* LIGAND DATABASE FILE (OPLS2005)
*
001     111   114    225    368     687
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    66.84923    72.38194
    3     1 S   H    _H1_     3     1.02142    45.90223  -133.58786
    4     1 S   H    _H2_     4     1.02050   104.98868   -31.89950
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.83039    97.89610  -178.15093
   34    33 S   HC   _H3_    37     1.09846   104.00254    33.13857
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.53862   110.34028   -80.00503
   39    38 S   HC   _H43    39     1.09731   108.87609   156.82389
   40    38 S   HC   _H44    40     1.09749   109.92470    42.67533
   41    38 S   CT   _C14    41     1.53772   114.16847   -81.40541
   42    41 S   HC   _H49    42     1.09361   107.37085    67.60989
   43    41 S   CT   _C12    43     1.53538   111.09726  -173.98350
   44    43 S   HC   _H47    44     1.10296   106.46129    64.04461
   45    41 S   CT   _C13    60     1.56510   111.60306   -52.83847
   46    45 S   HC   _H48    61     1.09866   106.70860   -61.31230
   47    43 S   CT   _C4_    45     1.52627   119.05412   -55.31042
   48    47 S   HC   _H31    46     1.09471   111.92903    78.69979
   49    47 S   HC   _H32    47     1.09560   111.51456   -41.88030
   50    45 S   CT   _C19    62     1.57693   111.83919    55.84416
   51    47 S   CT   _C6_    48     1.53921   104.15159  -161.05405
   52    51 S   HC   _H35    49     1.09629   109.79632   129.08850
   53    51 S   HC   _H36    50     1.09501   111.04771  -112.44459
   54    50 S   CT   _C9_    63     1.56438   110.23904  -172.65580
   55    54 S   HC   _H41    64     1.09686   110.04791    51.30551
   56    54 S   HC   _H42    65     1.09679   110.58888   -65.52579
   57    50 S   CT   _C22    79     1.55223   110.04076    69.56595
   58    57 S   HC   _H56    80     1.08131   108.54246   -60.24262
   59    57 S   HC   _H57    81     1.07981   108.59802   179.78150
   60    57 S   HC   _H58    82     1.08046   108.58839    59.68362
   61    51 S   CT   _C15    51     1.54661   106.29349     7.61510
   62    61 S   HC   _H50    52     1.09978   107.56989   -93.06036
   63    54 S   CT   _C7_    66     1.53088   113.16711   173.46802
   64    63 S   HC   _H37    67     1.09645   110.32462    69.31743
   65    63 S   HC   _H38    68     1.09771   109.43877  -175.74218
   66    43 S   CT   _C18    53     1.54338   113.00866  -177.14672
   67    63 S   CT   _C16    69     1.52574   112.80080   -53.93141
   68    67 S   HC   _H51    70     1.09679   109.11437   -71.44606
   69    61 S   CT   _C29    87     1.52192   112.87906   149.04741
   70    69 S   HC   _H74    88     1.10002   108.64049   -80.00700
   71    66 S   CT   _C8_    54     1.53508   107.77658   -62.43228
   72    71 S   HC   _H39    55     1.09698   110.10601   -63.86840
   73    71 S   HC   _H40    56     1.09656   110.63332   178.94353
   74    67 S   CT   _C11    71     1.53199   112.36437    51.13810
   75    74 S   HC   _H45    72     1.09482   109.34821    72.37029
   76    74 S   HC   _H46    73     1.09871   107.76014  -173.61417
   77    67 S   OH   _O28    77     1.42562   108.45095   172.23686
   78    77 S   HO   _H76    78     0.96979   106.55466   179.98022
   79    66 S   CT   _C21    83     1.54996   114.14812    59.65391
   80    79 S   HC   _H53    84     1.08141   108.70065    58.94906
   81    79 S   HC   _H54    85     1.08139   108.63605   -61.00165
   82    79 S   HC   _H55    86     1.08085   108.71479   178.97952
   83    69 S   CT   _C23    89     1.53415   109.86141   162.66861
   84    83 S   HC   _H59    90     1.09508   111.15050   -61.92306
   85    83 S   HC   _H60    91     1.09514   110.70172    58.15509
   86    83 S   HC   _H61    92     1.09512   111.08415   177.61608
   87    69 S   CT   _C27    93     1.54363   112.88419    40.19253
   88    87 S   HC   _H70    94     1.09759   109.62921   180.00000
   89    87 S   HC   _H71    95     1.09610   108.37573   -63.77204
   90    71 S   CT   _C5_    57     1.53964   111.64299    56.75501
   91    90 S   HC   _H33    58     1.09367   108.90531    70.64571
   92    90 S   HC   _H34    59     1.09505   107.39295  -174.50706
   93    33 S   CT   _C20    74     1.55215   116.43031   151.49705
   94    87 S   CT   _C26    96     1.53181   113.31576    57.43537
   95    94 S   HC   _H68    97     1.09555   109.55288    62.99414
   96    94 S   HC   _H69    98     1.09619   109.99734   -53.42882
   97    93 S   OH   _O29    75     1.45572   104.97541  -163.80611
   98    97 S   HO   _H77    76     0.96127   104.86475    58.79124
   99    94 S   CT   _C28    99     1.53447   113.52676  -177.31445
  100    99 S   HC   _H72   100     1.09771   108.39453    59.98962
  101    99 S   HC   _H73   101     1.09819   107.85159   -54.46366
