* LIGAND DATABASE FILE (OPLS2005)
*
001     108   111    218    355     662
    1     0 S   NP   _N1_     1    28.68648    94.50963   -19.89916
    2     1 S   H    _HN1     2     1.02779    80.53312   -94.96405
    3     1 S   H    _H1_     3     1.02958    96.67966    12.55829
    4     1 S   H    _H2_     4     1.02839    34.69271   123.08120
    5     1 S   CT   _CA1     5     1.50110   143.11560   150.43403
    6     5 S   HC   _HA1     6     1.09571   105.27623    43.10759
    7     5 S   CO3  _C1_     7     1.53808   112.20127   -77.20430
    8     7 S   O2Z  _O11     8     1.26367   115.02869   -47.64183
    9     7 S   O2Z  _O12     9     1.26213   114.88877   131.45496
   10     5 S   CT   _CB1    10     1.53071   107.42796   161.04149
   11    10 S   HC   HB11    11     1.09826   109.49222   -50.15676
   12    10 S   HC   HB12    12     1.09825   110.35099    66.40323
   13    10 S   CT   _CG1    13     1.53025   112.65822  -171.22237
   14    13 S   HC   HG11    14     1.09614   110.42307   -60.58103
   15    13 S   HC   HG12    15     1.09628   110.09893    58.70970
   16    13 S   C    _CD1    16     1.51799   112.09796   179.16070
   17    16 S   O    _OE1    17     1.22740   123.22447    -4.66157
   18    16 S   N    _N2_    18     1.38611   111.72606   175.08550
   19    18 S   H    _HN2    19     1.01604   119.10448     2.32944
   20    18 S   CT1  _CA2    20     1.46312   123.27984  -176.00585
   21    20 S   HC   _HA2    21     1.09735   109.39228   -11.51598
   22    20 S   C    _C2_    22     1.53374   108.70821  -127.41145
   23    22 S   O    _O2_    23     1.23024   122.16054  -147.21616
   24    20 S   CT   _CB2    32     1.53774   111.15494   110.28108
   25    24 S   HC   HB21    33     1.09258   108.30945    56.74075
   26    24 S   HC   HB22    34     1.09201   110.07586   175.24387
   27    22 S   N    _N3_    24     1.38480   113.41804    40.29880
   28    27 S   H    _HN3    25     1.01525   118.90024    -0.81637
   29    24 S   S    _SG2    35     1.82887   110.75588   -63.67004
   30    27 S   CT   _CA3    26     1.45447   123.46272   174.93608
   31    30 S   HC   HA31    27     1.09523   109.24647    24.22299
   32    30 S   HC   HA32    28     1.09495   107.12318   141.23840
   33    29 S   CT   _C20    36     1.90658   104.93928  -179.41617
   34    30 S   CO3  _C3_    29     1.52928   113.09971   -99.25155
   35    34 S   O2Z  _O31    30     1.26405   115.40765   -44.31351
   36    34 S   O2Z  _O32    31     1.26356   114.98455   136.61153
   37    33 S   CT   _C21    37     1.53509   110.54008   -33.32070
   38    37 S   HC   _H31    38     1.08606   112.63093   174.16165
   39    37 S   HC   _H32    39     1.09323   112.93767    55.82882
   40    33 S   CT   _C19    56     1.60357   107.34242  -153.35158
   41    40 S   HC   _H5_    57     1.10061   107.75251   -43.23861
   42    37 S   CO4  _C22    40     1.51140   112.33219   -68.89071
   43    42 S   O    _O33    41     1.22938   121.20497   123.42258
   44    40 S   CT   _C18    58     1.56804   111.17204  -157.14911
   45    44 S   HC   _H29    59     1.09489   109.45177   -77.89644
   46    44 S   HC   _H30    60     1.09626   109.09679   166.42636
   47    42 S   CT   _C23    42     1.52551   115.55100   -59.74811
   48    47 S   HC   _H6_    43     1.09876   104.99698   -58.69312
   49    44 S   CT   _C17    61     1.53625   117.30652    47.21784
   50    49 S   HC   _H27    62     1.09697   108.90739    69.02816
   51    49 S   HC   _H28    63     1.09441   107.86358  -176.73122
   52    47 S   CT   _C28    44     1.53432   111.31821  -173.32268
   53    52 S   HC   _H37    45     1.09568   110.50101   162.51406
   54    52 S   HC   _H38    46     1.09634   110.65991    44.26565
   55    49 S   CT   _C16    64     1.53247   112.07968   -54.27843
   56    52 S   CO4  _C27    47     1.51308   112.73642   -77.39720
   57    56 S   O    _O34    48     1.23120   121.05501   140.56350
   58    55 S   CT   _C12    65     1.57360   115.28887   165.28788
   59    58 S   HC   _H4_    66     1.09821   107.46322   -42.47602
   60    55 S   CT   _C30   101     1.54723   109.35202   -71.56792
   61    60 S   HC   _H42   102     1.09357   112.71034   167.54570
   62    60 S   HC   _H43   103     1.08977   113.29524    44.41590
