* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    248     464
    1     0 S   NP   _N1_     1    28.47180    98.88428   -22.07860
    2     1 S   H    _HN1     2     1.02776    97.53516   -85.19496
    3     1 S   H    _H1_     3     1.02957    56.06571    21.87961
    4     1 S   H    _H2_     4     1.02836    58.14598   168.38404
    5     1 S   CT   _CA1     5     1.50143   150.18979    92.62446
    6     5 S   HC   _HA1     6     1.09576   105.19008   120.84411
    7     5 S   CO3  _C1_     7     1.53771   112.36306     0.70554
    8     7 S   O2Z  _O11     8     1.26366   114.98793   -43.48867
    9     7 S   O2Z  _O12     9     1.26234   114.92727   135.51627
   10     5 S   CT   _CB1    10     1.53090   107.41337  -121.27609
   11    10 S   HC   HB11    11     1.09829   109.27320   -50.47691
   12    10 S   HC   HB12    12     1.09814   110.44864    66.06115
   13    10 S   CT   _CG1    13     1.53033   112.70814  -171.54620
   14    13 S   HC   HG11    14     1.09591   110.51251   -65.55006
   15    13 S   HC   HG12    15     1.09661   109.88851    53.65949
   16    13 S   C    _CD1    16     1.51859   112.27775   173.98582
   17    16 S   O    _OE1    17     1.22761   123.25848     2.06232
   18    16 S   N    _N2_    18     1.38585   111.76528  -177.91700
   19    18 S   H    _HN2    19     1.01565   118.96904     4.27599
   20    18 S   CT1  _CA2    20     1.45786   122.80434   177.07805
   21    20 S   HC   _HA2    21     1.09768   108.74392    23.62348
   22    20 S   C    _C2_    22     1.52862   107.27952   -92.99361
   23    22 S   O    _O2_    23     1.22922   123.09927   -31.54503
   24    20 S   CT   _CB2    32     1.53161   112.08270   146.81104
   25    24 S   HC   HB21    33     1.09560   110.72197    44.98473
   26    24 S   HC   HB22    34     1.09293   109.99673   164.51539
   27    22 S   N    _N3_    24     1.38534   112.24637   150.83280
   28    27 S   H    _HN3    25     1.01620   119.90041     0.07402
   29    24 S   S    _SG2    35     1.82441   110.18704   -76.12652
   30    27 S   CT   _CA3    26     1.45373   122.86188   179.81233
   31    30 S   HC   HA31    27     1.09508   107.59238   -65.37444
   32    30 S   HC   HA32    28     1.09571   107.83222    50.87684
   33    29 S   CT   _C17    36     1.85525   100.61132   170.06374
   34    33 S   HC   _H4_    37     1.09823   107.64750   -57.53459
   35    30 S   CO3  _C3_    29     1.52986   114.13836   173.21048
   36    35 S   O2Z  _O31    30     1.26410   115.97156    14.50038
   37    35 S   O2Z  _O32    31     1.26411   114.57854  -165.51920
   38    33 S   CO4  _C18    38     1.51723   108.57524    59.47563
   39    38 S   O    _O35    39     1.23020   121.44073  -103.48792
   40    38 S   CM   _C13    40     1.49514   117.73076    75.36754
   41    40 S   CM   _C14    41     1.34729   119.37456    16.51152
   42    40 S   CO4  _C12    70     1.49598   122.20053  -161.76315
   43    42 S   O    _O33    71     1.22664   122.03053  -138.37295
   44    41 S   CO4  _C15    42     1.50703   121.35551     7.94310
   45    44 S   O    _O34    43     1.23251   118.63609   179.85598
   46    41 S   OS1  _O37    47     1.38654   122.47828  -174.43014
   47    42 S   CM   _C11    72     1.48761   115.53391    42.00849
   48    47 S   HC   _H15    73     1.08293   118.66071     0.14671
   49    33 S   CT   _C16    44     1.54942   115.49235   179.67615
   50    49 S   OM   _O36    45     1.32032   109.77111    58.18413
   51    49 S   HC   _H3_    46     1.10292   106.28463  -173.01012
   52    46 S   CO1  _C19    48     1.44165   110.30921    95.93651
   53    52 S   HC   _H5_    49     1.09947   109.54930    46.69871
   54    47 S   CM   _C10    74     1.34006   120.19954   178.81849
   55    54 S   HC   _H14    75     1.08647   121.45847    -1.38847
   56    52 S   CT   _C20    50     1.53291   107.64772   165.86259
   57    56 S   HC   _H6_    51     1.09673   110.07522    53.55214
   58    54 S   CA   _C9_    76     1.46853   122.48554   179.70792
   59    56 S   CT   _C21    52     1.53163   110.84000   175.35354
   60    59 S   HC   _H7_    53     1.09668   110.18816    73.32342
   61    56 S   OH5  _O42    68     1.42872   110.20584   -63.44220
