* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    211    337     630
    1     0 S   NP   _N1_     1    29.14874    97.35208   -25.42356
    2     1 S   H    _HN1     2     1.02822    41.48448   177.59271
    3     1 S   H    _H1_     3     1.02788   115.59619   -93.97682
    4     1 S   H    _H2_     4     1.02944    66.04892     5.76935
    5     1 S   CT   _CA1     5     1.50132   130.47656   102.81073
    6     5 S   HC   _HA1     6     1.09577   105.16483   102.52157
    7     5 S   CO3  _C1_     7     1.53775   112.25072   -17.64743
    8     7 S   O2Z  _O11     8     1.26379   115.00267   -46.91083
    9     7 S   O2Z  _O12     9     1.26222   114.91624   131.84640
   10     5 S   CT   _CB1    10     1.53037   107.35768  -139.62236
   11    10 S   HC   HB11    11     1.09843   109.35161   -49.57443
   12    10 S   HC   HB12    12     1.09807   110.51738    67.02064
   13    10 S   CT   _CG1    13     1.52989   112.59355  -170.47990
   14    13 S   HC   HG11    14     1.09587   110.73164   -66.58702
   15    13 S   HC   HG12    15     1.09667   109.74831    52.66309
   16    13 S   C    _CD1    16     1.51807   111.92114   173.13793
   17    16 S   O    _OE1    17     1.22762   123.23536    11.66437
   18    16 S   N    _N2_    18     1.38534   111.82206  -168.50501
   19    18 S   H    _HN2    19     1.01711   118.99555    -0.36850
   20    18 S   CT1  _CA2    20     1.46245   123.59582   178.53433
   21    20 S   HC   _HA2    21     1.09734   109.18385     9.68452
   22    20 S   C    _C2_    22     1.53631   109.41730  -106.19373
   23    22 S   O    _O2_    23     1.23108   122.09487  -151.01065
   24    20 S   CT   _CB2    32     1.53467   111.19151   131.42420
   25    24 S   HC   HB21    33     1.09294   109.13508    60.11503
   26    24 S   HC   HB22    34     1.09545   110.19017   178.37924
   27    22 S   N    _N3_    24     1.38274   114.05785    36.55946
   28    27 S   H    _HN3    25     1.01535   119.63093    -3.58436
   29    24 S   S    _SG2    35     1.83501   110.72516   -62.59810
   30    27 S   CT   _CA3    26     1.45273   123.22417   177.07183
   31    30 S   HC   HA31    27     1.09550   107.54892   -63.75412
   32    30 S   HC   HA32    28     1.09558   107.93922    52.67295
   33    29 S   CT   _C23    36     1.88409   103.77808   158.25520
   34    33 S   OM   _O38    37     1.32289   111.12508    29.44706
   35    30 S   CO3  _C3_    29     1.52961   114.10668   174.66630
   36    35 S   O2Z  _O31    30     1.26376   116.11173     0.22814
   37    35 S   O2Z  _O32    31     1.26436   114.39978  -179.73166
   38    33 S   CT   _C24    38     1.56632   108.75174   -89.94001
   39    38 S   HC   _H6_    39     1.09894   108.94960   177.47168
   40    38 S   CO4  _C25    40     1.53469   111.71441   -67.81629
   41    40 S   O    _O36    41     1.23417   120.91698   145.41766
   42    38 S   C    _C26   108     1.54526   115.08003    60.86942
   43    42 S   O    _O37   109     1.22916   124.04217   -92.37541
   44    40 S   CT   _C17    42     1.53674   118.15085   -35.82621
   45    42 S   N    _N6_   110     1.37726   113.76414    87.73974
   46    45 S   H    _H23   111     1.01445   122.05952    -4.97941
   47    45 S   H    _H24   112     1.01347   120.49530   179.92087
   48    44 S   CM   _C16    43     1.52275   108.59167  -142.01452
   49    44 S   CT   _C18    90     1.53508   112.35188   -17.76495
   50    49 S   HC   _H3_    91     1.09264   107.20683   173.76552
   51    44 S   OH   _O39   106     1.42578   106.91849   100.55065
   52    51 S   HO   _H32   107     0.97450   107.37979    69.12181
   53    48 S   CM   _C15    44     1.35086   123.00960   105.06307
   54    33 S   CT   _C22    92     1.60753   111.12910   147.05043
   55    54 S   HC   _H5_    93     1.10052   110.62085  -140.97828
   56    48 S   OH   _O40   104     1.38564   113.25241   -76.50170
   57    56 S   HO   _H33   105     0.97336   108.92524  -179.44152
   58    53 S   CO4  _C14    45     1.49850   121.17851   178.54613
   59    58 S   O    _O35    46     1.22683   121.63571   -10.54593
   60    54 S   NP   _N7_    94     1.57046   110.11366   -28.18098
   61    60 S   H    _H25    95     1.02968   104.89334    37.03014
   62    58 S   CA   _C12    47     1.49266   118.31080   169.86420
   63    60 S   CT   _C27    96     1.50579   117.99234   154.61168
   64    63 S   HC   _H26    97     1.09292   108.69018    54.70619
   65    63 S   HC   _H27    98     1.09413   108.51561   174.79482
   66    63 S   HC   _H28    99     1.09199   108.67769   -68.25618
   67    60 S   CT   _C28   100     1.51754   112.11874   -78.06368
   68    67 S   HC   _H29   101     1.09312   108.37813   -62.97488
   69    67 S   HC   _H30   102     1.08946   109.57113    58.82114
   70    67 S   HC   _H31   103     1.09382   108.21626   176.84607
   71    62 S   CA   _C11    48     1.41000   119.91553   -13.29109
   72    71 S   CA   _C10    49     1.41795   119.96528  -177.47516
