58  
   59    60    63    64    78    66    67    68    74    75    61    62  
   49    50    51    52    53    54    55    74  
   50    51    52  
   51    52  
   52  
   53    54    55    74  
   54    55  
   55  
    0  
   57    58  
   58  
    0  
   60    63    64    65    76    78    83    66    74    75    61    62  
   63    64    78    74    61  
   62    63    66    74    75  
   74  
   64    65    69    76    77    78    83    84    70    66    67    68    74  
   65    69    76    87    78    83    70    71    72    73    66    67    68    74    75  
   69    76    77    85    87    88    78    70    71    72    73    66    67    68    74  
   67    68    74    75    69    70    78  
   68    74    75  
   74    75  
   76    77    79    85    86    87    88    81    78    83    70    71    72    73  
   71    72    73    76    87  
   72    73  
   73  
    0  
   75  
    0  
   77    79    80    85    87    88    81    82    78    83    84  
   79    80    85    86    87    81    82    78    83  
   83    84    79    81    87  
   80    85    86    87    88    81    82  
   85    86    87    81  
   82    85  
    0  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   410.000  1.444
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    59   317.000  1.522
   47    74   268.000  1.529
   47    61   320.000  1.410
   59    60   570.000  1.229
   59    63   310.000  1.470
   63    64   469.000  1.400
   63    78   469.000  1.400
   64    65   469.000  1.400
   64    66   317.000  1.510
   65    69   469.000  1.400
   65    70   317.000  1.510
   69    76   469.000  1.400
   69    87   469.000  1.400
   76    77   469.000  1.400
   76    78   469.000  1.400
   77    79   469.000  1.400
   77    81   450.000  1.364
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   300.000  1.725
   81    82   553.000  0.945
   78    83   450.000  1.364
   83    84   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    48   367.000  1.471
   43    52   367.000  1.471
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   61    62   553.000  0.945
   45    46   570.000  1.229
   45    56   490.000  1.335
   56    57   434.000  1.010
   56    58   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    70.00000  119.70000
   33    39    74    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  125.30000
   38    45    56    80.00000  111.56200
   41    47    59    70.00000  109.06800
   41    47    74    70.00000  112.02700
   41    47    61    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    59    60    80.00000  120.40000
   47    59    63    65.00000  115.47100
   47    74    66    58.35000  112.70000
   47    74    75    37.50000  110.70000
   47    74    39    58.35000  112.70000
   47    61    62    55.00000  108.50000
   59    63    64    60.00000  119.52600
   59    63    78    60.00000  119.52600
   63    59    60    75.00000  123.78400
   63    64    65    63.00000  120.00000
   63    64    66    70.00000  120.00000
   63    78    76    63.00000  120.00000
   63    78    83    70.00000  120.00000
   64    65    69    63.00000  120.00000
   64    65    70    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    74    70.00000  112.17500
   65    69    76    63.00000  120.00000
   65    69    87    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   69    76    77    63.00000  120.00000
   69    76    78    63.00000  120.00000
   69    87    85    63.00000  120.00000
   69    87    88    75.00000  120.00000
   76    77    79    63.00000  120.00000
   76    77    81    70.00000  120.00000
   76    78    83    70.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    85    63.00000  120.00000
   77    81    82    35.00000  113.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    75.00000  120.00000
   87    69    76    63.00000  120.00000
   87    85    86    35.00000  120.00000
   81    77    79    70.00000  120.00000
   78    63    64    63.00000  120.00000
   78    76    77    63.00000  120.00000
   78    83    84    35.00000  113.00000
   70    65    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    74    75    37.50000  110.70000
   66    74    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    47    59    63.00000  111.10000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    39    40    37.50000  110.70000
   74    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    74    75    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    48    75.00000  113.01200
   39    43    52    75.00000  113.01200
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   48    43    44    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    48    75.00000  113.01200
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   61    47    59    90.00000  109.61100
