* LIGAND DATABASE FILE (OPLS2005)
*
001     113   115    207    320     599
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02090    92.15445    36.87064
    3     1 S   H    _H1_     3     1.02136    33.01547   158.97579
    4     1 S   H    _H2_     4     1.02163    88.33516   -71.77783
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.56590    58.74922
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.84624    97.43644   161.84812
   34    33 S   HC   _H4_    37     1.09251   104.03568    35.88832
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CT1  _C17    38     1.54372   108.33318   -79.96980
   39    38 S   HC   _H28    39     1.11835   110.73276    38.64630
   40    38 S   CO4  _C22    40     1.52010   115.66220   -83.37391
   41    40 S   O    _O34    41     1.22618   122.96159   179.70792
   42    38 S   N    _N4_    77     1.44406   111.68505   156.33563
   43    42 S   H    _H27    78     1.01676   117.38338    90.25177
   44    40 S   C3T  _C21    42     1.47601   117.43451    -2.24027
   45    44 S   HC   _H6_    43     1.07865   116.63012   130.79634
   46    42 S   C    _C16    79     1.38278   122.49913   -90.58446
   47    46 S   O    _O33    80     1.22838   125.56669    -0.01978
   48    44 S   C3T  _C20    44     1.50652   120.68570   -22.07941
   49    48 S   HC   _H5_    45     1.07246   119.29299   153.74112
   50    46 S   CM   _C14    81     1.49723   114.15659   177.20915
   51    33 S   CT   _C19    46     1.55907   112.54620   154.33174
   52    44 S   O3T  _O35    76     1.43350   113.18843   -87.90301
   53    50 S   CM   _C13    82     1.34603   117.94143    59.96940
   54    53 S   HC   _H23    83     1.09011   119.66031    -1.71965
   55    50 S   CT   _C15   110     1.49824   114.94372  -120.94117
   56    55 S   HC   _H24   111     1.09299   112.66050   -89.04250
   57    55 S   HC   _H25   112     1.09627   110.32209   151.93691
   58    55 S   HC   _H26   113     1.09428   110.37428    32.33939
   59    51 S   CM   _C23    47     1.50611   112.10361   -59.95827
   60    59 S   HC   _H29    48     1.08656   116.14366   124.51291
   61    51 S   OH   _O39    74     1.43609   108.61767  -175.62968
   62    61 S   HO   _H40    75     0.96717   106.03875    60.12440
   63    53 S   CM   _C11    84     1.45861   127.16819   178.81750
   64    59 S   CM   _C24    49     1.34147   123.57945   -55.90353
   65    64 S   HC   _H30    50     1.08821   119.59624    -1.64889
   66    63 S   CM   _C10    85     1.34870   121.07924   -40.05316
   67    66 S   HC   _H19    86     1.09020   118.02138    -1.12865
   68    63 S   CT   _C12   106     1.50344   113.39719   142.18693
   69    68 S   HC   _H20   107     1.09168   113.40504    89.95194
   70    68 S   HC   _H21   108     1.09590   110.38499   -31.18374
   71    68 S   HC   _H22   109     1.09586   110.36562  -150.78836
   72    64 S   CM   _C25    51     1.44635   125.34666  -178.51220
   73    72 S   HC   _H31    52     1.08815   114.65777     3.17558
   74    66 S   CT   _C8_    87     1.51319   127.90116   180.00000
   75    74 S   HC   _H3_    88     1.09472   111.18681     0.03426
   76    72 S   CM   _C26    53     1.34169   125.15604   180.00000
   77    76 S   HC   _H32    54     1.08816   120.17325     1.31581
   78    74 S   CT   _C9_    89     1.53272   109.02164  -117.24880
   79    78 S   HC   _H16    90     1.09615   110.94052   -59.80152
   80    78 S   HC   _H17    91     1.09543   110.69797  -179.22620
   81    78 S   HC   _H18    92     1.09589   111.61680    60.64808
   82    74 S   CT   _C7_    93     1.54072   111.62337   121.17996
   83    82 S   HC   _H14    94     1.09772   110.06229   179.98022
   84    82 S   HC   _H15    95     1.09840   108.93385    63.46007
   85    76 S   CM   _C27    55     1.44717   122.95576  -178.52568
   86    85 S   HC   _H33    56     1.08717   116.74249     0.05595
   87    82 S   CT   _C6_    96     1.53267   112.97510   -57.24721
   88    87 S   HC   _H12    97     1.09497   110.27667   -61.90995
   89    87 S   HC   _H13    98     1.09626   109.51174    55.78155
   90    85 S   CM   _C28    57     1.34029   122.73763  -179.92867
