* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    190    310     574
    1     0 S   NP   _N1_     1    28.98860    95.82390   -24.73180
    2     1 S   H    _HN1     2     1.02790   114.23630   -95.42854
    3     1 S   H    _H1_     3     1.02948    74.10148     7.93180
    4     1 S   H    _H2_     4     1.02828    33.40288   178.63886
    5     1 S   CT   _CA1     5     1.50113   128.69072   111.61902
    6     5 S   HC   _HA1     6     1.09574   105.18247    92.07511
    7     5 S   CO3  _C1_     7     1.53775   112.46151   -28.14779
    8     7 S   O2Z  _O11     8     1.26372   115.01101   -42.86339
    9     7 S   O2Z  _O12     9     1.26238   114.93810   136.22879
   10     5 S   CT   _CB1    10     1.53071   107.41609  -149.96169
   11    10 S   HC   HB11    11     1.09836   109.34015   -49.71072
   12    10 S   HC   HB12    12     1.09811   110.46802    66.88639
   13    10 S   CT   _CG1    13     1.53005   112.62373  -170.67428
   14    13 S   HC   HG11    14     1.09577   110.67230   -66.46783
   15    13 S   HC   HG12    15     1.09671   109.74866    52.77283
   16    13 S   C    _CD1    16     1.51806   112.12956   173.22309
   17    16 S   O    _OE1    17     1.22745   123.24468     9.11982
   18    16 S   N    _N2_    18     1.38651   111.74422  -170.90085
   19    18 S   H    _HN2    19     1.01581   118.97637     1.31775
   20    18 S   CT1  _CA2    20     1.46196   123.36607   177.02935
   21    20 S   HC   _HA2    21     1.09741   109.30062     5.28420
   22    20 S   C    _C2_    22     1.53614   108.86209  -110.20975
   23    22 S   O    _O2_    23     1.23073   122.22785  -149.31329
   24    20 S   CT   _CB2    32     1.53302   111.59407   127.23146
   25    24 S   HC   HB21    33     1.09527   110.08734    56.77396
   26    24 S   HC   HB22    34     1.09514   110.09274   175.76062
   27    22 S   N    _N3_    24     1.38311   113.82736    38.21094
   28    27 S   H    _HN3    25     1.01563   119.60184    -3.34141
   29    24 S   S    _SG2    35     1.82875   111.45236   -64.61004
   30    27 S   CT   _CA3    26     1.45290   123.26929   177.13290
   31    30 S   HC   HA31    27     1.09547   107.51703   -64.61809
   32    30 S   HC   HA32    28     1.09555   107.98825    51.83636
   33    29 S   CT   _C15    36     1.86124    99.65700   179.95154
   34    33 S   HC   _H6_    37     1.09651   105.63306    28.22696
   35    30 S   CO3  _C3_    29     1.52974   114.04300   173.83245
   36    35 S   O2Z  _O31    30     1.26381   116.06010    -0.44102
   37    35 S   O2Z  _O32    31     1.26423   114.42235   179.61692
   38    33 S   CM   _C14    38     1.51113   106.58315   -83.44761
   39    38 S   HC   _H18    39     1.08951   117.99168    34.68711
   40    38 S   CMA  _C13    40     1.34423   124.53707  -148.23798
   41    40 S   OM   _O38    41     1.25955   130.69573  -178.40517
   42    40 S   CM   _C12    42     1.45334   117.77835     0.11191
   43    42 S   HC   _H17    43     1.09057   117.64303  -171.24220
   44    42 S   CM   _C11    44     1.34686   123.90771    11.47490
   45    44 S   CT   _C10    45     1.50912   119.13005   174.63564
   46    45 S   HC   _H15    46     1.09640   109.33608  -106.31156
   47    45 S   HC   _H16    47     1.09714   111.34290    10.31660
   48    45 S   CT   _C9_    48     1.51764   112.05995   131.94706
   49    48 S   HC   _H13    49     1.09634   108.39246   175.53516
   50    48 S   HC   _H14    50     1.09793   109.44927   -68.54192
   51    48 S   CT   _C8_    51     1.53642   111.86993    53.88717
   52    51 S   HC   _H5_    52     1.09480   107.91885    63.27470
   53    51 S   CT   _C7_    53     1.53913   109.63484  -177.30921
   54    53 S   HC   _H4_    54     1.10090   105.50204    62.55121
   55    51 S   CT   _C17    67     1.56440   110.44318   -56.75708
   56    55 S   F    F1__    68     1.38870   104.95994   -58.66470
   57    53 S   CT   _C6_    55     1.52768   118.66420   -55.30183
   58    57 S   HC   _H11    56     1.09647   110.82986   -41.27069
   59    57 S   HC   _H12    57     1.09527   111.44085    78.23549