  102    99 S   CT   _C30   102     1.53996   116.16813  -177.11568
  103   102 S   HC   _H75   103     1.09594   109.25888    57.18269
  104   102 S   CT   _C24   104     1.53242   109.65744   -60.02216
  105   104 S   HC   _H62   105     1.09498   111.31982   -61.48376
  106   104 S   HC   _H63   106     1.09520   110.82893   178.22590
  107   104 S   HC   _H64   107     1.09540   110.77186    58.79717
  108   102 S   CT   _C25   108     1.52893   112.54140   177.56313
  109   108 S   HC   _H65   109     1.09431   111.27838    59.08547
  110   108 S   HC   _H66   110     1.09454   111.26460   179.87489
  111   108 S   HC   _H67   111     1.09475   110.74913   -60.00469
  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   6   5  20   8  22   9  21   8  11   6
   5  21  11   5   4  16   7   6   8   3   2   1  20   7  10   5
   4  14   8   6  14   8   9   5   4   7   4   3   2   1   4   2
   1   1   7   3   2   1   9   5   4   3   1   1   2   9   5   4
   1   1  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    93    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    74    93    97  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    50    54    67    74    75    76    93    97    98    57  
   38    39    40    41    50    74    93    97  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    66    90    45    46    50    74    93    97  
   40    41    42    43    45    93  
   41    42    43    45    93  
   42    43    44    47    48    49    51    61    66    71    90    91    92    45    46    50    54    93    57    79  
   43    44    47    66    90    45    46    50  
   44    47    48    49    51    52    53    61    62    66    71    72    73    90    45    46    50    79    80    81    82    69  
   47    48    49    51    61    66    71    45    79  
   46    50    54    55    56    63    74    93    97    57    58    59    60    47    66    71    72    73    90    91    92  
   50    54    93    57    71    90    91    92  
   48    49    51    52    53    61    62    66    71    79    69  
   49    51    52    53    61    66  
   51    52    53    61    66  
   54    55    56    63    64    65    67    74    75    76    93    97    98    57    58    59    60    71    90    91    92  
   52    53    61    62    66    71    79    69    70    83    87  
   53    61    62    66    69  
   61    62    66    69  
   55    56    63    64    65    67    68    74    93    97    77    57    58    59    60    90  
   56    63    64    65    67    93    57  
   63    64    65    67    93    57  
   58    59    60    63    74    90    93    97  
   59    60    93  
   60    93  
   93  
   62    66    71    72    73    90    79    80    81    82    69    70    83    84    85    86    87    88    89    94  
   66    71    79    69    70    83    87  
   64    65    67    68    74    75    76    93    77    78  
   65    67    68    74    77  
   67    68    74    77  
   71    72    73    90    91    92    79    80    81    82    69    70    83    87  
   68    74    75    76    93    97    77    78  
   74    75    76    93    77    78  
   70    83    84    85    86    87    88    89    94    95    96    99    71    79  
   83    84    85    86    87    88    89    94  
   72    73    90    91    92    79    80    81    82  
   73    90    91    92    79  
   90    91    92    79  
   75    76    93    97    98    77    78  
   76    93    97    77  
   93    97    77  
   78    93  
    0  
   80    81    82    90  
   81    82  
   82  
    0  
   84    85    86    87    88    89    94  
   85    86    87  
   86    87  
   87  
   88    89    94    95    96    99   100   101   102  
   89    94    95    96    99  
   94    95    96    99  
   91    92    93  
   92  
    0  
   97    98  
   95    96    99   100   101   102   103   104   108  
   96    99   100   101   102  
   99   100   101   102  
   98  
    0  
  100   101   102   103   104   105   106   107   108   109   110   111  
  101   102   103   104   108  
  102   103   104   108  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    93   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    69   268.000  1.529
   66    71   268.000  1.529
   66    79   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    45   268.000  1.529
   45    46   340.000  1.090
   45    50   268.000  1.529
   50    54   268.000  1.529
   50    93   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    74   268.000  1.529
   67    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    93   268.000  1.529
   93    97   320.000  1.410
   97    98   553.000  0.945
   77    78   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    70   340.000  1.090
   69    83   268.000  1.529