   61    47    74    50.00000  109.50000
   45    38    41    60.00000  120.04000
   45    56    57    35.00000  119.80000
   45    56    58    35.00000  119.80000
   56    45    46    80.00000  122.90000
   58    56    57    35.00000  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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    74   0.44750  1.0 1.0
   29    33    39    74  -0.17800 -1.0 2.0
   29    33    39    74   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    56   1.59650  1.0 1.0
   33    38    45    56   0.42750 -1.0 2.0
   33    38    45    56  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    48   0.47100  1.0 1.0
   33    39    43    52   0.47100  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    74   0.62750  1.0 1.0
   34    33    39    74  -0.30950 -1.0 2.0
   34    33    39    74   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    74   0.34400  1.0 1.0
   38    33    39    74   0.09450 -1.0 2.0
   38    33    39    74   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    47    59  -0.51250  1.0 1.0
   38    41    47    59  -0.88800 -1.0 2.0
   38    41    47    59   0.08850  1.0 3.0
   38    41   -47    74   0.09850  1.0 1.0
   38    41   -47    74   0.15250 -1.0 2.0
   38    41   -47    74  -0.50650  1.0 3.0
   38    41    47    61   0.67800  1.0 1.0
   38    41    47    61   0.47050 -1.0 2.0
   38    41    47    61  -0.62500  1.0 3.0
   38    45    56    57   2.56700 -1.0 2.0
   38    45    56    58   2.56700 -1.0 2.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    56   0.49500  1.0 1.0
   41    38    45    56   1.31600 -1.0 2.0
   41    38    45    56  -0.02300  1.0 3.0
   41    47    59    60   0.30150 -1.0 2.0
   41    47    59    63   0.65300  1.0 1.0
   41    47    59    63  -0.03850 -1.0 2.0
   41    47    59    63   0.33900  1.0 3.0
   41    47    74    66   0.34400  1.0 1.0
   41    47    74    66   0.09450 -1.0 2.0
   41    47    74    66   0.11100  1.0 3.0
   41    47    74    75   0.15000  1.0 3.0
   41    47    74    39   0.34400  1.0 1.0
   41    47    74    39   0.09450 -1.0 2.0
   41    47    74    39   0.11100  1.0 3.0
   41    47    61    62  -0.07800  1.0 1.0
   41    47    61    62  -0.21500 -1.0 2.0
   41    47    61    62  -0.03150  1.0 3.0
   42    41    47    59   0.09700  1.0 1.0
   42    41    47    59   0.15600 -1.0 2.0
   42    41    47    59  -0.50800  1.0 3.0
   42    41    47    74   0.09700  1.0 1.0
   42    41    47    74   0.15600 -1.0 2.0
   42    41    47    74  -0.50800  1.0 3.0
   42    41    47    61   0.09700  1.0 1.0
   42    41    47    61   0.15600 -1.0 2.0
   42    41    47    61  -0.50800  1.0 3.0
   47    59    63    64   2.26350  1.0 1.0
   47    59    63    64   0.76750 -1.0 2.0
   47    59    63    64   0.22500  1.0 3.0
   47    59    63    78   2.26350  1.0 1.0
   47    59    63    78   0.76750 -1.0 2.0
   47    59    63    78   0.22500  1.0 3.0
   47    74   -39    33   0.56750  1.0 1.0
   47    74   -39    33  -0.07550 -1.0 2.0
   47    74   -39    33   0.20000  1.0 3.0
   47    74    39    40   0.15000  1.0 3.0
   47    74    39    43   1.36600  1.0 1.0
   47    74    39    43  -0.11450 -1.0 2.0
   47    74    39    43   0.24250  1.0 3.0
   59    47    74    66  -0.95700  1.0 1.0
   59    47    74    66  -0.18200 -1.0 2.0
   59    47    74    66   0.29450  1.0 3.0
   59    47    74    75  -0.11250  1.0 3.0
   59    47    74    39  -0.95700  1.0 1.0
   59    47    74    39  -0.18200 -1.0 2.0
   59    47    74    39   0.29450  1.0 3.0
   59    47    61    62   0.91850  1.0 1.0
   59    47    61    62   0.57950  1.0 3.0
   59    63    64    65   3.62500 -1.0 2.0
   59    63   -64    66   3.62500 -1.0 2.0
   59    63    78    76   3.62500 -1.0 2.0
   59    63    78    83   3.62500 -1.0 2.0
   60    59    63    64   1.05000 -1.0 2.0
   60    59    63    78   1.05000 -1.0 2.0
   63    64    65    69   3.62500 -1.0 2.0
   63    64    65    70   3.62500 -1.0 2.0
   63    64    66    67   0.00000  1.0 1.0
   63    64    66    68   0.00000  1.0 1.0
   63    64    66    74   0.04150 -1.0 2.0
   63    78    83    84   0.84100 -1.0 2.0
   64    63    78    76   3.62500 -1.0 2.0
   64    63    78    83   3.62500 -1.0 2.0
   64    65   -69    76   3.62500 -1.0 2.0
   64    65    69    87   3.62500 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.00000  1.0 1.0
   64    65    70    73   0.00000  1.0 1.0
   64    66   -74    47  -0.03700  1.0 1.0
   64    66   -74    47   0.37200 -1.0 2.0
   64    66   -74    47  -0.47300  1.0 3.0
   64    66    74    75   0.43200  1.0 3.0
   64    66    74    39  -0.03700  1.0 1.0
   64    66    74    39   0.37200 -1.0 2.0
   64    66    74    39  -0.47300  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    74   0.04150 -1.0 2.0