   60    33 S   CT   _C16    69     1.59665   115.09096   147.37699
   61    57 S   CT   _C5_    58     1.54949   104.97293  -159.91376
   62    61 S   HC   _H3_    59     1.09747   106.41073   122.54325
   63    60 S   CT   _C27    70     1.55218   112.20908    34.59439
   64    63 S   HC   _H31    71     1.09057   113.93585   -58.92556
   65    63 S   HC   _H32    72     1.09474   112.36666  -179.31187
   66    63 S   HC   _H33    73     1.09758   110.85516    61.18364
   67    61 S   CT   _C21    60     1.56817   106.13514     5.10500
   68    61 S   CT   _C4_    94     1.52632   112.32908  -121.28631
   69    68 S   HC   _H8_    95     1.09444   112.13997    55.64178
   70    68 S   HC   _H9_    96     1.09544   110.23480   -63.83416
   71    68 S   HC   _H10    97     1.09468   110.77012   176.93382
   72    53 S   CT   _C20    61     1.54548   113.87222  -178.53260
   73    67 S   CO4  _C22    80     1.54178   111.79374   146.43981
   74    73 S   O    _O33    81     1.23319   121.65214   -23.25018
   75    67 S   OH   _O36    92     1.42564   110.75975   -96.06287
   76    75 S   HO   _H26    93     0.97065   109.60498    43.91961
   77    72 S   CT   _C19    62     1.54215   106.52509   -61.63873
   78    77 S   HC   _H19    63     1.09695   109.98263   -65.44960
   79    77 S   HC   _H20    64     1.09549   109.60050   177.38027
   80    72 S   CT   _C26    76     1.55255   113.02376    60.03347
   81    80 S   HC   _H27    77     1.09438   112.66859    66.61058
   82    80 S   HC   _H28    78     1.09131   113.33217   -53.46300
   83    80 S   HC   _H29    79     1.09608   110.51811  -173.60650
   84    73 S   CT   _C23    82     1.52201   117.55081   157.87464
   85    84 S   HC   _H21    83     1.09172   109.43197    54.68745
   86    84 S   HC   _H22    84     1.09443   108.87658   -67.08316
   87    77 S   CT   _C18    65     1.54663   113.48405    55.18599
   88    87 S   HC   _H7_    66     1.09462   105.72743  -169.94640
   89    84 S   OS   _O34    85     1.43020   108.84835   174.01201
   90    87 S   OH   _O37    74     1.41890   109.07304    75.16057
   91    90 S   HO   _H30    75     0.97242   107.85390    60.82121
   92    89 S   CO4  _C24    86     1.36242   115.29620  -178.96751
   93    92 S   O    _O35    87     1.22338   126.21298     0.08847
   94    92 S   CT   _C25    88     1.49836   109.62039  -179.95154
   95    94 S   HC   _H23    89     1.09289   109.83298   -61.05432
   96    94 S   HC   _H24    90     1.09381   109.35767   179.89913
   97    94 S   HC   _H25    91     1.09290   109.83710    60.86343
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  22   9  15   6  14   6   5   8  14   8   4   2
   1   1  21   6   2   1   1  15  10   5   4   1  10   5   4   4
   2   1   1   6   3   2   3   2   6   1   1   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    87    55    56    60    63    64    65    66  
   38    39    40    44    55    60    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    63  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    63  
   44    45    60  
   45    46    47    48    49    50    51    87    55    56    60    63    64    65    66  
   46    47    48    49    50    51    52    53    55    60    63  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    72    87    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    67    72    77    87    88    55    56    60    63    90    80  
   53    54    57    72    87    55    56    60  
   54    57    58    59    61    62    67    72    77    78    79    87    55    56    60    80    81    82    83    73    75    68  
   57    58    59    61    67    72    77    55    80  
   56    60    63    64    65    66    90    91    57    72    77    78    79    87    88  
   60    63    90    77    87    88  
   58    59    61    62    67    72    77    80    73    75    68    69    70    71  
   59    61    62    67    72    68  
   61    62    67    72    68  
   63    64    65    66    90    77    87    88  