   69    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    93    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    93    50    58.35000  112.70000
   33    93    74    58.35000  112.70000
   33    93    97    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    66    58.35000  112.70000
   41    45    90    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    71    58.35000  112.70000
   43    66    79    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    66    58.35000  112.70000
   51    61    69    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    71    58.35000  112.70000
   61    66    79    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    83    58.35000  112.70000
   61    69    87    58.35000  112.70000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    90    58.35000  112.70000
   66    79    80    37.50000  110.70000
   66    79    81    37.50000  110.70000
   66    79    82    37.50000  110.70000
   71    90    91    37.50000  110.70000
   71    90    92    37.50000  110.70000
   71    90    45    58.35000  112.70000
   73    71    72    33.00000  107.80000
   90    71    72    37.50000  110.70000
   90    71    73    37.50000  110.70000
   90    45    46    37.50000  110.70000
   90    45    50    58.35000  112.70000
   92    90    91    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    58.35000  112.70000
   45    90    91    37.50000  110.70000
   45    90    92    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    93    58.35000  112.70000
   45    50    57    58.35000  112.70000
   50    45    46    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   50    93    74    58.35000  112.70000
   50    93    97    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    74    58.35000  112.70000
   63    67    77    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    93    58.35000  112.70000
   67    77    78    55.00000  108.50000
   74    67    68    37.50000  110.70000
   74    93    97    50.00000  109.50000
   76    74    75    33.00000  107.80000
   93    33    34    37.50000  110.70000
   93    33    38    58.35000  112.70000
   93    50    54    58.35000  112.70000
   93    74    75    37.50000  110.70000
   93    74    76    37.50000  110.70000
   93    97    98    55.00000  108.50000
   77    67    68    35.00000  109.50000
   77    67    74    50.00000  109.50000
   57    50    54    58.35000  112.70000
   57    50    93    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   79    66    71    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    66    58.35000  112.70000
   69    83    84    37.50000  110.70000
   69    83    85    37.50000  110.70000
   69    83    86    37.50000  110.70000
   69    87    88    37.50000  110.70000
   69    87    89    37.50000  110.70000
   69    87    94    58.35000  112.70000
   83    69    70    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    69    70    37.50000  110.70000
   87    69    83    58.35000  112.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    99    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    58.35000  112.70000
   96    94    95    33.00000  107.80000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    58.35000  112.70000
   99   102   108    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  104   102   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    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
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   54    63    67    77   0.20800  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    67   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    67   0.15000  1.0 3.0
   63    67    74    75   0.15000  1.0 3.0
   63    67    74    76   0.15000  1.0 3.0
   63    67    74    93   0.56750  1.0 1.0
   63    67    74    93  -0.07550 -1.0 2.0
   63    67    74    93   0.20000  1.0 3.0
   63    67    77    78  -0.11600  1.0 1.0
   63    67    77    78  -0.09450 -1.0 2.0
   63    67    77    78   0.21250  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    74   0.15000  1.0 3.0
   64    63    67    77   0.23400  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    74   0.15000  1.0 3.0
   65    63    67    77   0.23400  1.0 3.0
   67    74    93    33   0.56750  1.0 1.0
   67    74    93    33  -0.07550 -1.0 2.0
   67    74    93    33   0.20000  1.0 3.0
   67    74   -93    50   0.56750  1.0 1.0
   67    74   -93    50  -0.07550 -1.0 2.0
   67    74   -93    50   0.20000  1.0 3.0
   67    74    93    97   0.86500  1.0 1.0
   67    74    93    97  -0.17500 -1.0 2.0
   67    74    93    97   0.20800  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    93   0.15000  1.0 3.0
   68    67    77    78   0.19450  1.0 3.0