   63    60 S   HC   _H44   104     1.09400   111.36357   -71.88670
   64    56 S   CT   _C26    49     1.50905   117.43004   -45.45719
   65    64 S   HC   _H35    50     1.09588   108.40761   166.16650
   66    64 S   HC   _H36    51     1.09310   108.99359   -77.46929
   67    58 S   CT   _C13    67     1.55238   102.21058  -155.81175
   68    67 S   HC   _H23    68     1.09618   111.76990   -97.80686
   69    67 S   HC   _H24    69     1.09583   110.44821   142.63806
   70    58 S   CT   _C5_    76     1.55497   120.71753    79.24410
   71    70 S   HC   _H3_    77     1.09735   108.68316    59.27791
   72    64 S   CT   _C25    52     1.52716   110.59664    46.68347
   73    72 S   HC   _H33    53     1.08838   104.58479    69.59298
   74    72 S   HC   _H34    54     1.09670   109.28006  -176.11662
   75    67 S   CT   _C14    70     1.54039   107.44295    21.90862
   76    75 S   HC   _H25    71     1.09479   108.87512   128.73101
   77    75 S   HC   _H26    72     1.09437   109.61170  -113.03271
   78    70 S   CT   _C4_    78     1.53198   112.65340   -59.47411
   79    78 S   HC   _H7_    79     1.09459   111.68802   -48.27035
   80    78 S   HC   _H8_    80     1.09261   111.19577    72.79076
   81    78 S   HC   _H9_    81     1.09555   111.07452  -168.94068
   82    70 S   CT   _C6_    82     1.55283   112.97749   175.42153
   83    82 S   HC   _H10    83     1.09833   108.26956  -176.15865
   84    82 S   HC   _H11    84     1.09670   109.45716   -61.71682
   85    47 S   CT   _C24    55     1.55061   110.13018    59.02790
   86    33 S   CT   _C15    73     1.57638   105.10552    90.83671
   87    82 S   CT   _C7_    85     1.53385   115.39926    61.71344
   88    87 S   HC   _H12    86     1.09529   110.12674    57.30557
   89    87 S   HC   _H13    87     1.09367   109.57712   -60.87767
   90    86 S   OH   _O35    74     1.46151   105.82473    51.37632
   91    90 S   HO   _H45    75     0.97348   107.16704   -55.77025
   92    87 S   CT   _C8_    88     1.53342   110.95598   178.27444
   93    92 S   HC   _H14    89     1.09756   109.35090    61.87613
   94    92 S   HC   _H15    90     1.09770   108.66805   -54.15408
   95    85 S   CT   _C29   105     1.55818   108.95248  -170.24289
   96    95 S   HC   _H39   106     1.09502   111.89304    54.02992
   97    95 S   HC   _H40   107     1.09285   113.28912   -64.52570
   98    95 S   HC   _H41   108     1.09588   110.70807   175.40692
   99    92 S   CT   _C9_    91     1.54009   113.47708  -175.22418
  100    99 S   HC   _H16    92     1.09738   108.70652    56.31697
  101    99 S   CT   _C10    93     1.52942   112.49408   -63.53136
  102   101 S   HC   _H17    94     1.09522   111.25782   -55.82085
  103   101 S   HC   _H18    95     1.09546   110.75233  -175.88705
  104   101 S   HC   _H19    96     1.09409   111.38726    65.00245
  105    99 S   CT   _C11    97     1.53076   109.78905   174.01738
  106   105 S   HC   _H20    98     1.09539   111.28437    61.95828
  107   105 S   HC   _H21    99     1.09521   110.83615  -177.78778
  108   105 S   HC   _H22   100     1.09516   110.83604   -58.31973
  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  13   5   4   3
  25   2   1   1  15   6   5  24   9  11   4  13   6   5  15   7
  15   5   4  10   5   4  19   8   4  23  10   8   3   2   1   7
   5   4  11   6   5  14   8   7   3   2   5   3   2   7   3   2
   1   9   5   4   5   2   9   5   4   1   1  12   5   4   3   2
   1   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    86    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    85    40    41    44    55    75    86    90  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    47    72    85    40    41    44    45    46    49    55    58    67    75    76    77    86    90    91    60    95  
   35    36  
   36  
    0  
   38    39    42    43    47    48    52    85    40    41    44    55    75    86    90  
   39    42    43    47    40    86  
   42    43    47    40    86  
   41    44    45    46    49    50    51    55    75    86    90    95    96    97    98    42    47    48    52    64    72    73    74    85  
   44    45    46    49    86    95    47    72    85  
   43    47    48    52    53    54    56    72    85    86    95  