   62    67    72    77    80    73    74    84    75    76    68    69    70    71  
   67    72    73    75    68    69    70    71  
   64    65    66    87  
   65    66  
   66  
    0  
   72    77    78    79    87    80    81    82    83    73    74    84    85    86    89    75    76    68    69    70    71  
   69    70    71    72    73    75  
   70    71  
   71  
    0  
   77    78    79    87    88    90    80    81    82    83    73    74    84    75    76  
   74    84    85    86    89    92    75    76    77    80  
   84    85    86    89    75  
   76    77    80    84  
    0  
   78    79    87    88    90    91    80    81    82    83  
   79    87    88    90    80  
   87    88    90    80  
   81    82    83    87  
   82    83  
   83  
    0  
   85    86    89    92    93    94  
   86    89    92  
   89    92  
   88    90    91  
   90    91  
   92    93    94    95    96    97  
   91  
    0  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   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   317.000  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    72   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    68   268.000  1.529
   67    72   268.000  1.529
   67    73   317.000  1.522
   67    75   320.000  1.410
   72    77   268.000  1.529
   72    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    87   268.000  1.529
   87    88   340.000  1.090
   87    55   268.000  1.529
   87    90   320.000  1.410
   55    56   367.000  1.332
   55    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   90    91   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   570.000  1.229
   73    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   320.000  1.410
   89    92   214.000  1.327
   92    93   570.000  1.229
   92    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   75    76   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    63    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    72    58.35000  112.70000
   51    55    87    58.35000  112.70000
   51    55    56    50.00000  109.50000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    72    67    58.35000  112.70000
   53    72    77    58.35000  112.70000
   53    72    80    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    67    58.35000  112.70000
   57    61    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    67    73    63.00000  111.10000
   61    67    75    50.00000  109.50000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   67    61    62    37.50000  110.70000
   67    72    77    58.35000  112.70000
   67    72    80    58.35000  112.70000
   67    73    74    80.00000  120.40000
   67    73    84    70.00000  116.00000
   67    75    76    55.00000  108.50000
   72    53    54    37.50000  110.70000
   72    53    57    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    87    58.35000  112.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   77    87    88    37.50000  110.70000
   77    87    55    58.35000  112.70000
   77    87    90    50.00000  109.50000
   79    77    78    33.00000  107.80000
   87    77    78    37.50000  110.70000
   87    77    79    37.50000  110.70000
   87    55    56    50.00000  109.50000
   87    55    60    58.35000  112.70000
   87    90    91    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    87    88    37.50000  110.70000
   55    60    63    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    50.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    55    50.00000  109.50000
   80    72    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    67    72    63.00000  111.10000
   73    84    85    35.00000  109.50000
   73    84    86    35.00000  109.50000
   73    84    89    90.00000  108.74100
   84    73    74    80.00000  120.40000
   84    89    92    83.00000  116.90000
   86    84    85    33.00000  107.80000
   89    84    85    35.00000  109.50000
   89    84    86    35.00000  109.50000
   89    92    93    83.00000  123.40000
   89    92    94    81.00000  111.40000