   73    71 S   CT   _C21    82     1.51317   119.55238     1.52816
   74    73 S   HC   _H21    83     1.09638   110.53288   153.75076
   75    73 S   HC   _H22    84     1.09770   108.44903   -88.45804
   76    72 S   CA   _C9_    50     1.41026   118.87116    -1.90074
   77    76 S   HA   _H17    51     1.08418   117.84212   179.35229
   78    72 S   NE   _N8_    73     1.40354   120.64973   177.06175
   79    53 S   CT   _C20    85     1.50500   122.89695     0.61421
   80    79 S   HC   _H4_    86     1.10060   106.79785   106.68102
   81    76 S   CA   _C8_    52     1.39547   121.65628     0.83345
   82    78 S   CT   _C29    74     1.45876   114.93731   -81.76927
   83    82 S   HC   _H34    75     1.09538   110.25656   168.89837
   84    82 S   HC   _H35    76     1.09485   112.08161    49.63098
   85    82 S   HC   _H36    77     1.09585   110.70639   -71.57392
   86    78 S   CT   _C30    78     1.45717   117.95082   133.99338
   87    86 S   HC   _H37    79     1.09547   109.95327  -163.02067
   88    86 S   HC   _H38    80     1.09522   111.58192    77.45665
   89    86 S   HC   _H39    81     1.09579   111.16588   -44.54453
   90    79 S   CT   _C19    87     1.53916   113.83315   -11.49459
   91    90 S   HC   _H19    88     1.09784   108.36471   161.34657
   92    90 S   HC   _H20    89     1.09259   109.67844   -83.34864
   93    62 S   CA   _C13    53     1.40632   120.57181   167.62248
   94    81 S   N    _N5_    56     1.41759   123.88547  -179.95577
   95    94 S   H    _H16    57     1.01841   113.91020  -179.37006
   96    93 S   OH   _O34    54     1.37538   122.50534    -1.53735
   97    96 S   HO   _H18    55     0.97364   109.18914     3.40525
   98    94 S   C    _C7_    58     1.38720   128.00282     0.71546
   99    98 S   O    _O33    59     1.22787   127.57106    -0.92852
  100    98 S   CT1  _C6_    60     1.51824   111.70979   179.81129
  101   100 S   HC   _H14    61     1.09529   107.80004    91.90934
  102   100 S   HC   _H15    62     1.09474   112.44106   -29.22039
  103   100 S   NP   _N4_    63     1.51749   111.73266  -150.17648
  104   103 S   H    _H10    64     1.03017   106.66156   -46.05722
  105   103 S   CT   _C4_    65     1.50507   112.70504    71.00906
  106   105 S   HC   _H7_    66     1.09327   108.58205    62.96383
  107   105 S   HC   _H8_    67     1.09324   107.99060  -176.67063
  108   105 S   HC   _H9_    68     1.09249   108.57902   -57.80124
  109   103 S   CT   _C5_    69     1.50312   111.79047  -162.53327
  110   109 S   HC   _H11    70     1.09325   108.58150   -62.48045
  111   109 S   HC   _H12    71     1.09313   108.10353    58.10749
  112   109 S   HC   _H13    72     1.09318   108.12353   176.90801
  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
  18   8   2   1   1  15   7  14   5   6   3  16   2   1   1  15
  17   8   5   1  15  15   5   3   1  11   4  10   8  13   7   3
   2   1   3   2   1   1  15  18  10   4   3  10   4   9   4   3
   8   7   3   2   1   3   2   1   1   2   1   1   5   8   3   1
   1   8   4  12   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    54    55    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    90    49    50    54    55    60    61    63    67    42    43    45  
   38    39    40    49    54    55    60    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    54    55    60    51    42    43    45    46    47  
   40    41    44    54    42    43    45  
   41    44    48    53    90    49    50    54    56    51    52    42    43    45  
   44    48    49    51    42  
   43    45    46    47    44    54  
   45    46    47  
   48    53    58    79    90    91    92    49    50    54    55    60    56    57    51    52  
   46    47  
   47  
    0  
   53    58    59    62    73    79    80    90    49    50    54    56    57    51    52  
   50    54    55    60    61    63    67    56    51    52    53    73    79    80    90    91    92  
   54    55    60    51    79    90    91    92  
   52    53    54    56    90  
    0  
   58    59    62    71    93    73    74    75    79    80    90    91    92    56    57  
   55    60    61    63    64    65    66    67    68    69    70    79    90    91    92  
   60    61    63    67    90  
   57    58    79  
    0  
   59    62    71    72    81    93    96    73    79    80    90  
   62    71    93    79  
   61    63    64    65    66    67    68    69    70    90  
   63    64    65    66    67    68    69    70  
   71    72    76    81    93    96    97    94    78    73    74    75    79  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    76    77    81    93    96    78    82    86    73    74    75    79    80    90  
   76    77    81    93    94    78    82    83    84    85    86    87    88    89    73    74    75    79  
   74    75    79    80    90    91    92    76    78    93  
   75    79    80    90  
   79    80    90  
