* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    169    251     499
    1     0 S   NP   _N1_     1    30.07919    88.14615   -21.61815
    2     1 S   H    _HN1     2     1.02785    75.15135  -109.06481
    3     1 S   H    _H1_     3     1.02855   131.90308    -7.67184
    4     1 S   H    _H2_     4     1.02970    35.50197    47.46141
    5     1 S   CT   _CA1     5     1.50554   111.03047   142.56630
    6     5 S   HC   _HA1     6     1.09673   104.65951    26.02045
    7     5 S   CO3  _C1_     7     1.54530   110.89399   -89.84975
    8     7 S   O2Z  _O11     8     1.26027   116.84297  -124.11089
    9     7 S   O2Z  _O12     9     1.26606   113.73396    55.04110
   10     5 S   CT   _CB1    10     1.53071   106.97773   142.29874
   11    10 S   HC   HB11    11     1.09832   110.22935   -40.46298
   12    10 S   HC   HB12    12     1.09796   109.86864    76.12145
   13    10 S   CT   _CG1    13     1.53106   112.49049  -161.13350
   14    13 S   HC   HG11    14     1.09472   110.79286   -50.59489
   15    13 S   HC   HG12    15     1.09623   110.05048    68.28434
   16    13 S   C    _CD1    16     1.51794   111.77676  -171.59662
   17    16 S   O    _OE1    17     1.22762   123.08160   -13.91288
   18    16 S   N    _N2_    18     1.38568   111.89987   166.34348
   19    18 S   H    _HN2    19     1.01639   119.09197     2.99271
   20    18 S   CT1  _CA2    20     1.46243   123.23652  -174.69714
   21    20 S   HC   _HA2    21     1.09720   109.39073   -12.68389
   22    20 S   C    _C2_    22     1.53354   108.62489  -128.64485
   23    22 S   O    _O2_    23     1.23017   122.17437  -147.02673
   24    20 S   CT   _CB2    32     1.53563   111.13131   109.09752
   25    24 S   HC   HB21    33     1.09466   109.48014    57.75929
   26    24 S   HC   HB22    34     1.09515   110.66688   176.06791
   27    22 S   N    _N3_    24     1.38491   113.39412    40.42923
   28    27 S   H    _HN3    25     1.01532   118.87766    -0.84604
   29    24 S   S    _SG2    35     1.83091   111.85338   -64.33185
   30    27 S   CT   _CA3    26     1.45454   123.52196   175.08127
   31    30 S   HC   HA31    27     1.09518   109.31398    22.76171
   32    30 S   HC   HA32    28     1.09497   107.10130   139.77374
   33    29 S   CT   _C13    36     1.84979   100.07088   154.05183
   34    33 S   HC   _H5_    37     1.09756   107.92867    19.85807
   35    30 S   CO3  _C3_    29     1.52921   113.06722  -100.77215
   36    35 S   O2Z  _O31    30     1.26407   115.39107   -44.90018
   37    35 S   O2Z  _O32    31     1.26355   114.99888   136.02480
   38    33 S   CT   _C12    38     1.55107   105.74577   134.73204
   39    38 S   HC   _H14    39     1.09975   108.67120   -51.29228
   40    38 S   HC   _H15    40     1.09756   110.57191    63.06308
   41    33 S   CT   _C14    52     1.55749   111.14938  -100.10434
   42    41 S   HC   _H16    53     1.09649   110.08997   -61.71679
   43    38 S   NT   _N4_    41     1.47226   111.39512  -171.98046
   44    41 S   CT   _C16    54     1.54026   113.35015    58.62524
   45    44 S   HC   _H17    55     1.09290   109.86783   -64.75308
   46    44 S   HC   _H18    56     1.09706   110.11286    55.74764
   47    43 S   CT   _C11    42     1.46824   113.68721  -115.60779
   48    47 S   HC   _H12    43     1.09785   110.33811   -64.58585
   49    47 S   HC   _H13    44     1.09775   108.93908   178.55463
   50    44 S   OS   _O36    57     1.44197   111.78497   176.27396
   51    43 S   CT   _C22    89     1.46258   111.57336   118.54436
   52    51 S   HC   _H25    90     1.09590   110.54087   -57.36362
   53    51 S   HC   _H26    91     1.09572   110.71274  -175.04718
   54    51 S   HC   _H27    92     1.09592   112.02819    63.83667
   55    47 S   CT   _C10    45     1.53291   114.45869    58.38412
   56    55 S   HC   _H10    46     1.09859   108.32435   176.99515
   57    55 S   HC   _H11    47     1.09644   110.65909   -69.64763
   58    50 S   CO4  _C17    58     1.36472   113.69376  -179.44822
   59    58 S   O    _O37    59     1.22979   124.28914    -7.42317
   60    55 S   CT   _C9_    48     1.52856   114.77475    56.20295
   61    60 S   HC   _H4_    49     1.09646   109.70816    64.73412
   62    58 S   CT   _C18    60     1.53888   113.37700   171.45392