   62    61 S   HO   _H21    69     0.97268   108.31752   -53.47330
   63    58 S   CA   _C4_    77     1.40326   121.66139   -46.92598
   64    63 S   HA   _H10    78     1.08758   120.84270     1.19763
   65    59 S   CT   _C22    54     1.53310   111.45318   -49.42390
   66    65 S   HC   _H8_    55     1.09710   108.93608   -71.77344
   67    59 S   OH5  _O41    66     1.42973   109.63229  -170.82281
   68    67 S   HO   _H20    67     0.97239   108.11698    60.25475
   69    63 S   CA   _C5_    79     1.39563   120.48062  -178.28685
   70    69 S   HA   _H11    80     1.08614   119.88742  -179.74666
   71    65 S   CT   _C23    56     1.53242   110.92172    49.45693
   72    71 S   HC   _H9_    57     1.09819   111.08463    65.19688
   73    65 S   OH5  _O40    64     1.42595   109.69811   171.49857
   74    73 S   HO   _H19    65     0.97257   108.17218   -58.91333
   75    69 S   CA   _C6_    81     1.39084   119.61916    -0.07662
   76    52 S   OS1  _O38    58     1.43000   110.66128   -74.51338
   77    71 S   CT   _C24    59     1.53001   111.57800  -173.78208
   78    77 S   HC   _H16    60     1.09514   110.97410    68.09763
   79    77 S   HC   _H17    61     1.09397   111.50465   -54.22940
   80    75 S   CA   _C7_    82     1.39255   120.75496     0.48254
   81    80 S   HA   _H12    83     1.08590   120.94336   179.96044
   82    75 S   OH   _O43    86     1.36601   118.14712  -179.47474
   83    82 S   HO   _H22    87     0.97237   108.41346   172.60058
   84    77 S   OH5  _O39    62     1.42509   109.17298  -173.33717
   85    84 S   HO   _H18    63     0.97715   106.45690  -178.31437
   86    58 S   CA   _C8_    84     1.40162   119.20551   135.55945
   87    86 S   HA   _H13    85     1.08771   120.56542    -1.89062
  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
  11   7   2   1   1  11   4  11  13   8   3   6   4   9   6   3
   2   1   1  13   6   8   3  12   7   9  13   7   4   1   8   4
  12   7   3   1   7   3   9   6   3   1   6   4   4   3   2   5
   3   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    49    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    49    50    51    42  
   38    39    40    44    49    50    51  
   36    37  
   37  
    0  
   39    40    41    44    49    50    51    46    42    43    47  
   40    41    49    42  
   41    44    45    49    46    52    42    43    47    48    54  
   44    45    49    50    51    46    52    53    56    76    42    43    47  
   43    47    48    54    55    58    44    46  
   47    48    54  
   45    49    50    51    46    52  
   49    50    51    46  
   52    53    56    57    59    71    76    61    49  
   48    54    55    58    63    86  
   54    55    58  
   50    51  
   51  
    0  
   53    56    57    59    60    65    71    72    76    77    67    61    62  
   56    57    59    71    76    61  
   55    58    63    64    69    80    86    87  
   58    63    86  
   57    59    60    65    66    71    76    73    67    68    61    62  
   59    60    65    76    67    61    62  
   63    64    69    70    75    80    81    86    87  
   60    65    66    71    72    76    77    73    74    67    68    61    62  
   65    66    71    73    67    68    61  
   62    65    67    76  
    0  
   64    69    70    75    80    86    87    82  
   69    70    75    86  
   66    71    72    76    77    78    79    84    73    74    67    68  
   71    72    76    77    73    74    67  
   68    71    73  
    0  
   70    75    80    81    86    82    83  
   75    80    82  
   72    76    77    78    79    84    85    73    74  
   76    77    78    79    84    73  
   74    76    77  
    0  
   80    81    86    87    82    83  
   77    78    79    84  
   78    79    84    85  
   79    84    85  
   84    85  
   81    86    87    82    83  
   86    87    82  
   83    86  
    0  
   85  
    0  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   320.000  1.462
   41    44   320.000  1.462
   41    46   440.000  1.360
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   570.000  1.307
   49    51   340.000  1.090
   46    52   370.000  1.399
   52    53   360.000  1.097
   52    56   255.000  1.525
   52    76   370.000  1.399