   77    81    93    96    94    95    98    78    82    86  
   81    93    94    78  
   82    83    84    85    86    87    88    89    81  
   80    90    91    92  
   90    91    92  
   93    96    97    94    95    98    99   100  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92  
   92  
    0  
   96    97    94    95    98  
   95    98    99   100   101   102   103    96  
   98    99   100  
   97  
    0  
   99   100   101   102   103   104   105   109  
  100   101   102   103  
  101   102   103   104   105   106   107   108   109   110   111   112  
  102   103   104   105   109  
  103   104   105   109  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   61   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   94   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   95   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  100   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
  104   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  109   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.6450   1.4500   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   570.000  1.307
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   317.000  1.522
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    48   317.000  1.510
   44    49   268.000  1.529
   44    51   320.000  1.410
   48    53   549.000  1.340
   48    56   510.000  1.338
   53    58   320.000  1.462
   53    79   317.000  1.510
   58    59   570.000  1.229
   58    62   310.000  1.470
   62    71   469.000  1.400
   62    93   469.000  1.400
   71    72   469.000  1.400
   71    73   317.000  1.510
   72    76   469.000  1.400
   72    78   481.000  1.340
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    93   469.000  1.400
   81    94   360.000  1.404
   93    96   450.000  1.364
   96    97   553.000  0.945
   94    95   434.000  1.010
   94    98   490.000  1.335
   98    99   570.000  1.229
   98   100   317.000  1.522
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   367.000  1.471
  103   104   434.000  1.010
  103   105   367.000  1.471
  103   109   367.000  1.471
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   78    82   382.000  1.448
   78    86   382.000  1.448
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   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    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    49   268.000  1.529
   49    50   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    60   367.000  1.471
   60    61   434.000  1.010
   60    63   367.000  1.471
   60    67   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    57   553.000  0.945
   51    52   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    47   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    63.00000  111.10000
   33    54    49    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    60    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.00000
   38    42    43    80.00000  120.40000
   38    42    45    70.00000  116.60000
   40    38    39    35.00000  109.50000
   40    44    48    70.00000  109.06800
   40    44    49    63.00000  111.10000
   40    44    51    90.00000  109.61100
   44    40    41    80.00000  120.40000
   44    48    53    70.00000  124.00000
   44    48    56    90.00000  109.34000
   44    49    90    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    54    58.35000  112.70000
   44    51    52    55.00000  108.50000
   48    53    58    65.00000  118.96000
   48    53    79    70.00000  124.00000
   48    56    57    70.00000  107.45700
   53    58    59    80.00000  123.72100
   53    58    62    65.00000  117.02400
   53    79    73    70.00000  112.02700
   53    79    80    35.00000  109.50000
   53    79    90    70.00000  112.02700
   58    62    71    60.00000  119.52600
   58    62    93    60.00000  119.52600
   62    58    59    75.00000  123.78400
   62    71    72    63.00000  120.00000
   62    71    73    70.00000  120.00000
   62    93    81    63.00000  120.00000
   62    93    96    70.00000  120.00000
   71    72    76    63.00000  120.00000
   71    72    78    70.00000  120.10000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    79    70.00000  112.17500
   72    76    77    35.00000  120.00000
   72    76    81    63.00000  120.00000
   72    78    82    50.00000  120.00000
   72    78    86    50.00000  120.00000
   76    81    93    63.00000  120.00000
   76    81    94    70.00000  119.01900
   81    76    77    35.00000  120.00000
   81    93    96    70.00000  120.00000
   81    94    95    45.00000  118.23600
   81    94    98    65.00000  121.96500
   93    62    71    63.00000  120.00000
   93    96    97    35.00000  113.00000
   94    81    93    70.00000  119.01900
   94    98    99    80.00000  122.90000
   94    98   100    70.00000  116.60000
   98    94    95    35.00000  119.80000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    80.00000  111.20000