   91    90 S   HC   _H34    58     1.08542   121.30902    -0.04846
   92    87 S   CT   _C5_    99     1.52895   111.22964   176.94155
   93    92 S   HC   _H10   100     1.09654   109.91207   -57.03371
   94    92 S   HC   _H11   101     1.09627   109.86020    60.73216
   95    90 S   C    _C29    59     1.49034   120.23867  -179.92087
   96    95 S   O    _O36    60     1.22785   122.34172    -0.02798
   97    92 S   CT   _C4_   102     1.52054   111.49983  -178.15984
   98    97 S   HC   _H7_   103     1.09427   110.23330   -58.37010
   99    97 S   HC   _H8_   104     1.09397   111.07366  -178.21064
  100    97 S   HC   _H9_   105     1.09504   110.97371    61.30087
  101    95 S   N    _N5_    61     1.38631   111.70187   180.00000
  102   101 S   H    _H35    62     1.01696   120.13352     0.00000
  103   101 S   CM   _C30    63     1.36447   123.50598  -179.98022
  104   103 S   CMA  _C31    64     1.34085   128.68743    29.99083
  105   104 S   OM   _O38    65     1.25844   134.47515     0.04423
  106   104 S   CT   _C32    66     1.51758   111.51294   180.00000
  107   106 S   HC   _H36    67     1.09755   111.74385   119.68955
  108   106 S   HC   _H37    68     1.09844   111.68193  -119.51991
  109   106 S   CT   _C33    69     1.52929   106.12612     0.09279
  110   109 S   HC   _H38    70     1.09348   111.46146  -118.08573
  111   109 S   HC   _H39    71     1.09323   111.47474   117.96206
  112   103 S   CO4  _C34    72     1.46910   122.75085  -150.03676
  113   112 S   O    _O37    73     1.22192   124.17744    -0.04423
  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  10   5   8   3   7   4   9   3   8
   4   9   8   2  13   4   4   2   1   1   8   4   2   1  10   6
   3  15   5   4   2   1   1   6   3  12   8   6   3   7   3   2
   1   9   5   4   6   3   9   5   4   6   3   6   5   4   6   3
   3   2   1   1   8   3  10   9   5   7   5   4   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    59    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    59    60    64    61    62    52    42    43    46  
   38    39    40    48    51    59    61    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    51    59    61    52    42    43    46    47    50  
   40    41    44    51    42    43    46  
   41    44    45    48    49    51    52    42    43    46  
   44    45    48    52    42  
   43    46    47    50    53    55    44    51  
   46    47    50  
   45    48    49    51    59    61    52  
   48    49    51    52  
   47    50    53    54    63    55    56    57    58  
   50    53    55  
   49    51    59    60    64    61    62    52  
   51    59    61    52  
   53    54    63    66    68    55    56    57    58  
   59    60    64    65    72    61    62    52  
   59    61  
   54    63    66    67    74    68    69    70    71    55    56    57    58  
   63    66    68    55  
   56    57    58    63  
   57    58  
   58  
    0  
   60    64    65    72    73    76    61    62  
   64    65    72    61  
   62    64  
    0  
   66    67    74    75    78    82    68    69    70    71  
   65    72    73    76    77    85  
   72    73    76  
   67    74    75    78    79    80    81    82    83    84    87    68    69    70    71  
   74    75    78    82    68  
   69    70    71    74  
   70    71  
   71  
    0  
   73    76    77    85    86    90  
   76    77    85  
   75    78    79    80    81    82    83    84    87    88    89    92  
   78    79    80    81    82    83    84    87  
   77    85    86    90    91    95  
   85    86    90  
   79    80    81    82    83    84    87  
   80    81    82  
   81    82  
   82  
   83    84    87    88    89    92    93    94    97  
   84    87    88    89    92  
   87    88    89    92  
   86    90    91    95    96   101  
   90    91    95  
   88    89    92    93    94    97    98    99   100  
   89    92    93    94    97  
   92    93    94    97  
   91    95    96   101   102   103  
   95    96   101  
   93    94    97    98    99   100  
   94    97    98    99   100  
   97    98    99   100  
   96   101   102   103   104   112  