   65    69    76    77   3.62500 -1.0 2.0
   65    69    76    78   3.62500 -1.0 2.0
   65    69    87    85   3.62500 -1.0 2.0
   65    69    87    88   3.62500 -1.0 2.0
   69    65    70    71   0.00000  1.0 1.0
   69    65    70    72   0.00000  1.0 1.0
   69    65    70    73   0.00000  1.0 1.0
   69    76    77    79   3.62500 -1.0 2.0
   69    76    77    81   3.62500 -1.0 2.0
   69    76   -78    63   3.62500 -1.0 2.0
   69    76    78    83   3.62500 -1.0 2.0
   76    69    87    85   3.62500 -1.0 2.0
   76    69    87    88   3.62500 -1.0 2.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77   -79    85   3.62500 -1.0 2.0
   76    77    81    82   0.84100 -1.0 2.0
   76    78    83    84   0.84100 -1.0 2.0
   77    76    78    63   3.62500 -1.0 2.0
   77    76    78    83   3.62500 -1.0 2.0
   77    79    85    86   3.62500 -1.0 2.0
   77    79    85    87   3.62500 -1.0 2.0
   79    77    81    82   0.84100 -1.0 2.0
   79    85   -87    69   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   86    85    87    69   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   87    69   -76    77   3.62500 -1.0 2.0
   87    69    76    78   3.62500 -1.0 2.0
   81    77    79    80   3.62500 -1.0 2.0
   81    77    79    85   3.62500 -1.0 2.0
   78    63   -64    65   3.62500 -1.0 2.0
   78    63    64    66   3.62500 -1.0 2.0
   78    76    77    79   3.62500 -1.0 2.0
   78    76    77    81   3.62500 -1.0 2.0
   70    65    69    76   3.62500 -1.0 2.0
   70    65    69    87   3.62500 -1.0 2.0
   66    64    65    69   3.62500 -1.0 2.0
   66    64    65    70   3.62500 -1.0 2.0
   66    74    39    33   0.56750  1.0 1.0
   66    74    39    33  -0.07550 -1.0 2.0
   66    74    39    33   0.20000  1.0 3.0
   66    74    39    40   0.15000  1.0 3.0
   66    74    39    43   1.36600  1.0 1.0
   66    74    39    43  -0.11450 -1.0 2.0
   66    74    39    43   0.24250  1.0 3.0
   67    66    74    47   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    39   0.15000  1.0 3.0
   68    66    74    47   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    39   0.15000  1.0 3.0
   74    47    59    60   0.30150 -1.0 2.0
   74    47   -59    63   0.05850 -1.0 2.0
   74    47   -59    63   0.17250  1.0 3.0
   74    47    61    62  -0.11600  1.0 1.0
   74    47    61    62  -0.09450 -1.0 2.0
   74    47    61    62   0.21250  1.0 3.0
   74    39    43    44   0.17350  1.0 3.0
   74    39    43    48   0.47100  1.0 1.0
   74    39    43    52   0.47100  1.0 1.0
   75    74    39    33   0.15000  1.0 3.0
   75    74    39    40   0.15000  1.0 3.0
   75    74    39    43   0.19200  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    50   0.15000  1.0 3.0
   39    43    48    51   0.15000  1.0 3.0
   39    43    52    53   0.15000  1.0 3.0
   39    43    52    54   0.15000  1.0 3.0
   39    43    52    55   0.15000  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   40    39    43    52   0.15000  1.0 3.0
   44    43    48    49   0.13050  1.0 3.0
   44    43    48    50   0.13050  1.0 3.0
   44    43    48    51   0.13050  1.0 3.0
   44    43    52    53   0.13050  1.0 3.0
   44    43    52    54   0.13050  1.0 3.0
   44    43    52    55   0.13050  1.0 3.0
   48    43    52    53   0.15000  1.0 3.0
   48    43    52    54   0.15000  1.0 3.0
   48    43    52    55   0.15000  1.0 3.0
   52    43    48    49   0.15000  1.0 3.0
   52    43    48    50   0.15000  1.0 3.0
   52    43    48    51   0.15000  1.0 3.0
   61    47    59    60   0.30150 -1.0 2.0
   61    47    59    63   0.65300  1.0 1.0
   61    47    59    63  -0.03850 -1.0 2.0
   61    47    59    63   0.33900  1.0 3.0
   61    47    74    66   0.86500  1.0 1.0
   61    47    74    66  -0.17500 -1.0 2.0
   61    47    74    66   0.20800  1.0 3.0
   61    47    74    75   0.23400  1.0 3.0
   61    47    74    39   0.86500  1.0 1.0
   61    47    74    39  -0.17500 -1.0 2.0
   61    47    74    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    56    57   2.45000 -1.0 2.0
   46    45    56    58   2.45000 -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
   33    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    63    59    60  10.50000 -1.0 2.0
   64    78    63    59   4.00000 -1.0 2.0
   65    66    64    63   4.00000 -1.0 2.0
   69    70    65    64   4.00000 -1.0 2.0
   76    87    69    65   4.00000 -1.0 2.0
   77    78    76    69   4.00000 -1.0 2.0
   79    81    77    76   4.00000 -1.0 2.0
   85    80    79    77   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   85    88    87    69   4.00000 -1.0 2.0
   76    83    78    63   4.00000 -1.0 2.0
   38    56    45    46  10.50000 -1.0 2.0
   58    45    56    57   1.00000 -1.0 2.0
END