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   355.000  1.421
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   355.000  1.421
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    73   355.000  1.421
   71    72   340.000  1.090
   71    76   335.000  1.422
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   355.000  1.421
   84    85   580.000  0.967
   73    74   580.000  0.967
   67    68   580.000  0.967
   61    62   580.000  0.967
   42    43   570.000  1.229
   42    47   320.000  1.462
   47    48   340.000  1.080
   47    54   549.000  1.340
   54    55   340.000  1.080
   54    58   320.000  1.460
   58    63   469.000  1.400
   58    86   469.000  1.400
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    80   469.000  1.400
   75    82   450.000  1.364
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   82    83   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    75.00000  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    49    44    63.00000  111.10000
   33    49    50    50.00000  109.50000
   33    49    51    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    42    65.00000  115.30000
   40    38    39    80.00000  123.72100
   40    41    44    65.00000  118.96000
   40    41    46    80.00000  120.01400
   40    42    43    80.00000  123.72100
   40    42    47    65.00000  118.65900
   41    44    45    80.00000  123.72100
   41    44    49    65.00000  118.62400
   41    46    52    90.00000  111.18400
   44    49    50    90.00000  108.74100
   44    49    51    35.00000  109.50000
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    44    45    80.00000  120.40000
   51    49    50    45.00000  125.66300
   46    41    44    85.00000  116.28000
   46    52    53    60.00000  105.75400
   46    52    56    90.00000  109.70700
   46    52    76   110.00000  113.16000
   52    56    57    45.00000  109.54000
   52    56    59    70.00000  111.10000
   52    56    61    90.00000  109.42000
   52    76    71    90.00000  112.10700
   56    52    53    45.00000  111.65000
   56    59    60    37.50000  110.70000
   56    59    65    58.35000  112.70000
   56    59    67    90.00000  111.45300
   56    61    62    65.00000  108.53500
   59    56    57    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    71    58.35000  112.70000
   59    65    73    90.00000  111.45300
   59    67    68    65.00000  108.53500
   65    59    60    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    76    95.00000  107.88500
   65    71    77    58.35000  112.70000
   65    73    74    65.00000  108.53500
   71    65    66    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    84    90.00000  111.45300
   76    52    53    60.00000  105.75400
   76    52    56    90.00000  109.70700
   76    71    72    55.00000  108.98800
   77    71    72    37.50000  110.70000
   77    71    76    95.00000  107.88500
   77    84    85    65.00000  108.53500
   79    77    78    33.00000  107.80000
   84    77    78    60.00000  109.39000
   84    77    79    60.00000  109.39000
   73    65    66    60.00000  109.39000
   73    65    71    90.00000  111.45300
   67    59    60    60.00000  109.39000
   67    59    65    90.00000  111.45300
   61    56    57    60.00000  109.39000
   61    56    59    90.00000  111.45300
   42    40    41    65.00000  118.96000
   42    47    48    40.00000  117.72500
   42    47    54    65.00000  118.96000
   47    42    43    80.00000  123.72100
   47    54    55    35.00000  120.00000
   47    54    58    60.00000  123.20500
   54    47    48    35.00000  120.00000
   54    58    63    60.00000  120.93500
   54    58    86    60.00000  120.93500
   58    54    55    40.00000  117.26300
   58    63    64    35.00000  120.00000
   58    63    69    63.00000  120.00000
   58    86    80    63.00000  120.00000
   58    86    87    35.00000  120.00000
   63    69    70    35.00000  120.00000
   63    69    75    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    75    80    63.00000  120.00000
   69    75    82    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    86    63.00000  120.00000
   75    82    83    35.00000  113.00000
   80    86    87    35.00000  120.00000
   86    58    63    63.00000  120.00000
