* LIGAND DATABASE FILE (OPLS2005)
*
001     111   112    207    318     618
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036    83.62938    50.05571
    3     1 S   H    _H1_     3     1.02118    34.33393  -172.69897
    4     1 S   H    _H2_     4     1.02053    96.09348   -58.15406
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C7_    36     1.83118    98.02766  -178.16827
   34    33 S   HC   _H4_    37     1.09468   106.09324   -36.64930
   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   CT   _C8_    38     1.52118   110.27891    79.99032
   39    38 S   HC   _H13    39     1.09889   111.27705   -44.33351
   40    38 S   HC   _H14    40     1.09925   109.10722  -162.74528
   41    38 S   CO4  _C9_    41     1.50589   114.85172    76.75315
   42    41 S   O    _O33    42     1.22918   121.35526  -150.16491
   43    41 S   OS   _O34    43     1.35386   116.97242    36.45354
   44    43 S   CT   _C10    44     1.45252   124.21907   -26.51327
   45    44 S   HC   _H5_    45     1.12004   104.60201   148.82959
   46    33 S   CT   _C6_    46     1.53468   115.28293  -156.70722
   47    46 S   HC   _H3_    47     1.15642   106.26697   174.79414
   48    44 S   CM   _C11    55     1.49757   107.43322   -99.35288
   49    48 S   HC   _H15    56     1.08417   115.47724   158.34943
   50    46 S   CT   _C5_    48     1.53123   113.60420    61.48132
   51    50 S   HC   _H11    49     1.08956   108.48683   -63.81396
   52    50 S   HC   _H12    50     1.08950   108.48991    53.55704
   53    48 S   CM   _C12    57     1.34278   123.55051   -21.19828
   54    53 S   HC   _H16    58     1.08826   116.18490     1.44645
   55    50 S   CT   _C4_    51     1.48935   111.27137   174.88006
   56    55 S   HC   _H8_    52     1.09617   109.16937   -59.64045
   57    55 S   HC   _H9_    53     1.09520   111.10751  -178.67544
   58    55 S   HC   _H10    54     1.09460   111.10359    59.45708
   59    53 S   CT   _C13    59     1.52532   128.49023   179.25428
   60    59 S   CT   _C14    60     1.55611   114.62677     0.06256
   61    60 S   HC   _H17    61     1.10107   108.99484  -160.03410
   62    60 S   HC   _H18    62     1.09969   109.30381   -47.52788
   63    59 S   CT   _C16    70     1.56401   111.04395  -127.39975
   64    63 S   HC   _H6_    71     1.09682   108.28046   -60.05707
   65    59 S   OH   _O40   110     1.44068   106.54871   115.16179
   66    65 S   HO   _H43   111     0.96510   105.65930    59.98577
   67    60 S   CT   _C15    63     1.52745   115.48368    77.44106
   68    67 S   HC   _H19    64     1.09298   112.29411    59.92087
   69    67 S   HC   _H20    65     1.09190   113.35402   -64.53756
   70    63 S   CT   _C17    72     1.54784   115.21217    63.04300
   71    70 S   HC   _H24    73     1.09427   110.46245   -59.86733
   72    70 S   HC   _H25    74     1.09776   108.35664    57.73922
   73    63 S   OS   _O36   104     1.43268   108.23955  -175.86744
   74    67 S   NP   _N4_    66     1.48569   108.82576   177.14364
   75    74 S   H    _H21    67     1.02486   110.85515   100.42517
   76    74 S   H    _H22    68     1.02499   110.83828   -19.61444
   77    74 S   H    _H23    69     1.02532   110.82786  -139.58710
   78    70 S   CT   _C18    75     1.54342   115.24412   177.64798
   79    78 S   HC   _H7_    76     1.09677   108.32114  -177.88104
   80    73 S   P2   _P1_   105     1.62770   118.99082    74.59301
   81    80 S   O2Z  _O39   106     1.51329   107.96333   160.01168
   82    80 S   O2Z  _O37   107     1.51385   110.08324    26.77107
   83    78 S   CM   _C19    77     1.50846   112.42170    63.85355
   84    83 S   HC   _H26    78     1.08892   114.98237   -90.88083
   85    78 S   OH   _O35   102     1.42326   110.53256   -61.58150
   86    85 S   HO   _H41   103     0.96950   106.65433   -54.08584
   87    80 S   OS   _O38   108     1.63358    99.75890   -87.24422
   88    87 S   HO   _H42   109     0.98064   118.54821   175.15467
   89    83 S   CM   _C20    79     1.34300   126.17546    88.94556
   90    89 S   HC   _H27    80     1.08669   120.09723  -179.73830
   91    89 S   CM   _C21    81     1.44591   123.01593    -0.03956
   92    91 S   HC   _H28    82     1.08640   117.37730     0.03956
   93    91 S   CM   _C22    83     1.34136   123.09341  -179.98022
   94    93 S   HC   _H29    84     1.08771   120.02159   179.96574
   95    93 S   CT   _C23    85     1.49989   123.70275     0.01978
   96    95 S   HC   _H30    86     1.08112   107.59023   -29.95346
   97    95 S   CT   _C24    87     1.53046   109.91295    88.47717
   98    97 S   HC   _H31    88     1.08980   111.16446    53.12967
   99    97 S   HC   _H32    89     1.09260   108.80804   -64.44575
  100    97 S   CT   _C25    90     1.52590   111.68484   176.18689
  101   100 S   HC   _H33    91     1.09607   109.74238  -175.87479