   47    48    52    85  
   45    46    49    50    51    55    58    86    60    95    47    72    85  
   46    49    50    51    55    85  
   49    50    51    55    85  
   48    52    53    54    56    57    64    72    73    74    85    95    96    97    98  
   52    53    54    56    72    85    95  
   50    51    55    58    59    67    75    86    90    70    60    61    62    63    85  
   51    55    58    86    60  
   55    58    86    60  
   53    54    56    57    64    65    66    72    85    95  
   54    56    57    64    85  
   56    57    64    85  
   58    59    67    68    69    75    76    77    86    90    91    70    71    78    82    60    61    62    63  
   57    64    65    66    72    73    74    85  
   64    65    66    72  
   59    67    68    69    75    76    77    86    90    70    71    78    79    80    81    82    83    84    87    60    61    62    63  
   67    68    69    75    86    70    71    78    82    60  
   61    62    63    67    70    75    86    90  
   62    63    86  
   63    86  
   86  
   65    66    72    73    74    85    95  
   66    72    73    74    85  
   72    73    74    85  
   68    69    75    76    77    86    90    70    71    78    82  
   69    75    76    77    86    70  
   75    76    77    86    70  
   71    78    79    80    81    82    83    84    87    88    89    92    75    86  
   78    79    80    81    82    83    84    87  
   73    74    85    95    96    97    98  
   74    85    95  
   85    95  
   76    77    86    90    91  
   77    86    90  
   86    90  
   79    80    81    82    83    84    87  
   80    81    82  
   81    82  
   82  
   83    84    87    88    89    92    93    94    99  
   84    87    88    89    92  
   87    88    89    92  
   86    95    96    97    98  
   90    91  
   88    89    92    93    94    99   100   101   105  
   89    92    93    94    99  
   92    93    94    99  
   91  
    0  
   93    94    99   100   101   102   103   104   105   106   107   108  
   94    99   100   101   105  
   99   100   101   105  
   96    97    98  
   97    98  
   98  
    0  
  100   101   102   103   104   105   106   107   108  
  101   102   103   104   105   106   107   108  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105  
  106   107   108  
  107   108  
  108  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    86   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    85   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.522
   56    57   570.000  1.229
   56    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    85   268.000  1.529
   85    40   268.000  1.529
   85    95   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    58   268.000  1.529
   55    86   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    67   268.000  1.529
   58    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    86   268.000  1.529
   86    90   320.000  1.410
   90    91   553.000  0.945
   70    71   340.000  1.090
   70    78   268.000  1.529
   70    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   268.000  1.529
   99   100   340.000  1.090
   99   101   268.000  1.529
   99   105   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    86    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    40    85    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    86    55    58.35000  112.70000
   33    86    75    58.35000  112.70000
   33    86    90    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    52    63.00000  111.10000
   42    47    85    63.00000  111.10000
   47    42    43    80.00000  120.40000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    56    63.00000  111.10000
   47    85    72    58.35000  112.70000
   47    85    40    58.35000  112.70000
   47    85    95    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    56    57    80.00000  120.40000
   52    56    64    70.00000  116.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    66    35.00000  109.50000
   56    64    72    63.00000  111.10000
   64    56    57    80.00000  120.40000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    85    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    85    40    58.35000  112.70000