   74    67    77    78  -0.11600  1.0 1.0
   74    67    77    78  -0.09450 -1.0 2.0
   74    67    77    78   0.21250  1.0 3.0
   74    93    97    98  -0.11600  1.0 1.0
   74    93    97    98  -0.09450 -1.0 2.0
   74    93    97    98   0.21250  1.0 3.0
   75    74    93    33   0.15000  1.0 3.0
   75    74    93    50   0.15000  1.0 3.0
   75    74    93    97   0.23400  1.0 3.0
   76    74    93    33   0.15000  1.0 3.0
   76    74    93    50   0.15000  1.0 3.0
   76    74    93    97   0.23400  1.0 3.0
   93    33    38    39   0.15000  1.0 3.0
   93    33    38    40   0.15000  1.0 3.0
   93    33   -38    41   0.56750  1.0 1.0
   93    33   -38    41  -0.07550 -1.0 2.0
   93    33   -38    41   0.20000  1.0 3.0
   93    50    54    55   0.15000  1.0 3.0
   93    50    54    56   0.15000  1.0 3.0
   93    50   -54    63   0.56750  1.0 1.0
   93    50   -54    63  -0.07550 -1.0 2.0
   93    50   -54    63   0.20000  1.0 3.0
   93    50    57    58   0.15000  1.0 3.0
   93    50    57    59   0.15000  1.0 3.0
   93    50    57    60   0.15000  1.0 3.0
   77    67    74    75   0.23400  1.0 3.0
   77    67    74    76   0.23400  1.0 3.0
   77    67    74    93   0.86500  1.0 1.0
   77    67    74    93  -0.17500 -1.0 2.0
   77    67    74    93   0.20800  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    63   0.56750  1.0 1.0
   57    50    54    63  -0.07550 -1.0 2.0
   57    50    54    63   0.20000  1.0 3.0
   57    50    93    33   0.56750  1.0 1.0
   57    50    93    33  -0.07550 -1.0 2.0
   57    50    93    33   0.20000  1.0 3.0
   57    50    93    74   0.56750  1.0 1.0
   57    50    93    74  -0.07550 -1.0 2.0
   57    50    93    74   0.20000  1.0 3.0
   57    50    93    97   0.86500  1.0 1.0
   57    50    93    97  -0.17500 -1.0 2.0
   57    50    93    97   0.20800  1.0 3.0
   79    66    71    72   0.15000  1.0 3.0
   79    66    71    73   0.15000  1.0 3.0
   79    66    71    90   0.56750  1.0 1.0
   79    66    71    90  -0.07550 -1.0 2.0
   79    66    71    90   0.20000  1.0 3.0
   69    61    66    43   0.56750  1.0 1.0
   69    61    66    43  -0.07550 -1.0 2.0
   69    61    66    43   0.20000  1.0 3.0
   69    61    66    71   0.56750  1.0 1.0
   69    61    66    71  -0.07550 -1.0 2.0
   69    61    66    71   0.20000  1.0 3.0
   69    61    66    79   0.56750  1.0 1.0
   69    61    66    79  -0.07550 -1.0 2.0
   69    61    66    79   0.20000  1.0 3.0
   69    87    94    95   0.15000  1.0 3.0
   69    87    94    96   0.15000  1.0 3.0
   69    87    94    99   0.56750  1.0 1.0
   69    87    94    99  -0.07550 -1.0 2.0
   69    87    94    99   0.20000  1.0 3.0
   70    69    83    84   0.15000  1.0 3.0
   70    69    83    85   0.15000  1.0 3.0
   70    69    83    86   0.15000  1.0 3.0
   70    69    87    88   0.15000  1.0 3.0
   70    69    87    89   0.15000  1.0 3.0
   70    69    87    94   0.15000  1.0 3.0
   83    69    87    88   0.15000  1.0 3.0
   83    69    87    89   0.15000  1.0 3.0
   83    69    87    94   0.56750  1.0 1.0
   83    69    87    94  -0.07550 -1.0 2.0
   83    69    87    94   0.20000  1.0 3.0
   87    69    83    84   0.15000  1.0 3.0
   87    69    83    85   0.15000  1.0 3.0
   87    69    83    86   0.15000  1.0 3.0
   87    94    99   100   0.15000  1.0 3.0
   87    94    99   101   0.15000  1.0 3.0
   87    94    99   102   0.56750  1.0 1.0
   87    94    99   102  -0.07550 -1.0 2.0
   87    94    99   102   0.20000  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94    99   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94    99   0.15000  1.0 3.0
   94    99   102   103   0.15000  1.0 3.0
   94    99   102   104   0.56750  1.0 1.0
   94    99   102   104  -0.07550 -1.0 2.0
   94    99   102   104   0.20000  1.0 3.0
   94    99   102   108   0.56750  1.0 1.0
   94    99   102   108  -0.07550 -1.0 2.0
   94    99   102   108   0.20000  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.15000  1.0 3.0
   96    94    99   100   0.15000  1.0 3.0
   96    94    99   101   0.15000  1.0 3.0
   96    94    99   102   0.15000  1.0 3.0
   99   102   104   105   0.15000  1.0 3.0
   99   102   104   106   0.15000  1.0 3.0
   99   102   104   107   0.15000  1.0 3.0
   99   102   108   109   0.15000  1.0 3.0
   99   102   108   110   0.15000  1.0 3.0
   99   102   108   111   0.15000  1.0 3.0
  100    99   102   103   0.15000  1.0 3.0
  100    99   102   104   0.15000  1.0 3.0
  100    99   102   108   0.15000  1.0 3.0
  101    99   102   103   0.15000  1.0 3.0
  101    99   102   104   0.15000  1.0 3.0
  101    99   102   108   0.15000  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.15000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   0.15000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
END
