* LIGAND DATABASE FILE (OPLS2005)
*
001     109   113    197    320     592
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02090    89.37889   -70.13364
    3     1 S   H    _H1_     3     1.02064    91.16877    38.53609
    4     1 S   H    _H2_     4     1.02119    32.89235   162.56716
    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     1.08638   110.54412    58.84088
   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   _C8_    36     1.83423    98.13059   -78.12373
   34    33 S   HC   _H5_    37     1.03283   106.27101   -36.50691
   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   CM   _C9_    38     1.52251   110.13423  -160.01439
   39    33 S   OS   _O33    52     1.43486   108.21856    78.02394
   40    38 S   CM   _C10    39     1.35611   124.54360    68.03778
   41    40 S   OS   _O34    40     1.38536   122.91607  -174.20015
   42    40 S   OH   _O36   108     1.38431   122.24666     4.85103
   43    42 S   HO   _H19   109     0.96098   109.74135   179.97202
   44    41 S   CT   _C11    41     1.42982   114.46078    20.19247
   45    44 S   HC   _H14    42     1.09246   107.46194  -174.82343
   46    44 S   HC   _H15    43     1.09376   109.40650    68.45560
   47    44 S   CT   _C12    44     1.51867   109.91194   -55.13413
   48    47 S   HC   _H16    45     1.09607   109.61890  -176.46886
   49    47 S   HC   _H17    46     1.09662   107.72520   -59.25254
   50    38 S   CT   _C13    47     1.52156   114.47492  -113.77282
   51    50 S   CT   _C6_    48     1.56201   110.56962   -49.29210
   52    51 S   HC   _H3_    49     1.10241   107.62125   153.72302
   53    50 S   OH   _O35   106     1.44132   106.02920    67.11693
   54    53 S   HO   _H18   107     0.96608   105.78934  -179.96574
   55    51 S   CO   _C7_    50     1.54755   112.27955    35.89785
   56    55 S   HC   _H4_    51     1.06342   111.01338  -102.35256
   57    51 S   CM   _C5_   101     1.50384   114.47914   -87.63090
   58    57 S   HC   _H13   102     1.08613   117.14376    60.89583
   59    55 S   OS   _O37    53     1.42701   108.36861   139.33429
   60    57 S   CM   _C4_   103     1.33730   123.98469  -119.15679
   61    60 S   HC   _H11   104     1.08501   120.36495  -179.94405
   62    60 S   HC   _H12   105     1.08440   121.63172     0.07913
   63    59 S   CO   _C14    54     1.42030   111.38682  -179.80517
   64    63 S   HC   _H6_    55     1.09681   107.42387    60.06088
   65    63 S   CT   _C15    56     1.52862   107.80600   179.69545
   66    65 S   HC   _H7_    57     1.09733   110.72258    51.37963
   67    65 S   CT   _C16    58     1.52912   111.33683   173.96597
   68    67 S   HC   _H8_    59     1.09744   110.91459    74.75390
   69    65 S   OS   _O42    74     1.42754   109.48581   -66.32504
   70    67 S   CT   _C17    60     1.52903   111.17875   -48.60706
   71    70 S   HC   _H9_    61     1.09747   108.89878   -72.61064
   72    67 S   OH   _O41    72     1.42865   109.16831  -168.31791
   73    72 S   HO   _H24    73     0.96873   106.32142    61.36639
   74    69 S   CO4  _C20    75     1.35934   115.83147    90.00750
   75    74 S   O    _O43    76     1.22148   126.18033    -0.00000
   76    70 S   CT   _C18    62     1.52967   110.79205    49.56659
   77    76 S   HC   _H10    63     1.09787   110.52756    64.76559
   78    70 S   OH   _O40    70     1.42583   108.02070   170.64876
   79    78 S   HO   _H23    71     0.96914   106.53257   -60.01745
   80    74 S   CA   _C21    77     1.48486   110.54571  -179.96044
   81    63 S   OS   _O38    64     1.42587   109.84946   -59.87737
   82    76 S   CT   _C19    65     1.52589   112.23672  -175.06803
   83    82 S   HC   _H20    66     1.08967   109.96420    60.00010
   84    82 S   HC   _H21    67     1.09088   109.94645   -60.95512
   85    80 S   CA   _C22    78     1.39439   120.88282   -90.08132
   86    82 S   OH   _O39    68     1.41562   108.56337   179.52522
   87    86 S   HO   _H22    69     0.97292   107.06751   179.96574
   88    85 S   CA   _C23    79     1.39507   119.99132  -180.00000
   89    88 S   HA   _H25    80     1.08852   120.60406  -180.00000
   90    85 S   CA   _C27    89     1.44993   121.34414     0.03426
   91    88 S   CA   _C24    81     1.39485   119.98589     0.03956
   92    90 S   CA   _C28    90     1.39514   120.07565   -89.97666
   93    92 S   HA   _H29    91     1.08753   120.82321    -0.03426
   94    91 S   CA   _C25    82     1.39439   120.02278    -0.03956
   95    94 S   HA   _H26    83     1.08738   119.96959  -179.96044
   96    91 S   OH   _O45    87     1.36146   120.00435  -180.00000
   97    96 S   HO   _H28    88     0.97095   110.25672     0.00000
   98    92 S   CA   _C29    92     1.39425   120.04945  -179.98022