   72    85    95    58.35000  112.70000
   74    72    73    33.00000  107.80000
   85    47    48    37.50000  110.70000
   85    47    52    58.35000  112.70000
   85    72    73    37.50000  110.70000
   85    72    74    37.50000  110.70000
   85    40    41    37.50000  110.70000
   85    40    44    58.35000  112.70000
   85    95    96    37.50000  110.70000
   85    95    97    37.50000  110.70000
   85    95    98    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    55    86    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    67    58.35000  112.70000
   55    58    70    58.35000  112.70000
   55    86    75    58.35000  112.70000
   55    86    90    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    75    58.35000  112.70000
   58    70    71    37.50000  110.70000
   58    70    78    58.35000  112.70000
   58    70    82    58.35000  112.70000
   67    58    59    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    86    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    86    90    50.00000  109.50000
   77    75    76    33.00000  107.80000
   86    33    37    58.35000  112.70000
   86    33    40    58.35000  112.70000
   86    55    58    58.35000  112.70000
   86    75    76    37.50000  110.70000
   86    75    77    37.50000  110.70000
   86    90    91    55.00000  108.50000
   70    58    59    37.50000  110.70000
   70    58    67    58.35000  112.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   70    82    83    37.50000  110.70000
   70    82    84    37.50000  110.70000
   70    82    87    58.35000  112.70000
   78    70    71    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    70    71    37.50000  110.70000
   82    70    78    58.35000  112.70000
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    92    58.35000  112.70000
   84    82    83    33.00000  107.80000
   87    82    83    37.50000  110.70000
   87    82    84    37.50000  110.70000
   87    92    93    37.50000  110.70000
   87    92    94    37.50000  110.70000
   87    92    99    58.35000  112.70000
   89    87    88    33.00000  107.80000
   92    87    88    37.50000  110.70000
   92    87    89    37.50000  110.70000
   92    99   100    37.50000  110.70000
   92    99   101    58.35000  112.70000
   92    99   105    58.35000  112.70000
   94    92    93    33.00000  107.80000
   99    92    93    37.50000  110.70000
   99    92    94    37.50000  110.70000
   99   101   102    37.50000  110.70000
   99   101   103    37.50000  110.70000
   99   101   104    37.50000  110.70000
   99   105   106    37.50000  110.70000
   99   105   107    37.50000  110.70000
   99   105   108    37.50000  110.70000
  101    99   100    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105    99   100    37.50000  110.70000
  105    99   101    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   60    55    58    58.35000  112.70000
   60    55    86    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   95    85    40    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    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
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   75    86    90    91   0.21250  1.0 3.0
   76    75    86    33   0.15000  1.0 3.0
   76    75    86    55   0.15000  1.0 3.0
   76    75    86    90   0.23400  1.0 3.0
   77    75    86    33   0.15000  1.0 3.0
   77    75    86    55   0.15000  1.0 3.0
   77    75    86    90   0.23400  1.0 3.0
   86    33    37    38   0.15000  1.0 3.0
   86    33    37    39   0.15000  1.0 3.0
   86    33    37    42  -0.95700  1.0 1.0
   86    33    37    42  -0.18200 -1.0 2.0
   86    33    37    42   0.29450  1.0 3.0
   86    33    40    85   0.56750  1.0 1.0
   86    33    40    85  -0.07550 -1.0 2.0
   86    33    40    85   0.20000  1.0 3.0
   86    33    40    41   0.15000  1.0 3.0
   86    33   -40    44   0.56750  1.0 1.0
   86    33   -40    44  -0.07550 -1.0 2.0
   86    33   -40    44   0.20000  1.0 3.0
   86    55    58    59   0.15000  1.0 3.0
   86    55   -58    67   0.56750  1.0 1.0
   86    55   -58    67  -0.07550 -1.0 2.0
   86    55   -58    67   0.20000  1.0 3.0
   86    55    58    70   0.56750  1.0 1.0
   86    55    58    70  -0.07550 -1.0 2.0