   63    60 S   CO4  _C15    50     1.52511   113.92141   -58.37657
   64    63 S   O    _O35    51     1.23306   120.60509   125.53544
   65    62 S   CT   _C5_    61     1.56728   116.65557   -13.64269
   66    65 S   HC   _H3_    62     1.09424   107.21247   -42.65268
   67    62 S   CT   _C19    78     1.53813   106.52695   113.42555
   68    67 S   HC   _H19    79     1.09506   111.40172   176.00370
   69    67 S   HC   _H20    80     1.09724   110.94788    58.17202
   70    67 S   HC   _H21    81     1.09291   112.06122   -61.64584
   71    62 S   OS   _O38    82     1.46447   105.64383  -136.56557
   72    65 S   CM   _C6_    63     1.52206   114.10299    79.50121
   73    72 S   HC   _H9_    64     1.09066   113.95653    61.91240
   74    65 S   CT   _C4_    74     1.54012   112.82570  -158.65159
   75    74 S   HC   _H6_    75     1.09519   111.82451   -58.44808
   76    74 S   HC   _H7_    76     1.09671   110.83095  -178.51839
   77    74 S   HC   _H8_    77     1.09381   111.75571    62.71886
   78    71 S   CO4  _C20    83     1.36400   120.44469    59.14728
   79    78 S   O    _O39    84     1.22256   126.57683     0.70499
   80    72 S   CM   _C7_    65     1.34694   128.96049  -119.99828
   81    78 S   CT   _C21    85     1.49825   109.38195  -179.45035
   82    81 S   HC   _H22    86     1.09289   109.81292   -61.28899
   83    81 S   HC   _H23    87     1.09377   109.36047   179.65170
   84    81 S   HC   _H24    88     1.09290   109.82744    60.63048
   85    80 S   CO4  _C8_    66     1.48485   119.07106    -1.51543
   86    85 S   O    _O33    67     1.21998   125.16766   -53.87457
   87    80 S   CM   _C23    69     1.45374   123.30198  -178.75463
   88    87 S   HC   _H28    70     1.08769   115.97539   140.75957
   89    60 S   OS   _O34    68     1.43723   107.21036  -174.37705
   90    87 S   CM   _C24    71     1.33889   125.45344   -41.35279
   91    90 S   HC   _H29    72     1.08493   120.26908  -178.91484
   92    90 S   HC   _H30    73     1.08528   122.30315     0.33804
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   5   4  13   7  11   9   4   3  13   6
   5   7   4   2   1   1   8   5   4  12   4   7   4  17   3   1
  16   9   7   3   2   1   8  12   4   4   2   1   1   5   4   8
   3   2   1   1   5   2   5   3   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    63    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    60    63    64    41    42    44    45    46    50    51  
   38    39    40    43    63    41    42    44  
   36    37  
   37  
    0  
   39    40    43    47    48    49    55    63    41    42    44    51    52    53    54  
   40    43    47    41    51  
   43    47    41    51  
   42    44    45    46    50    58    89    43    55    60    61    63    64  
   44    45    46    50    60    63    64  
   47    48    49    55    56    57    60    51    52    53    54  
   45    46    50    58    59    62    60    63    64  
   46    50    58    63  
   50    58    63  
   48    49    55    56    57    60    61    63    89    51    52    53    54  
   49    55    56    57    60    51  
   55    56    57    60    51  
   58    59    62    65    67    71    63  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    60    61    63    64    85    89  
   57    60    61    63    89  
   60    61    63    89  
   59    62    65    66    72    74    67    68    69    70    71    78  
   62    65    67    71  
   61    63    64    80    85    86    89  
   63    64    85    89  
   65    66    72    73    80    74    75    76    77    67    68    69    70    71    78    79    81  
   64    85    89  
   89  
   66    72    73    80    85    87    74    75    76    77    67    68    69    70    71    78  
   72    73    80    74    75    76    77    67    71  
   68    69    70    71    78    72    74  
   69    70    71  
   70    71  
   71  
   78    79    81    82    83    84    72    74  
   73    80    85    86    89    87    88    90    74    75    76    77  
   80    85    87    74  
   75    76    77    80  
   76    77  
   77  
    0  
   79    81    82    83    84  
   81    82    83    84  
   85    86    89    87    88    90    91    92  
   82    83    84  
   83    84  
   84  
    0  
   86    89    87    88    90  