   86    80    81    35.00000  120.00000
   82    75    80    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   1.50000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    44  -0.11250  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    51   0.15000  1.0 3.0
   38    33    49    44   0.11950  1.0 1.0
   38    33    49    44   0.20300 -1.0 2.0
   38    33    49    44  -0.70800  1.0 3.0
   38    33    49    50  -0.09450  1.0 1.0
   38    33    49    50  -1.12950 -1.0 2.0
   38    33    49    50   0.54000  1.0 3.0
   38    33    49    51  -0.11250  1.0 3.0
   38    40   -41    44   7.00000 -1.0 2.0
   38    40    41    46   7.00000 -1.0 2.0
   38    40    42    43   2.50000 -1.0 2.0
   38    40    42    47   1.50000 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42   2.50000 -1.0 2.0
   40    41    44    45   1.00000 -1.0 2.0
   40    41    44    49  -0.33500  1.0 1.0
   40    41    44    49   1.06600 -1.0 2.0
   40    41    44    49  -0.14000  1.0 3.0
   40    41    46    52  -2.26850  1.0 1.0
   40    41    46    52   3.39050 -1.0 2.0
   40    42    47    48   0.93700 -1.0 2.0
   40    42    47    54  -1.18350  1.0 1.0
   40    42    47    54   1.45950 -1.0 2.0
   41    40    42    43   1.00000 -1.0 2.0
   41    40    42    47  -1.18350  1.0 1.0
   41    40    42    47   1.45950 -1.0 2.0
   41    44   -49    33   0.65300  1.0 1.0
   41    44   -49    33  -0.03850 -1.0 2.0
   41    44   -49    33   0.33900  1.0 3.0
   41    44    49    50   0.65300  1.0 1.0
   41    44    49    50  -0.03850 -1.0 2.0
   41    44    49    50   0.33900  1.0 3.0
   41    44    49    51   0.00000  1.0 1.0
   41    46    52    53   0.08050  1.0 3.0
   41    46    52    56  -0.46850  1.0 1.0
   41    46    52    56   0.09300 -1.0 2.0
   41    46    52    56  -0.12850  1.0 3.0
   41    46    52    76  -0.48150  1.0 1.0
   41    46    52    76   0.09250 -1.0 2.0
   41    46    52    76  -0.12850  1.0 3.0
   44    41    46    52   0.15100 -1.0 2.0
   45    44    49    33   0.30150 -1.0 2.0
   45    44    49    50   0.30150 -1.0 2.0
   45    44    49    51   0.00000  1.0 1.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   46    41    44    45  -0.11900  1.0 1.0
   46    41    44    45   0.76850 -1.0 2.0
   46    41    44    45   0.14100  1.0 3.0
   46    41    44    49   0.32450 -1.0 2.0
   46    41    44    49   0.17400  1.0 3.0
   46    52    56    57   0.23400  1.0 3.0
   46    52    56    59   0.62750  1.0 1.0
   46    52    56    59  -0.30950 -1.0 2.0
   46    52    56    59   0.27300  1.0 3.0
   46    52    56    61   1.51850  1.0 1.0
   46    52    76    71  -0.70400  1.0 1.0
   46    52    76    71  -0.90350 -1.0 2.0
   52    56    59    60   0.15000  1.0 3.0
   52    56    59    65   0.56750  1.0 1.0
   52    56    59    65  -0.07550 -1.0 2.0
   52    56    59    65   0.20000  1.0 3.0
   52    56    59    67  -0.47750  1.0 1.0
   52    56    61    62   0.29150  1.0 1.0
   52    56    61    62  -0.28350 -1.0 2.0
   52    56    61    62   0.43600  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   53    52    56    61   0.23400  1.0 3.0
   53    52    76    71   0.37050  1.0 3.0
   56    52    76    71   0.06250  1.0 1.0
   56    52    76    71  -0.01100 -1.0 2.0
   56    52    76    71   0.28050  1.0 3.0
   56    59    65    66   0.15000  1.0 3.0
   56    59   -65    71   0.56750  1.0 1.0
   56    59   -65    71  -0.07550 -1.0 2.0
   56    59   -65    71   0.20000  1.0 3.0
   56    59    65    73  -0.47750  1.0 1.0
   56    59    67    68   0.29150  1.0 1.0
   56    59    67    68  -0.28350 -1.0 2.0
   56    59    67    68   0.43600  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    65   0.15000  1.0 3.0
   57    56    59    67   0.23400  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   59    56    61    62   0.29150  1.0 1.0
   59    56    61    62  -0.28350 -1.0 2.0
   59    56    61    62   0.43600  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    76   0.62750  1.0 1.0
   59    65    71    76  -0.30950 -1.0 2.0
   59    65    71    76   0.27300  1.0 3.0
   59    65    71    77   0.56750  1.0 1.0
   59    65    71    77  -0.07550 -1.0 2.0
   59    65    71    77   0.20000  1.0 3.0
   59    65    73    74   0.29150  1.0 1.0