  102   100 S   HC   _H34    92     1.09529   109.63474    67.12224
  103   100 S   CT   _C26    93     1.52603   111.64671   -54.37391
  104   103 S   HC   _H35    94     1.09711   109.46948   175.94117
  105   103 S   HC   _H36    95     1.09565   109.58768   -67.08956
  106   103 S   CT   _C27    96     1.52598   111.59239    54.52691
  107   106 S   HC   _H37    97     1.09648   109.38800    66.85375
  108   106 S   HC   _H38    98     1.09648   109.51238  -176.48175
  109    95 S   CT   _C28    99     1.53019   109.93062  -148.48716
  110   109 S   HC   _H39   100     1.09327   108.94765    64.13141
  111   109 S   HC   _H40   101     1.09185   111.07992   -53.25767
  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
  16   8   2   1   1   9   5   4   6   2   8  12   6  11   5   8
   3   6   5   4  12   4   3   2   1   1  17  15   7   6  16   7
   4   1   6   5   4  11   6   5   6   3   2   1   1   8   5   4
   3   2   8   4   2   1   1   1   6   3   7   3  11   4  14   8
  12   6   5   9   5   4   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    46    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    50    51    52    55    48  
   38    39    40    41    44    46    47    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    50  
   40    41    42    43    46  
   41    42    43    46  
   42    43    44    45    46    48  
   43    44  
   44    45    46    47    50    48    49    53  
   45    46    47    50    51    52    55    48    49    53    54    59  
   46    47    50    48    49    53  
   47    50    51    52    55    56    57    58    48    49    53  
   50    51    52    55    48  
   49    53    54    59    60    63    65    50  
   53    54    59  
   51    52    55    56    57    58  
   52    55    56    57    58  
   55    56    57    58  
   54    59    60    61    62    67    63    64    70    73    65    66  
   59    60    63    65  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    67    68    69    74    63    64    70    71    72    78    73    80    65    66  
   61    62    67    68    69    74    75    76    77    63    64    70    73    65    66  
   62    67    68    69    74    63    65  
   67    68    69    74    63    65  
   64    70    71    72    78    79    83    85    73    80    81    82    87    65    66    67  
   70    71    72    78    73    80    65  
   66    67    70    73  
    0  
   68    69    74    75    76    77  
   69    74    75    76    77  
   74    75    76    77  
   71    72    78    79    83    84    89    85    86    73    80  
   72    78    79    83    85    73  
   78    79    83    85    73  
   80    81    82    87    88    78  
   75    76    77  
   76    77  
   77  
    0  
   79    83    84    89    90    91    85    86  
   83    84    89    85    86  
   81    82    87    88  
   82    87    88  
   87    88  
   84    89    90    91    92    93    85    86  
   89    90    91    85  
   86    89  
    0  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93    94    95    96    97   109  
   93    94    95  
   94    95    96    97    98    99   100   106   109   110   111  
   95    96    97   109  
   96    97    98    99   100   101   102   103   106   107   108   109   110   111  
   97    98    99   100   106   109   110   111  
   98    99   100   101   102   103   104   105   106   109   110   111  
   99   100   101   102   103   109  
  100   101   102   103   109  
  101   102   103   104   105   106   107   108   109  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109   110   111  
  108   109   110   111  
  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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.190000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   75   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   2.5000   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    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   317.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    54   340.000  1.080
   53    59   317.000  1.510
   59    60   268.000  1.529
   59    63   268.000  1.529
   59    65   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   367.000  1.471
   74    75   434.000  1.010
   74    76   434.000  1.010
   74    77   434.000  1.010
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    83   317.000  1.510
   78    85   320.000  1.410
   83    84   340.000  1.080
   83    89   549.000  1.340
   89    90   340.000  1.080
   89    91   380.000  1.444
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   317.000  1.510
   95    96   340.000  1.090
   95    97   268.000  1.529
   95   109   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  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
   85    86   553.000  0.945
   73    80   230.000  1.697
   80    81   525.000  1.480
   80    82   525.000  1.480
   80    87   230.000  1.697