   92    94    95    35.00000  109.50000
   92    94    96    35.00000  109.50000
   92    94    97    35.00000  109.50000
   94    92    93    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   75    67    72    50.00000  109.50000
   75    67    73    90.00000  109.61100
   68    61    62    37.50000  110.70000
   68    61    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    60    44   0.56750  1.0 1.0
   29    33    60    44  -0.07550 -1.0 2.0
   29    33    60    44   0.20000  1.0 3.0
   29    33    60    55   0.44750  1.0 1.0
   29    33    60    55  -0.17800 -1.0 2.0
   29    33    60    55   0.20200  1.0 3.0
   29    33    60    63   0.44750  1.0 1.0
   29    33    60    63  -0.17800 -1.0 2.0
   29    33    60    63   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
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   55    51    53    54   0.15000  1.0 3.0
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   55    51   -53    72   0.20000  1.0 3.0
   55    87    90    91  -0.11600  1.0 1.0
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   55    60    63    66   0.15000  1.0 3.0
   56    55    60    33   0.39650  1.0 1.0
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   56    55    60    63   0.39650  1.0 1.0
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   60    33    38    39   0.00000  1.0 1.0
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   90    87    55    51   0.86500  1.0 1.0
   90    87    55    51  -0.17500 -1.0 2.0
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   90    87    55    56   1.44150  1.0 1.0
   90    87    55    56  -0.96950 -1.0 2.0
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   90    87    55    60   0.86500  1.0 1.0
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   73    67    72    53  -0.95700  1.0 1.0
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   73    67    72    77  -0.95700  1.0 1.0
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   73    67    72    77   0.29450  1.0 3.0
   73    67    72    80  -0.95700  1.0 1.0
   73    67    72    80  -0.18200 -1.0 2.0
   73    67    72    80   0.29450  1.0 3.0
   73    67    75    76   0.91850  1.0 1.0
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   73    84    89    92  -1.80650  1.0 1.0
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   73    84    89    92   0.03650  1.0 3.0
   74    73    84    85   0.00000  1.0 1.0
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   74    73    84    89   0.30150 -1.0 2.0
   84    89    92    93   3.00000 -1.0 2.0
   84    89    92    94   1.63150  1.0 1.0
   84    89    92    94   2.92000 -1.0 2.0
   85    84    89    92   0.08050  1.0 3.0
   86    84    89    92   0.08050  1.0 3.0
   89    92    94    95   0.00000  1.0 1.0
   89    92    94    96   0.00000  1.0 1.0
   89    92    94    97   0.00000  1.0 1.0
   93    92    94    95   0.00000  1.0 1.0
   93    92    94    96   0.00000  1.0 1.0
   93    92    94    97   0.00000  1.0 1.0
   75    67    72    53   0.86500  1.0 1.0
   75    67    72    53  -0.17500 -1.0 2.0
   75    67    72    53   0.20800  1.0 3.0
   75    67    72    77   0.86500  1.0 1.0
   75    67    72    77  -0.17500 -1.0 2.0
   75    67    72    77   0.20800  1.0 3.0
   75    67    72    80   0.86500  1.0 1.0
   75    67    72    80  -0.17500 -1.0 2.0
   75    67    72    80   0.20800  1.0 3.0
   75    67    73    74   0.30150 -1.0 2.0
   75    67    73    84   0.55300  1.0 1.0
   75    67    73    84   1.25850 -1.0 2.0
   75    67    73    84  -0.23600  1.0 3.0
   68    61    67    72   0.56750  1.0 1.0
   68    61    67    72  -0.07550 -1.0 2.0
   68    61    67    72   0.20000  1.0 3.0
   68    61    67    73  -0.95700  1.0 1.0
   68    61    67    73  -0.18200 -1.0 2.0
   68    61    67    73   0.29450  1.0 3.0
   68    61    67    75   0.86500  1.0 1.0
   68    61    67    75  -0.17500 -1.0 2.0
   68    61    67    75   0.20800  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   67    84    73    74  10.50000 -1.0 2.0
   89    94    92    93  10.50000 -1.0 2.0
END
