* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    162    240     479
    1     0 S   NP   _N1_     1    29.40391    99.05117   -19.24190
    2     1 S   H    _HN1     2     1.02833    62.08437   155.92344
    3     1 S   H    _H1_     3     1.02786    76.31344   -84.98084
    4     1 S   H    _H2_     4     1.02948    68.45534    31.42872
    5     1 S   CT   _CA1     5     1.50119   170.83848   116.29730
    6     5 S   HC   _HA1     6     1.09571   105.18382    96.34642
    7     5 S   CO3  _C1_     7     1.53751   112.40189   -23.86304
    8     7 S   O2Z  _O11     8     1.26378   115.02064   -42.85739
    9     7 S   O2Z  _O12     9     1.26228   114.96092   136.33312
   10     5 S   CT   _CB1    10     1.53081   107.41936  -145.67384
   11    10 S   HC   HB11    11     1.09832   109.31885   -49.16352
   12    10 S   HC   HB12    12     1.09795   110.49357    67.38655
   13    10 S   CT   _CG1    13     1.52992   112.65052  -170.08432
   14    13 S   HC   HG11    14     1.09473   110.81505   -64.73786
   15    13 S   HC   HG12    15     1.09685   109.71996    54.29342
   16    13 S   C    _CD1    16     1.51837   112.23867   174.31883
   17    16 S   O    _OE1    17     1.22726   123.30685     2.48428
   18    16 S   N    _N2_    18     1.38625   111.64093  -176.70521
   19    18 S   H    _HN2    19     1.01595   118.89466    -1.11470
   20    18 S   CT1  _CA2    20     1.46160   123.37080   173.04503
   21    20 S   HC   _HA2    21     1.09745   109.41063    -1.65256
   22    20 S   C    _C2_    22     1.53619   108.08432  -116.62129
   23    22 S   O    _O2_    23     1.23036   122.43204  -147.48902
   24    20 S   CT   _CB2    32     1.53189   111.87670   120.86545
   25    24 S   HC   HB21    33     1.09308   110.25230    54.12117
   26    24 S   HC   HB22    34     1.09529   110.21778   171.96114
   27    22 S   N    _N3_    24     1.38376   113.55553    40.02041
   28    27 S   H    _HN3    25     1.01595   119.54863    -3.39511
   29    24 S   S    _SG2    35     1.82737   111.71182   -70.25927
   30    27 S   CT   _CA3    26     1.45277   123.23695   177.12519
   31    30 S   HC   HA31    27     1.09548   107.53565   -64.15488
   32    30 S   HC   HA32    28     1.09555   107.96571    52.29280
   33    29 S   CT   _C13    36     1.85397   100.97896   111.76321
   34    33 S   HC   _H4_    37     1.09791   106.42528   -38.81023
   35    30 S   CO3  _C3_    29     1.52958   114.04552   174.27885
   36    35 S   O2Z  _O31    30     1.26379   116.05780    -0.26244
   37    35 S   O2Z  _O32    31     1.26425   114.41961   179.78150
   38    33 S   CT   _C14    38     1.55430   110.15147  -154.75373
   39    38 S   HC   _H5_    39     1.09446   108.48435  -173.77953
   40    33 S   CT   _C12    65     1.55676   113.27528    79.88089
   41    40 S   HC   _H3_    66     1.09768   107.86297   166.51232
   42    38 S   CM   _C15    40     1.50728   113.77804    64.75001
   43    42 S   HC   _H21    41     1.08903   116.28583   -83.43157
   44    38 S   OH   _O35    63     1.42693   111.94035   -58.34107
   45    44 S   HO   _H33    64     0.97317   107.36279    54.06961
   46    40 S   CT   _C11    67     1.53853   116.42375    42.72340
   47    46 S   HC   _H19    68     1.09714   110.35233   -74.22745
   48    46 S   HC   _H20    69     1.09263   111.37066    43.94898
   49    40 S   OH   _O36    90     1.43394   107.84967   -79.77276
   50    49 S   HO   _H34    91     0.97225   107.70104  -169.66421
   51    42 S   CM   _C16    42     1.34248   126.85604    97.46793
   52    51 S   HC   _H22    43     1.08923   117.13907   179.13295
   53    46 S   CM   _C10    70     1.50655   112.23743   167.15222
   54    53 S   HC   _H18    71     1.08838   115.91163    82.72383
   55    51 S   CT   _C17    44     1.50135   127.34076    -2.68737
   56    55 S   HC   _H23    45     1.09203   111.73428   -11.13325
   57    55 S   HC   _H24    46     1.09648   108.19150  -126.09666
   58    53 S   CM   _C9_    72     1.34183   126.45638   -99.56400
   59    58 S   HC   _H17    73     1.08847   117.71322  -177.79353
   60    55 S   CM   _C18    47     1.49987   111.37613   115.23310
   61    60 S   HC   _H25    48     1.08991   115.19267    67.63098
   62    58 S   CT   _C8_    74     1.50112   126.59520     3.84155
   63    62 S   HC   _H15    75     1.09558   111.19443    21.94565