   89    87  
   88    90    91    92    89  
   90    91    92  
    0  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   382.000  1.448
   43    47   382.000  1.448
   43    51   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    63   317.000  1.522
   60    89   320.000  1.410
   63    64   570.000  1.229
   63    41   317.000  1.522
   41    42   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    58   214.000  1.327
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    65   268.000  1.529
   62    67   268.000  1.529
   62    71   320.000  1.410
   65    66   340.000  1.090
   65    72   317.000  1.510
   65    74   268.000  1.529
   72    73   340.000  1.080
   72    80   549.000  1.340
   80    85   320.000  1.462
   80    87   380.000  1.444
   85    86   570.000  1.229
   85    89   214.000  1.327
   87    88   340.000  1.080
   87    90   549.000  1.340
   90    91   340.000  1.080
   90    92   340.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    78   214.000  1.327
   78    79   570.000  1.229
   78    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    56.20000  109.47000
   33    41    63    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    47    51.80000  107.20000
   38    43    51    51.80000  107.20000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    55    56.20000  109.47000
   43    51    52    35.00000  109.50000
   43    51    53    35.00000  109.50000
   43    51    54    35.00000  109.50000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    63    63.00000  111.10000
   55    60    89    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    41    70.00000  116.00000
   60    89    85    83.00000  116.90000
   63    60    61    35.00000  109.50000
   63    41    42    35.00000  109.50000
   63    41    44    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    63    64    80.00000  120.40000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    50    50.00000  109.50000
   44    41    42    37.50000  110.70000
   44    50    58    83.00000  116.90000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    58    59    83.00000  123.40000
   50    58    62    81.00000  111.40000
   58    62    65    63.00000  111.10000
   58    62    67    63.00000  111.10000
   58    62    71    90.00000  108.74100
   62    58    59    80.00000  120.40000
   62    65    66    37.50000  110.70000
   62    65    72    70.00000  112.02700
   62    65    74    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   62    71    78    83.00000  116.90000
   65    72    73    35.00000  117.00000
   65    72    80    70.00000  124.00000
   65    74    75    37.50000  110.70000
   65    74    76    37.50000  110.70000
   65    74    77    37.50000  110.70000
   72    65    66    35.00000  109.50000
   72    80    85    65.00000  118.96000
   72    80    87    70.00000  123.01800
   80    72    73    35.00000  120.00000
   80    85    86    80.00000  123.72100
   80    85    89    90.00000  111.29400
   80    87    88    35.00000  120.00000
   80    87    90    70.00000  123.01800
   89    60    61    35.00000  109.50000
   89    60    63    90.00000  108.74100
   89    85    86    83.00000  123.40000
   87    80    85    65.00000  118.96000
   87    90    91    35.00000  120.00000
   87    90    92    35.00000  120.00000
   90    87    88    35.00000  120.00000
   92    90    91    35.00000  117.00000
   74    65    66    37.50000  110.70000
   74    65    72    70.00000  112.02700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   67    62    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    62    65    50.00000  109.50000
   71    62    67    50.00000  109.50000
   71    78    79    83.00000  123.40000
   71    78    81    81.00000  111.40000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   81    78    79    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   51    43    47    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    63   0.56750  1.0 1.0
   29    33    41    63  -0.07550 -1.0 2.0
   29    33    41    63   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   33    38    43    47   0.23450  1.0 1.0
   33    38    43    47   0.02050 -1.0 2.0
   33    38    43    47   0.25250  1.0 3.0