   99    98 S   HA   _H30    93     1.08511   120.05337   180.00000
  100    80 S   CA   _C26    84     1.39485   119.09437    89.97701
  101    98 S   CA   _C30    94     1.39496   119.98458    -0.07402
  102   101 S   HA   _H31    95     1.08681   119.71334  -179.98022
  103   100 S   OH   _O44    85     1.36319   121.08735    -0.02798
  104   103 S   HO   _H27    86     0.97055   110.13217     0.00000
  105   101 S   CA   _C31    96     1.39550   119.99501     0.04846
  106    90 S   CA   _C32    97     1.39496   119.95841    89.98166
  107   106 S   HA   _H32    98     1.08793   120.51002    -0.03426
  108   105 S   OH   _O46    99     1.36101   119.96443   179.98022
  109   108 S   HO   _H33   100     0.97038   110.25887  -179.97202
  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   7   5   4   3
  13   5   2   1   1  16   9  10   9   3   1   8   5   4   9   4
   3  10  12   7   3   1   9   3   5   3   8   2   1   1  13   6
  14   7  13   7   8  12   7   3   1   8   3   9   6   3   1  12
   4   4   3   2  14   1   1  10   4  11   6   8   4   6   3   2
   1   6   3   2   6   3   1   1   4   3   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    50    55    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    47    50    51    55    56    39    59    53    42  
   38    40    50    55    39  
   36    37  
   37  
    0  
   40    41    44    47    48    49    50    51    52    55    39    57    53    54    42    43  
   59    63    57    40    50    51    52    55    56  
   41    44    45    46    47    50    51    53    42    43  
   44    45    46    47    48    49    50    42    43  
   43    44    50  
    0  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    55    57    53    54  
   49    50    51    53  
   50    51    53  
   51    52    55    56    59    57    58    60    53    54  
   52    55    56    59    63    57    58    60    61    62    53    54  
   55    56    59    57    58    60    53  
   54    55    57  
    0  
   56    59    63    64    65    81    57    58    60  
   59    63    57  
   58    60    61    62    59  
   60    61    62  
   63    64    65    66    67    76    81    69  
   61    62  
   62  
    0  
   64    65    66    67    68    70    76    77    81    82    72    69    74  
   65    66    67    76    81    69  
   66    67    68    70    71    76    81    78    72    73    69    74    75    80  
   67    68    70    81    72    69    74  
   68    70    71    76    77    81    82    78    79    72    73    69    74  
   70    71    76    78    72    73    69  
   74    75    80    85   100    70    72    81  
   71    76    77    81    82    83    84    86    78    79    72    73  
   76    77    81    82    78    79    72  
   73    76    78  
    0  
   75    80    85    88    94   100   103    90  
   80    85   100  
   77    81    82    83    84    86    87    78    79  
   81    82    83    84    86    78  
   79    81    82  
    0  
   85    88    89    91    94    95   100   103   104    90    92   106  
   82    83    84    86  
   83    84    86    87  
   84    86    87  
   86    87  
   88    89    91    94   100   103    96    90    92    93    98   105   106   107  
   87  
    0  
   89    91    94    95   100    96    97    90    92   106  
   91    94    96    90  
   92    93    98    99   101   105   106   107   108    91   100  
   94    95   100   103    96    97  
   93    98    99   101   102   105   106   107  
   98    99   101   106  
   95   100   103   104    96    97  
  100   103    96  
   97   100  
    0  
   99   101   102   105   106   108  
  101   102   105  
  103   104  
  102   105   106   107   108   109  
  105   106   108  
  104  
    0  
  106   107   108   109  
  107   108   109  
  108  
  109  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   91   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  103   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  107   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  108   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   320.000  1.410
   38    40   549.000  1.340
   38    50   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   320.000  1.410
   51    52   340.000  1.090
   51    55   250.000  1.527
   51    57   317.000  1.510
   55    56   340.000  1.090
   55    39   320.000  1.380
   55    59   320.000  1.380
   59    63   320.000  1.380
   63    64   340.000  1.090
   63    65   250.000  1.527
   63    81   320.000  1.380
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   320.000  1.410
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    72   320.000  1.410
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    78   320.000  1.410
   76    77   340.000  1.090
   76    81   320.000  1.410