   64    62 S   HC   _H16    76     1.09638   107.98137   137.80760
   65    60 S   CM   _C19    49     1.34198   127.79983  -112.66122
   66    65 S   HC   _H26    50     1.08923   117.00366  -179.82983
   67    62 S   CT   _C7_    77     1.52872   111.51997  -101.43299
   68    67 S   HC   _H13    78     1.09739   109.69357    59.81115
   69    67 S   HC   _H14    79     1.09734   109.89629   -57.56090
   70    65 S   CT   _C20    51     1.50120   127.84986     0.06853
   71    70 S   HC   _H27    52     1.09357   112.09452    -9.09557
   72    70 S   HC   _H28    53     1.09694   108.00156  -125.82918
   73    67 S   CT   _C6_    80     1.52956   111.18291  -178.97760
   74    73 S   HC   _H11    81     1.09636   109.47084    60.16350
   75    73 S   HC   _H12    82     1.09690   109.61883   -57.17835
   76    70 S   CT   _C21    54     1.53029   111.10343   113.83069
   77    76 S   HC   _H29    55     1.09773   109.66691   -60.78896
   78    76 S   HC   _H30    56     1.09767   109.82909    56.23147
   79    73 S   CT   _C5_    83     1.52804   111.43563  -178.63126
   80    79 S   HC   _H9_    84     1.09619   109.88043    59.03817
   81    79 S   HC   _H10    85     1.09619   109.87982   -58.72828
   82    76 S   CT   _C22    57     1.52566   111.32625   177.70877
   83    82 S   HC   _H31    58     1.09725   109.36614   -55.21544
   84    82 S   HC   _H32    59     1.09691   109.56751    62.13031
   85    79 S   CT   _C4_    86     1.52041   111.41292  -179.85065
   86    85 S   HC   _H6_    87     1.09472   110.99796    60.23501
   87    85 S   HC   _H7_    88     1.09447   110.26705   180.00000
   88    85 S   HC   _H8_    89     1.09471   110.99641   -60.25846
   89    82 S   CO3  _C23    60     1.53174   115.02853  -176.46864
   90    89 S   O2Z  _O34    61     1.26526   114.03963   170.09250
   91    89 S   O2Z  _O33    62     1.26124   116.67672   -10.11068
  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  12   6  11   6   9   4   2   1   9   5   4
   2   1   7   4   7   3   7   4   3   8   4   7   3   9   5   4
   8   4   9   5   4   9   5   4   9   5   4   8   5   4   6   5
   4   5   4   3   3   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    44    40    41    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    44    45    40    41    46    47    48    53    49    50  
   38    39    42    44    40    41    46    49  
   36    37  
   37  
    0  
   39    42    43    51    52    55    44    45    40    41    46    49  
   42    43    51    44    45    40  
   41    46    47    48    53    54    58    49    50    42    44  
   46    47    48    53    49    50  
   43    51    52    55    56    57    60    44    45  
   51    52    55    44  
   45    51  
    0  
   47    48    53    54    58    59    62    49    50  
   48    53    54    58    49  
   53    54    58    49  
   50    53  
    0  
   52    55    56    57    60    61    65  
   55    56    57    60  
   54    58    59    62    63    64    67  
   58    59    62  
   56    57    60    61    65    66    70  
   57    60    61    65  
   60    61    65  
   59    62    63    64    67    68    69    73  
   62    63    64    67  
   61    65    66    70    71    72    76  
   65    66    70  
   63    64    67    68    69    73    74    75    79  
   64    67    68    69    73  
   67    68    69    73  
   66    70    71    72    76    77    78    82  
   70    71    72    76  
   68    69    73    74    75    79    80    81    85  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84    89  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81    85    86    87    88  
   75    79    80    81    85  
   79    80    81    85  
   77    78    82    83    84    89    90    91  
   78    82    83    84    89  
   82    83    84    89  
   80    81    85    86    87    88  
   81    85    86    87    88  
   85    86    87    88  
   83    84    89    90    91  
   84    89    90    91  
   89    90    91  
   86    87    88  
   87    88  
   88  
    0  
   90    91  
   91  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    44   320.000  1.410
   42    43   340.000  1.080
   42    51   549.000  1.340
   51    52   340.000  1.080
   51    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.510
   60    61   340.000  1.080
   60    65   549.000  1.340
   65    66   340.000  1.080