   87    88   553.000  0.945
   65    66   553.000  0.945
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    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    46    44    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    85.00000  110.90400
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    49    35.00000  117.00000
   44    48    53    70.00000  124.00000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    55    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    70.00000  112.02700
   48    53    54    35.00000  120.00000
   48    53    59    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    59    60    70.00000  112.02700
   53    59    63    70.00000  112.02700
   53    59    65    90.00000  110.39200
   59    53    54    35.00000  117.00000
   59    60    61    37.50000  110.70000
   59    60    62    37.50000  110.70000
   59    60    67    58.35000  112.70000
   59    63    64    37.50000  110.70000
   59    63    70    58.35000  112.70000
   59    63    73    50.00000  109.50000
   59    65    66    55.00000  108.50000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    74    80.00000  111.20000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   76    74    75    35.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   63    59    60    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    78    58.35000  112.70000
   63    73    80   100.00000  120.50000
   70    63    64    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    83    70.00000  112.02700
   70    78    85    50.00000  109.50000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    83    84    35.00000  117.00000
   78    83    89    70.00000  124.00000
   78    85    86    55.00000  108.50000
   83    78    79    35.00000  109.50000
   83    89    90    35.00000  120.00000
   83    89    91    70.00000  123.01800
   89    83    84    35.00000  120.00000
   89    91    92    35.00000  120.00000
   89    91    93    70.00000  123.01800
   91    89    90    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    70.00000  124.00000
   93    91    92    35.00000  120.00000
   93    95    96    35.00000  109.50000
   93    95    97    70.00000  112.02700
   93    95   109    70.00000  112.02700
   95    93    94    35.00000  117.00000
   95    97    98    37.50000  110.70000
   95    97    99    37.50000  110.70000
   95    97   100    58.35000  112.70000
   95   109   106    58.35000  112.70000
   95   109   110    37.50000  110.70000
   95   109   111    37.50000  110.70000
   97    95    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   109   110    37.50000  110.70000
  106   109   111    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109    95    96    37.50000  110.70000
  109    95    97    58.35000  112.70000
  109   106   107    37.50000  110.70000
  109   106   108    37.50000  110.70000
  111   109   110    33.00000  107.80000
   85    78    79    35.00000  109.50000
   85    78    83    90.00000  110.39200
   73    63    64    35.00000  109.50000
   73    63    70    50.00000  109.50000
   73    80    81   100.00000  108.23000
   73    80    82   100.00000  108.23000
   73    80    87    45.00000  102.60000
   80    87    88    45.00000  108.50000
   82    80    81   140.00000  119.90000
   87    80    81   100.00000  108.23000
   87    80    82   100.00000  108.23000
   65    59    60    50.00000  109.50000
   65    59    63    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
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   85    78    83    84   0.00000  1.0 1.0
   85    78    83    89   0.67800  1.0 1.0
   85    78    83    89   0.47050 -1.0 2.0
   85    78    83    89  -0.62500  1.0 3.0
   73    63    70    71   0.23400  1.0 3.0
   73    63    70    72   0.23400  1.0 3.0
   73    63    70    78   0.62750  1.0 1.0
   73    63    70    78  -0.30950 -1.0 2.0
   73    63    70    78   0.27300  1.0 3.0
   73    80    87    88   0.00000  1.0 1.0
   81    80    87    88   0.00000  1.0 1.0
   82    80    87    88   0.00000  1.0 1.0
   65    59    60    61   0.23400  1.0 3.0
   65    59    60    62   0.23400  1.0 3.0
   65    59    60    67   0.86500  1.0 1.0
   65    59    60    67  -0.17500 -1.0 2.0
   65    59    60    67   0.20800  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    70   0.86500  1.0 1.0
   65    59    63    70  -0.17500 -1.0 2.0
   65    59    63    70   0.20800  1.0 3.0
   65    59    63    73   3.69350  1.0 1.0
   65    59    63    73  -1.82950 -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    43    41    42  10.50000 -1.0 2.0
   44    49    48    53  15.00000 -1.0 2.0
   59    54    53    48  15.00000 -1.0 2.0
   78    84    83    89  15.00000 -1.0 2.0
   91    90    89    83  15.00000 -1.0 2.0
   89    92    91    93  15.00000 -1.0 2.0
   95    94    93    91  15.00000 -1.0 2.0
END