   33    38    43    51   0.23450  1.0 1.0
   33    38    43    51   0.02050 -1.0 2.0
   33    38    43    51   0.25250  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    50   0.62750  1.0 1.0
   33    41    44    50  -0.30950 -1.0 2.0
   33    41    44    50   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    63  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   38    33    41    63  -0.95700  1.0 1.0
   38    33    41    63  -0.18200 -1.0 2.0
   38    33    41    63   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    43    47    48   0.28000  1.0 3.0
   38    43    47    49   0.28000  1.0 3.0
   38    43    47    55   0.23450  1.0 1.0
   38    43    47    55   0.02050 -1.0 2.0
   38    43    47    55   0.25250  1.0 3.0
   38    43    51    52   0.28000  1.0 3.0
   38    43    51    53   0.28000  1.0 3.0
   38    43    51    54   0.28000  1.0 3.0
   39    38    43    47   0.28000  1.0 3.0
   39    38    43    51   0.28000  1.0 3.0
   40    38    43    47   0.28000  1.0 3.0
   40    38    43    51   0.28000  1.0 3.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    57   0.15000  1.0 3.0
   43    47    55    60   1.53400  1.0 1.0
   43    47    55    60  -0.09950 -1.0 2.0
   43    47    55    60   0.05700  1.0 3.0
   47    43    51    52   0.28000  1.0 3.0
   47    43    51    53   0.28000  1.0 3.0
   47    43    51    54   0.28000  1.0 3.0
   47    55    60    61   0.15000  1.0 3.0
   47    55    60    63  -0.95700  1.0 1.0
   47    55    60    63  -0.18200 -1.0 2.0
   47    55    60    63   0.29450  1.0 3.0
   47    55    60    89   0.62750  1.0 1.0
   47    55    60    89  -0.30950 -1.0 2.0
   47    55    60    89   0.27300  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    60   0.15000  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   49    47    55    60   0.15000  1.0 3.0
   55    60    63    64   0.30150 -1.0 2.0
   55    60    63    41   0.60050  1.0 1.0
   55    60    63    41   0.05600 -1.0 2.0
   55    60    63    41   0.26150  1.0 3.0
   55    60    89    85  -0.25900  1.0 1.0
   55    60    89    85  -0.47000 -1.0 2.0
   55    60    89    85   0.11750  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63  -0.11250  1.0 3.0
   56    55    60    89   0.23400  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    63  -0.11250  1.0 3.0
   57    55    60    89   0.23400  1.0 3.0
   60    63    41    33   0.60050  1.0 1.0
   60    63    41    33   0.05600 -1.0 2.0
   60    63    41    33   0.26150  1.0 3.0
   60    63    41    42   0.00000  1.0 1.0
   60    63    41    44   0.60050  1.0 1.0
   60    63    41    44   0.05600 -1.0 2.0
   60    63    41    44   0.26150  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    41   0.00000  1.0 1.0
   61    60    89    85   0.08050  1.0 3.0
   63    60    89    85  -1.80650  1.0 1.0
   63    60    89    85   0.63900 -1.0 2.0
   63    60    89    85   0.03650  1.0 3.0
   63    41    44    45  -0.11250  1.0 3.0
   63    41    44    46  -0.11250  1.0 3.0
   63    41    44    50  -0.09450  1.0 1.0
   63    41    44    50  -1.12950 -1.0 2.0
   63    41    44    50   0.54000  1.0 3.0
   64    63    41    33   0.30150 -1.0 2.0
   64    63    41    42   0.00000  1.0 1.0
   64    63    41    44   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.53400  1.0 1.0
   41    33    38    43  -0.09950 -1.0 2.0
   41    33    38    43   0.05700  1.0 3.0
   41    44    50    58  -0.25900  1.0 1.0
   41    44    50    58  -0.47000 -1.0 2.0
   41    44    50    58   0.11750  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    50   0.23400  1.0 3.0
   44    50    58    59   3.00000 -1.0 2.0
   44    50    58    62   1.63150  1.0 1.0
   44    50    58    62   2.92000 -1.0 2.0
   45    44    50    58   0.08050  1.0 3.0
   46    44    50    58   0.08050  1.0 3.0
   50    58    62    65   0.36750  1.0 3.0
   50    58    62    67   0.36750  1.0 3.0
   50    58    62    71   0.40000  1.0 3.0
   58    62    65    66  -0.11250  1.0 3.0
   58    62    65    72  -0.98800  1.0 1.0
   58    62    65    72   0.48800 -1.0 2.0
   58    62    65    72   0.76800  1.0 3.0
   58    62    65    74  -0.95700  1.0 1.0
   58    62    65    74  -0.18200 -1.0 2.0
   58    62    65    74   0.29450  1.0 3.0
   58    62    67    68  -0.11250  1.0 3.0