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    46   268.000  1.529
   40    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.510
   53    54   340.000  1.080
   53    58   549.000  1.340
   58    59   340.000  1.080
   58    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   49    50   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    44    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    46    58.35000  112.70000
   33    40    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    35.00000  117.00000
   38    42    51    70.00000  124.00000
   38    44    45    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    51    52    35.00000  120.00000
   42    51    55    70.00000  124.00000
   51    42    43    35.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    60    70.00000  110.12100
   55    51    52    35.00000  117.00000
   55    60    61    35.00000  117.00000
   55    60    65    70.00000  124.00000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    65    66    35.00000  120.00000
   60    65    70    70.00000  124.00000
   65    60    61    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    76    70.00000  112.02700
   70    65    66    35.00000  117.00000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    89    70.00000  109.69300
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    89    90    70.00000  117.00000
   82    89    91    70.00000  117.00000
   84    82    83    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    84    35.00000  109.50000
   91    89    90    80.00000  126.00000
   44    38    39    35.00000  109.50000
   44    38    42    90.00000  110.39200
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    53    70.00000  112.02700
   40    49    50    55.00000  108.50000
   46    40    41    37.50000  110.70000
   46    53    54    35.00000  117.00000
   46    53    58    70.00000  124.00000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    62    70.00000  124.00000
   58    53    54    35.00000  120.00000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    67    70.00000  112.02700
   62    58    59    35.00000  117.00000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    85    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    37.50000  110.70000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   49    40    41    35.00000  109.50000
   49    40    46    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    51   0.09850  1.0 1.0
   33    38    42    51   0.15250 -1.0 2.0
   33    38    42    51  -0.50650  1.0 3.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    53   0.34400  1.0 1.0
   33    40    46    53   0.09450 -1.0 2.0
   33    40    46    53   0.11100  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   34    33    40    49   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    46   0.56750  1.0 1.0
   38    33    40    46  -0.07550 -1.0 2.0
   38    33    40    46   0.20000  1.0 3.0
   38    33    40    49   0.86500  1.0 1.0
   38    33    40    49  -0.17500 -1.0 2.0
   38    33    40    49   0.20800  1.0 3.0
   38    42    51    52   7.00000 -1.0 2.0
   38    42    51    55   7.00000 -1.0 2.0
   39    38    42    43   0.33100  1.0 3.0
   39    38    42    51   0.00000  1.0 1.0
   39    38    44    45   0.19450  1.0 3.0
   42    38    44    45  -0.07800  1.0 1.0
   42    38    44    45  -0.21500 -1.0 2.0
   42    38    44    45  -0.03150  1.0 3.0
   42    51    55    56   0.00000  1.0 1.0
   42    51    55    57   0.00000  1.0 1.0
   42    51    55    60  -0.28300  1.0 1.0
   42    51    55    60   0.26700 -1.0 2.0
   42    51    55    60  -0.63300  1.0 3.0
   43    42    51    52   7.00000 -1.0 2.0
   43    42    51    55   7.00000 -1.0 2.0
   51    55    60    61   0.00000  1.0 1.0
   51    55    60    65  -0.28300  1.0 1.0
   51    55    60    65   0.26700 -1.0 2.0
   51    55    60    65  -0.63300  1.0 3.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    57   0.33100  1.0 3.0
   52    51    55    60   0.00000  1.0 1.0
   55    60    65    66   7.00000 -1.0 2.0
   55    60    65    70   7.00000 -1.0 2.0
   56    55    60    61   0.33100  1.0 3.0
   56    55    60    65   0.00000  1.0 1.0
   57    55    60    61   0.33100  1.0 3.0
   57    55    60    65   0.00000  1.0 1.0
   60    65    70    71   0.00000  1.0 1.0
   60    65    70    72   0.00000  1.0 1.0