  101   102   103  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   109   112   113  
  103   104   112  
  104   105   106   107   108   109   110   111   112   113  
  105   106   107   108   109   110   111   112   113  
  106   107   108   109   112  
  107   108   109   110   111   112   113  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  102   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  103   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
  104   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
  105   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
  106   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  109   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  112   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   255.000  1.522
   38    42   337.000  1.449
   40    41   570.000  1.229
   40    44   290.000  1.496
   44    45   340.000  1.088
   44    48   260.000  1.509
   44    52   335.000  1.432
   48    49   340.000  1.088
   48    51   275.000  1.510
   48    52   335.000  1.432
   51    59   317.000  1.510
   51    61   320.000  1.410
   59    60   340.000  1.080
   59    64   549.000  1.340
   64    65   340.000  1.080
   64    72   380.000  1.444
   72    73   340.000  1.080
   72    76   549.000  1.340
   76    77   340.000  1.080
   76    85   380.000  1.444
   85    86   340.000  1.080
   85    90   549.000  1.340
   90    91   340.000  1.080
   90    95   410.000  1.444
   95    96   570.000  1.229
   95   101   490.000  1.335
  101   102   434.000  1.010
  101   103   400.000  1.384
  103   104   465.000  1.376
  103   112   320.000  1.462
  104   105   745.000  1.250
  104   106   270.000  1.512
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   317.000  1.522
  112   113   570.000  1.229
   61    62   553.000  0.945
   42    43   434.000  1.010
   42    46   490.000  1.335
   46    47   570.000  1.229
   46    50   410.000  1.444
   50    53   549.000  1.340
   50    55   317.000  1.510
   53    54   340.000  1.080
   53    63   380.000  1.444
   63    66   549.000  1.340
   63    68   317.000  1.510
   66    67   340.000  1.080
   66    74   317.000  1.510
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    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    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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  108.68000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  110.61500
   33    38    42    80.00000  109.70000
   33    51    48    70.00000  112.37300
   33    51    59    70.00000  112.02700
   33    51    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    75.00000  123.42600
   38    40    44    65.00000  117.09000
   38    42    43    38.00000  118.40000
   38    42    46    50.00000  121.90000
   40    38    39    45.00000  110.09800
   40    44    45    40.00000  116.18000
   40    44    48    65.00000  117.18000
   40    44    52    80.00000  114.91000
   44    40    41    75.00000  121.36600
   44    48    49    37.50000  117.20000
   44    48    51    60.00000  120.94000
   44    48    52    15.00000   60.43100
   44    52    48    15.00000   59.14900
   48    44    45    37.50000  117.20000
   48    51    59    70.00000  112.02700
   48    51    61    50.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    40.00000  115.04500
   51    59    60    35.00000  117.00000
   51    59    64    70.00000  124.00000
   51    61    62    55.00000  108.50000
   59    64    65    35.00000  120.00000
   59    64    72    70.00000  123.01800
   64    59    60    35.00000  120.00000
   64    72    73    35.00000  120.00000
   64    72    76    70.00000  123.01800
   72    64    65    35.00000  120.00000
   72    76    77    35.00000  120.00000
   72    76    85    70.00000  123.01800
   76    72    73    35.00000  120.00000
   76    85    86    35.00000  120.00000
   76    85    90    70.00000  123.01800
   85    76    77    35.00000  120.00000
   85    90    91    35.00000  120.00000
   85    90    95    70.00000  118.70000
   90    85    86    35.00000  120.00000
   90    95    96    80.00000  125.30000
   90    95   101    80.00000  111.56200