   58    62    67    69  -0.11250  1.0 3.0
   58    62    67    70  -0.11250  1.0 3.0
   58    62    71    78  -1.80650  1.0 1.0
   58    62    71    78   0.63900 -1.0 2.0
   58    62    71    78   0.03650  1.0 3.0
   59    58    62    65   0.30150 -1.0 2.0
   59    58    62    67   0.30150 -1.0 2.0
   59    58    62    71   0.30150 -1.0 2.0
   62    65    72    73   0.00000  1.0 1.0
   62    65    72    80   0.09850  1.0 1.0
   62    65    72    80   0.15250 -1.0 2.0
   62    65    72    80  -0.50650  1.0 3.0
   62    65    74    75   0.15000  1.0 3.0
   62    65    74    76   0.15000  1.0 3.0
   62    65    74    77   0.15000  1.0 3.0
   62    71    78    79   3.00000 -1.0 2.0
   62    71    78    81   1.63150  1.0 1.0
   62    71    78    81   2.92000 -1.0 2.0
   65    62    67    68   0.15000  1.0 3.0
   65    62    67    69   0.15000  1.0 3.0
   65    62    67    70   0.15000  1.0 3.0
   65    62    71    78  -0.25900  1.0 1.0
   65    62    71    78  -0.47000 -1.0 2.0
   65    62    71    78   0.11750  1.0 3.0
   65    72    80    85   7.00000 -1.0 2.0
   65    72    80    87   7.00000 -1.0 2.0
   66    65    72    73   0.33100  1.0 3.0
   66    65    72    80   0.00000  1.0 1.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    76   0.15000  1.0 3.0
   66    65    74    77   0.15000  1.0 3.0
   72    65    74    75   0.15000  1.0 3.0
   72    65    74    76   0.15000  1.0 3.0
   72    65    74    77   0.15000  1.0 3.0
   72    80    85    86   1.00000 -1.0 2.0
   72    80    85    89  -0.56150  1.0 1.0
   72    80    85    89   2.19150 -1.0 2.0
   72    80    87    88  -0.18600  1.0 3.0
   72    80    87    90   0.28850  1.0 1.0
   72    80    87    90   2.61350 -1.0 2.0
   72    80    87    90   0.78400  1.0 3.0
   73    72    80    85   7.00000 -1.0 2.0
   73    72    80    87   7.00000 -1.0 2.0
   80    85    89    60   2.00000 -1.0 2.0
   80    87    90    91   7.00000 -1.0 2.0
   80    87    90    92   7.00000 -1.0 2.0
   85    80    87    88   0.00000  1.0 1.0
   85    80    87    90  -0.18600  1.0 3.0
   86    85    89    60   3.00000 -1.0 2.0
   89    60    63    64   0.30150 -1.0 2.0
   89    60    63    41   0.55300  1.0 1.0
   89    60    63    41   1.25850 -1.0 2.0
   89    60    63    41  -0.23600  1.0 3.0
   87    80    85    86   1.00000 -1.0 2.0
   87    80    85    89  -0.56150  1.0 1.0
   87    80    85    89   2.19150 -1.0 2.0
   88    87    90    91   7.00000 -1.0 2.0
   88    87    90    92   7.00000 -1.0 2.0
   74    65    72    73   0.00000  1.0 1.0
   74    65    72    80   0.09850  1.0 1.0
   74    65    72    80   0.15250 -1.0 2.0
   74    65    72    80  -0.50650  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    72   0.34400  1.0 1.0
   67    62    65    72   0.09450 -1.0 2.0
   67    62    65    72   0.11100  1.0 3.0
   67    62    65    74   0.56750  1.0 1.0
   67    62    65    74  -0.07550 -1.0 2.0
   67    62    65    74   0.20000  1.0 3.0
   67    62    71    78  -0.25900  1.0 1.0
   67    62    71    78  -0.47000 -1.0 2.0
   67    62    71    78   0.11750  1.0 3.0
   71    62    65    66   0.23400  1.0 3.0
   71    62    65    72   0.61850  1.0 1.0
   71    62    65    72  -0.22750 -1.0 2.0
   71    62    65    72   0.15300  1.0 3.0
   71    62    65    74   0.62750  1.0 1.0
   71    62    65    74  -0.30950 -1.0 2.0
   71    62    65    74   0.27300  1.0 3.0
   71    62    67    68   0.23400  1.0 3.0
   71    62    67    69   0.23400  1.0 3.0
   71    62    67    70   0.23400  1.0 3.0
   71    78    81    82   0.00000  1.0 1.0
   71    78    81    83   0.00000  1.0 1.0
   71    78    81    84   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   51    43    47    48   0.28000  1.0 3.0
   51    43    47    49   0.28000  1.0 3.0
   51    43    47    55   0.23450  1.0 1.0
   51    43    47    55   0.02050 -1.0 2.0
   51    43    47    55   0.25250  1.0 3.0
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
   60    41    63    64  10.50000 -1.0 2.0
   50    62    58    59  10.50000 -1.0 2.0
   65    73    72    80   1.10000 -1.0 2.0
   85    87    80    72   1.10000 -1.0 2.0
   80    89    85    86  10.50000 -1.0 2.0
   80    88    87    90  15.00000 -1.0 2.0
   91    92    90    87  15.00000 -1.0 2.0
   71    81    78    79  10.50000 -1.0 2.0
END