   60    65    70    76   0.09850  1.0 1.0
   60    65    70    76   0.15250 -1.0 2.0
   60    65    70    76  -0.50650  1.0 3.0
   61    60    65    66   7.00000 -1.0 2.0
   61    60    65    70   7.00000 -1.0 2.0
   65    70    76    77   0.15000  1.0 3.0
   65    70    76    78   0.15000  1.0 3.0
   65    70    76    82   0.34400  1.0 1.0
   65    70    76    82   0.09450 -1.0 2.0
   65    70    76    82   0.11100  1.0 3.0
   66    65    70    71   0.33100  1.0 3.0
   66    65    70    72   0.33100  1.0 3.0
   66    65    70    76   0.00000  1.0 1.0
   70    76    82    83   0.15000  1.0 3.0
   70    76    82    84   0.15000  1.0 3.0
   70    76    82    89  -1.63150  1.0 1.0
   70    76    82    89  -0.43550 -1.0 2.0
   70    76    82    89   0.24500  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82   0.15000  1.0 3.0
   76    82    89    90   0.41150 -1.0 2.0
   76    82    89    91   0.41150 -1.0 2.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    89  -0.11250  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    89  -0.11250  1.0 3.0
   83    82    89    90   0.00000  1.0 1.0
   83    82    89    91   0.00000  1.0 1.0
   84    82    89    90   0.00000  1.0 1.0
   84    82    89    91   0.00000  1.0 1.0
   44    38    42    43   0.00000  1.0 1.0
   44    38    42    51   0.67800  1.0 1.0
   44    38    42    51   0.47050 -1.0 2.0
   44    38    42    51  -0.62500  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.34400  1.0 1.0
   40    33    38    42   0.09450 -1.0 2.0
   40    33    38    42   0.11100  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  1.0 3.0
   40    46    53    54   0.00000  1.0 1.0
   40    46    53    58   0.09850  1.0 1.0
   40    46    53    58   0.15250 -1.0 2.0
   40    46    53    58  -0.50650  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    53   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   46    40    49    50  -0.11600  1.0 1.0
   46    40    49    50  -0.09450 -1.0 2.0
   46    40    49    50   0.21250  1.0 3.0
   46    53    58    59   7.00000 -1.0 2.0
   46    53    58    62   7.00000 -1.0 2.0
   47    46    53    54   0.33100  1.0 3.0
   47    46    53    58   0.00000  1.0 1.0
   48    46    53    54   0.33100  1.0 3.0
   48    46    53    58   0.00000  1.0 1.0
   53    58    62    63   0.00000  1.0 1.0
   53    58    62    64   0.00000  1.0 1.0
   53    58    62    67   0.09850  1.0 1.0
   53    58    62    67   0.15250 -1.0 2.0
   53    58    62    67  -0.50650  1.0 3.0
   54    53    58    59   7.00000 -1.0 2.0
   54    53    58    62   7.00000 -1.0 2.0
   58    62    67    68   0.15000  1.0 3.0
   58    62    67    69   0.15000  1.0 3.0
   58    62    67    73   0.34400  1.0 1.0
   58    62    67    73   0.09450 -1.0 2.0
   58    62    67    73   0.11100  1.0 3.0
   59    58    62    63   0.33100  1.0 3.0
   59    58    62    64   0.33100  1.0 3.0
   59    58    62    67   0.00000  1.0 1.0
   62    67    73    74   0.15000  1.0 3.0
   62    67    73    75   0.15000  1.0 3.0
   62    67    73    79   0.56750  1.0 1.0
   62    67    73    79  -0.07550 -1.0 2.0
   62    67    73    79   0.20000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    73   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    73   0.15000  1.0 3.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    85   0.56750  1.0 1.0
   67    73    79    85  -0.07550 -1.0 2.0
   67    73    79    85   0.20000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79   0.15000  1.0 3.0
   73    79    85    86   0.15000  1.0 3.0
   73    79    85    87   0.15000  1.0 3.0
   73    79    85    88   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    85   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    85   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.15000  1.0 3.0
   49    40    46    47   0.23400  1.0 3.0
   49    40    46    48   0.23400  1.0 3.0
   49    40    46    53   1.05650  1.0 1.0
   49    40    46    53   0.15600 -1.0 2.0
   49    40    46    53   0.53150  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
   38    43    42    51  15.00000 -1.0 2.0
   55    52    51    42  15.00000 -1.0 2.0
   55    61    60    65  15.00000 -1.0 2.0
   70    66    65    60  15.00000 -1.0 2.0
   90    82    89    91  10.50000 -1.0 2.0
   46    54    53    58  15.00000 -1.0 2.0
   62    59    58    53  15.00000 -1.0 2.0
END