   86    55    58    70   0.20000  1.0 3.0
   86    55    60    61   0.15000  1.0 3.0
   86    55    60    62   0.15000  1.0 3.0
   86    55    60    63   0.15000  1.0 3.0
   70    58    67    68   0.15000  1.0 3.0
   70    58    67    69   0.15000  1.0 3.0
   70    58    67    75   0.56750  1.0 1.0
   70    58    67    75  -0.07550 -1.0 2.0
   70    58    67    75   0.20000  1.0 3.0
   70    82    87    88   0.15000  1.0 3.0
   70    82    87    89   0.15000  1.0 3.0
   70    82    87    92   0.56750  1.0 1.0
   70    82    87    92  -0.07550 -1.0 2.0
   70    82    87    92   0.20000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    81   0.15000  1.0 3.0
   71    70    82    83   0.15000  1.0 3.0
   71    70    82    84   0.15000  1.0 3.0
   71    70    82    87   0.15000  1.0 3.0
   78    70    82    83   0.15000  1.0 3.0
   78    70    82    84   0.15000  1.0 3.0
   78    70    82    87   0.56750  1.0 1.0
   78    70    82    87  -0.07550 -1.0 2.0
   78    70    82    87   0.20000  1.0 3.0
   82    70    78    79   0.15000  1.0 3.0
   82    70    78    80   0.15000  1.0 3.0
   82    70    78    81   0.15000  1.0 3.0
   82    87    92    93   0.15000  1.0 3.0
   82    87    92    94   0.15000  1.0 3.0
   82    87    92    99   0.56750  1.0 1.0
   82    87    92    99  -0.07550 -1.0 2.0
   82    87    92    99   0.20000  1.0 3.0
   83    82    87    88   0.15000  1.0 3.0
   83    82    87    89   0.15000  1.0 3.0
   83    82    87    92   0.15000  1.0 3.0
   84    82    87    88   0.15000  1.0 3.0
   84    82    87    89   0.15000  1.0 3.0
   84    82    87    92   0.15000  1.0 3.0
   87    92    99   100   0.15000  1.0 3.0
   87    92    99   101   0.56750  1.0 1.0
   87    92    99   101  -0.07550 -1.0 2.0
   87    92    99   101   0.20000  1.0 3.0
   87    92    99   105   0.56750  1.0 1.0
   87    92    99   105  -0.07550 -1.0 2.0
   87    92    99   105   0.20000  1.0 3.0
   88    87    92    93   0.15000  1.0 3.0
   88    87    92    94   0.15000  1.0 3.0
   88    87    92    99   0.15000  1.0 3.0
   89    87    92    93   0.15000  1.0 3.0
   89    87    92    94   0.15000  1.0 3.0
   89    87    92    99   0.15000  1.0 3.0
   92    99   101   102   0.15000  1.0 3.0
   92    99   101   103   0.15000  1.0 3.0
   92    99   101   104   0.15000  1.0 3.0
   92    99   105   106   0.15000  1.0 3.0
   92    99   105   107   0.15000  1.0 3.0
   92    99   105   108   0.15000  1.0 3.0
   93    92    99   100   0.15000  1.0 3.0
   93    92    99   101   0.15000  1.0 3.0
   93    92    99   105   0.15000  1.0 3.0
   94    92    99   100   0.15000  1.0 3.0
   94    92    99   101   0.15000  1.0 3.0
   94    92    99   105   0.15000  1.0 3.0
  100    99   101   102   0.15000  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101   104   0.15000  1.0 3.0
  100    99   105   106   0.15000  1.0 3.0
  100    99   105   107   0.15000  1.0 3.0
  100    99   105   108   0.15000  1.0 3.0
  101    99   105   106   0.15000  1.0 3.0
  101    99   105   107   0.15000  1.0 3.0
  101    99   105   108   0.15000  1.0 3.0
  105    99   101   102   0.15000  1.0 3.0
  105    99   101   103   0.15000  1.0 3.0
  105    99   101   104   0.15000  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    67   0.56750  1.0 1.0
   60    55    58    67  -0.07550 -1.0 2.0
   60    55    58    67   0.20000  1.0 3.0
   60    55    58    70   0.56750  1.0 1.0
   60    55    58    70  -0.07550 -1.0 2.0
   60    55    58    70   0.20000  1.0 3.0
   60    55    86    33   0.56750  1.0 1.0
   60    55    86    33  -0.07550 -1.0 2.0
   60    55    86    33   0.20000  1.0 3.0
   60    55    86    75   0.56750  1.0 1.0
   60    55    86    75  -0.07550 -1.0 2.0
   60    55    86    75   0.20000  1.0 3.0
   60    55    86    90   0.86500  1.0 1.0
   60    55    86    90  -0.17500 -1.0 2.0
   60    55    86    90   0.20800  1.0 3.0
   95    85    40    33   0.56750  1.0 1.0
   95    85    40    33  -0.07550 -1.0 2.0
   95    85    40    33   0.20000  1.0 3.0
   95    85    40    41   0.15000  1.0 3.0
   95    85    40    44   0.56750  1.0 1.0
   95    85    40    44  -0.07550 -1.0 2.0
   95    85    40    44   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
   52    64    56    57  10.50000 -1.0 2.0
END