  100    98    99    80.00000  120.40000
  100   103   104    35.00000  109.50000
  100   103   105    75.00000  113.01200
  100   103   109    75.00000  113.01200
  102   100   101    33.00000  107.80000
  103   100   101    35.00000  109.50000
  103   100   102    35.00000  109.50000
  103   105   106    35.00000  109.50000
  103   105   107    35.00000  109.50000
  103   105   108    35.00000  109.50000
  103   109   110    35.00000  109.50000
  103   109   111    35.00000  109.50000
  103   109   112    35.00000  109.50000
  105   103   104    35.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    35.00000  109.50000
  109   103   105    75.00000  113.01200
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   78    72    76    70.00000  120.10000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    85    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    88    35.00000  109.50000
   78    86    89    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    78    82    50.00000  115.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   73    71    72    70.00000  120.00000
   73    79    80    37.50000  110.70000
   73    79    90    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    53    58    65.00000  116.34900
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    90    91    37.50000  110.70000
   79    90    92    37.50000  110.70000
   79    90    49    58.35000  112.70000
   90    79    80    37.50000  110.70000
   90    49    50    37.50000  110.70000
   90    49    54    58.35000  112.70000
   92    90    91    33.00000  107.80000
   49    44    48    70.00000  112.02700
   49    90    91    37.50000  110.70000
   49    90    92    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    60    80.00000  111.20000
   54    33    34    50.00000  109.50000
   54    33    38    58.35000  112.70000
   54    49    50    37.50000  110.70000
   54    60    61    35.00000  109.50000
   54    60    63    75.00000  113.01200
   54    60    67    75.00000  113.01200
   60    54    55    35.00000  109.50000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   63    60    61    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    63    75.00000  113.01200
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    48    53    80.00000  121.38400
   51    44    48    90.00000  110.39200
   51    44    49    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  107.85200
   42    45    46    35.00000  119.80000
   42    45    47    35.00000  119.80000
   45    42    43    80.00000  122.90000
   47    45    46    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
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   54    60    63    64   0.15000  1.0 3.0
   54    60    63    65   0.15000  1.0 3.0
   54    60    63    66   0.15000  1.0 3.0
   54    60    67    68   0.15000  1.0 3.0
   54    60    67    69   0.15000  1.0 3.0
   54    60    67    70   0.15000  1.0 3.0
   55    54    60    61   0.13050  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    60    67   0.15000  1.0 3.0
   61    60    63    64   0.13050  1.0 3.0
   61    60    63    65   0.13050  1.0 3.0
   61    60    63    66   0.13050  1.0 3.0
   61    60    67    68   0.13050  1.0 3.0
   61    60    67    69   0.13050  1.0 3.0
   61    60    67    70   0.13050  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  1.0 3.0
   56    48    53    58   7.00000 -1.0 2.0
   56    48    53    79   7.00000 -1.0 2.0
   51    44    48    53   0.67800  1.0 1.0
   51    44    48    53   0.47050 -1.0 2.0
   51    44    48    53  -0.62500  1.0 3.0
   51    44    48    56   0.09700  1.0 1.0
   51    44    48    56   0.15600 -1.0 2.0
   51    44    48    56  -0.50800  1.0 3.0
   51    44    49    90   0.86500  1.0 1.0
   51    44    49    90  -0.17500 -1.0 2.0
   51    44    49    90   0.20800  1.0 3.0
   51    44    49    50   0.23400  1.0 3.0
   51    44    49    54   0.86500  1.0 1.0
   51    44    49    54  -0.17500 -1.0 2.0
   51    44    49    54   0.20800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.65300  1.0 1.0
   42    38    40    44  -0.03850 -1.0 2.0
   42    38    40    44   0.33900  1.0 3.0
   43    42    45    46   2.45000 -1.0 2.0
   43    42    45    47   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   44    56    48    53   1.10000 -1.0 2.0
   58    79    53    48   1.10000 -1.0 2.0
   53    62    58    59  10.50000 -1.0 2.0
   71    93    62    58   4.00000 -1.0 2.0
   72    73    71    62   4.00000 -1.0 2.0
   76    78    72    71   4.00000 -1.0 2.0
   81    77    76    72   1.10000 -1.0 2.0
   93    94    81    76   4.00000 -1.0 2.0
   81    96    93    62   4.00000 -1.0 2.0
   95    98    94    81   1.00000 -1.0 2.0
   94   100    98    99  10.50000 -1.0 2.0
   86    72    78    82   1.00000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
   47    42    45    46   1.00000 -1.0 2.0
END