   59    65    73    74  -0.28350 -1.0 2.0
   59    65    73    74   0.43600  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    65    73   0.23400  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68   0.29150  1.0 1.0
   65    59    67    68  -0.28350 -1.0 2.0
   65    59    67    68   0.43600  1.0 3.0
   65    71   -76    52   0.06250  1.0 1.0
   65    71   -76    52  -0.01100 -1.0 2.0
   65    71   -76    52   0.28050  1.0 3.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    84  -0.47750  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    76   0.23400  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   71    65    73    74   0.29150  1.0 1.0
   71    65    73    74  -0.28350 -1.0 2.0
   71    65    73    74   0.43600  1.0 3.0
   71    77    84    85   0.29150  1.0 1.0
   71    77    84    85  -0.28350 -1.0 2.0
   71    77    84    85   0.43600  1.0 3.0
   72    71    76    52   0.37050  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    84   0.23400  1.0 3.0
   76    52    56    57   0.23400  1.0 3.0
   76    52   -56    59   0.62750  1.0 1.0
   76    52   -56    59  -0.30950 -1.0 2.0
   76    52   -56    59   0.27300  1.0 3.0
   76    52    56    61   1.51850  1.0 1.0
   76    71    77    78   0.23400  1.0 3.0
   76    71    77    79   0.23400  1.0 3.0
   76    71    77    84   1.51850  1.0 1.0
   77    71    76    52   0.06250  1.0 1.0
   77    71    76    52  -0.01100 -1.0 2.0
   77    71    76    52   0.28050  1.0 3.0
   78    77    84    85   0.19450  1.0 3.0
   79    77    84    85   0.19450  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    76   1.51850  1.0 1.0
   73    65    71    77  -0.47750  1.0 1.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    71  -0.47750  1.0 1.0
   67    59    65    73   3.77950  1.0 1.0
   61    56    59    60   0.23400  1.0 3.0
   61    56    59    65  -0.47750  1.0 1.0
   61    56    59    67   3.77950  1.0 1.0
   42    40    41    44   7.00000 -1.0 2.0
   42    40    41    46   7.00000 -1.0 2.0
   42    47    54    55   7.00000 -1.0 2.0
   42    47    54    58   7.00000 -1.0 2.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    54   1.00000 -1.0 2.0
   47    54    58    63   0.15800  1.0 1.0
   47    54    58    63   1.85350 -1.0 2.0
   47    54    58    63  -0.48700  1.0 3.0
   47    54    58    86   0.15800  1.0 1.0
   47    54    58    86   1.85350 -1.0 2.0
   47    54    58    86  -0.48700  1.0 3.0
   48    47    54    55   7.00000 -1.0 2.0
   48    47    54    58   7.00000 -1.0 2.0
   54    58    63    64   3.62500 -1.0 2.0
   54    58    63    69   3.62500 -1.0 2.0
   54    58    86    80   3.62500 -1.0 2.0
   54    58    86    87   3.62500 -1.0 2.0
   55    54    58    63   0.56550  1.0 3.0
   55    54    58    86   0.56550  1.0 3.0
   58    63    69    70   3.62500 -1.0 2.0
   58    63    69    75   3.62500 -1.0 2.0
   63    58    86    80   3.62500 -1.0 2.0
   63    58    86    87   3.62500 -1.0 2.0
   63    69   -75    80   3.62500 -1.0 2.0
   63    69    75    82   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    75   3.62500 -1.0 2.0
   69    75    80    81   3.62500 -1.0 2.0
   69    75    80    86   3.62500 -1.0 2.0
   69    75    82    83   0.84100 -1.0 2.0
   70    69    75    80   3.62500 -1.0 2.0
   70    69    75    82   3.62500 -1.0 2.0
   75    80   -86    58   3.62500 -1.0 2.0
   75    80    86    87   3.62500 -1.0 2.0
   80    75    82    83   0.84100 -1.0 2.0
   81    80    86    58   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   86    58    63    64   3.62500 -1.0 2.0
   86    58   -63    69   3.62500 -1.0 2.0
   82    75    80    81   3.62500 -1.0 2.0
   82    75    80    86   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
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   44    46    41    40   1.10000 -1.0 2.0
   41    49    44    45  10.50000 -1.0 2.0
   40    47    42    43  10.50000 -1.0 2.0
   42    48    47    54  15.00000 -1.0 2.0
   58    55    54    47  15.00000 -1.0 2.0
   63    86    58    54   4.00000 -1.0 2.0
   69    64    63    58   1.10000 -1.0 2.0
   75    70    69    63   1.10000 -1.0 2.0
   80    82    75    69   4.00000 -1.0 2.0
   86    81    80    75   1.10000 -1.0 2.0
   80    87    86    58   1.10000 -1.0 2.0
END