   95    90    91    35.00000  119.70000
   95   101   102    35.00000  119.80000
   95   101   103    70.00000  120.89900
  101    95    96    80.00000  122.90000
  101   103   104    75.00000  120.83300
  101   103   112    70.00000  117.92000
  103   101   102    45.00000  117.55000
  103   104   105    65.00000  137.10300
  103   104   106    65.00000  122.18000
  103   112   109    65.00000  118.62400
  103   112   113    80.00000  123.72100
  104   106   107    45.00000  110.52000
  104   106   108    45.00000  110.52000
  104   106   109    70.00000  112.02700
  106   104   105    85.00000  112.85300
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  106   109   112    63.00000  111.10000
  108   106   107    33.00000  107.80000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  109   112   113    80.00000  120.40000
  111   109   110    33.00000  107.80000
  112   103   104    60.00000  125.92000
  112   109   110    35.00000  109.50000
  112   109   111    35.00000  109.50000
   61    51    59    90.00000  110.39200
   52    44    45    50.00000  114.27700
   52    44    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   52    48    51    80.00000  116.47100
   42    38    39    35.00000  109.50000
   42    38    40    80.00000  110.29000
   42    46    47    80.00000  122.90000
   42    46    50    80.00000  111.56200
   46    42    43    35.00000  119.80000
   46    50    53    70.00000  118.70000
   46    50    55    70.00000  119.70000
   50    46    47    80.00000  125.30000
   50    53    54    35.00000  120.00000
   50    53    63    70.00000  123.01800
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   53    63    66    70.00000  123.01800
   53    63    68    70.00000  124.00000
   63    53    54    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    74    70.00000  124.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   66    74    75    35.00000  109.50000
   66    74    78    70.00000  112.02700
   66    74    82    70.00000  112.02700
   74    66    67    35.00000  117.00000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    81    37.50000  110.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    87    58.35000  112.70000
   78    74    75    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    74    75    37.50000  110.70000
   82    74    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    97    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    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   94    92    93    33.00000  107.80000
   97    92    93    37.50000  110.70000
   97    92    94    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   68    63    66    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    50    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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
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   88    87    92    94   0.15000  1.0 3.0
   88    87    92    97   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    97   0.15000  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   94    92    97    98   0.15000  1.0 3.0
   94    92    97    99   0.15000  1.0 3.0
   94    92    97   100   0.15000  1.0 3.0
   68    63    66    67   7.00000 -1.0 2.0
   68    63    66    74   7.00000 -1.0 2.0
   55    50    53    54   7.00000 -1.0 2.0
   55    50    53    63   7.00000 -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
   51    60    59    64  15.00000 -1.0 2.0
   72    65    64    59  15.00000 -1.0 2.0
   64    73    72    76  15.00000 -1.0 2.0
   85    77    76    72  15.00000 -1.0 2.0
   76    86    85    90  15.00000 -1.0 2.0
   95    91    90    85  15.00000 -1.0 2.0
   90   101    95    96  10.50000 -1.0 2.0
  102    95   101   103   1.00000 -1.0 2.0
  101   112   103   104   1.10000 -1.0 2.0
  106   105   104   103   1.10000 -1.0 2.0
  103   109   112   113  10.50000 -1.0 2.0
   43    46    42    38   1.00000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   46    55    50    53  15.00000 -1.0 2.0
   63    54    53    50  15.00000 -1.0 2.0
   53    68    63    66  15.00000 -1.0 2.0
   74    67    66    63  15.00000 -1.0 2.0
END