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    86   320.000  1.410
   86    87   553.000  0.945
   78    79   553.000  0.945
   72    73   553.000  0.945
   69    74   214.000  1.327
   74    75   570.000  1.229
   74    80   310.000  1.470
   80    85   469.000  1.400
   80   100   469.000  1.400
   85    88   469.000  1.400
   85    90   375.000  1.464
   88    89   367.000  1.080
   88    91   469.000  1.400
   91    94   469.000  1.400
   91    96   450.000  1.364
   94    95   367.000  1.080
   94   100   469.000  1.400
  100   103   450.000  1.364
  103   104   553.000  0.945
   96    97   553.000  0.945
   90    92   469.000  1.400
   90   106   469.000  1.400
   92    93   367.000  1.080
   92    98   469.000  1.400
   98    99   367.000  1.080
   98   101   469.000  1.400
  101   102   367.000  1.080
  101   105   469.000  1.400
  105   106   469.000  1.400
  105   108   450.000  1.364
  106   107   367.000  1.080
  108   109   553.000  0.945
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
   53    54   553.000  0.945
   42    43   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    50    65.00000  117.92700
   33    39    55    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    80.00000  120.01400
   38    40    42    80.00000  121.38400
   38    50    47    70.00000  112.02700
   38    50    51    70.00000  112.02700
   38    50    53    90.00000  110.39200
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    38    40    70.00000  124.00000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    55    75.00000  109.43000
   50    51    57    70.00000  112.02700
   50    53    54    55.00000  108.50000
   51    55    56    45.00000  112.01100
   51    55    39    90.00000  108.56700
   51    55    59    90.00000  108.56700
   51    57    58    35.00000  117.00000
   51    57    60    70.00000  124.00000
   55    51    52    45.00000  108.72000
   55    59    63   100.00000  109.58800
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    55    56    35.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    39    92.60000  111.55000
   59    63    64    35.00000  109.50000
   59    63    65    90.00000  108.56700
   59    63    81    92.60000  111.55000
   63    65    66    45.00000  108.72000
   63    65    67    75.00000  109.43000
   63    65    69    90.00000  109.38000
   63    81    76    60.00000  109.50000
   65    63    64    45.00000  112.01100
   65    67    68    37.50000  110.70000
   65    67    70    58.35000  112.70000
   65    67    72    50.00000  109.50000
   65    69    74    83.00000  116.90000
   67    65    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    76    58.35000  112.70000
   67    70    78    50.00000  109.50000
   67    72    73    55.00000  108.50000
   70    67    68    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    81    50.00000  109.50000
   70    76    82    58.35000  112.70000
   70    78    79    55.00000  108.50000
   76    70    71    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    86    50.00000  109.50000
   81    63    64    35.00000  109.50000
   81    63    65    90.00000  108.56700
   81    76    77    35.00000  109.50000
   82    76    77    37.50000  110.70000
   82    76    81    50.00000  109.50000
   82    86    87    55.00000  108.50000
   84    82    83    33.00000  107.80000
   86    82    83    35.00000  109.50000
   86    82    84    35.00000  109.50000
   78    70    71    35.00000  109.50000
   78    70    76    50.00000  109.50000
   72    67    68    35.00000  109.50000
   72    67    70    50.00000  109.50000
   69    65    66    35.00000  109.50000
   69    65    67    50.00000  109.50000
   69    74    75    83.00000  123.40000
   69    74    80    81.00000  111.40000
   74    80    85    60.00000  119.52600
   74    80   100    60.00000  119.52600
   80    74    75    75.00000  123.78400
   80    85    88    63.00000  120.00000
   80    85    90    60.00000  122.76000
   80   100    94    63.00000  120.00000
   80   100   103    70.00000  120.00000
   85    88    89    35.00000  120.00000
   85    88    91    63.00000  120.00000
   85    90    92    60.00000  122.76000
   85    90   106    60.00000  122.76000
   88    91    94    63.00000  120.00000
   88    91    96    70.00000  120.00000
   91    88    89    35.00000  120.00000
   91    94    95    35.00000  120.00000
   91    94   100    63.00000  120.00000
   91    96    97    35.00000  113.00000
   94   100   103    70.00000  120.00000
  100    80    85    63.00000  120.00000
  100    94    95    35.00000  120.00000
  100   103   104    35.00000  113.00000
   96    91    94    70.00000  120.00000
   90    85    88    60.00000  122.76000
   90    92    93    35.00000  120.00000
   90    92    98    63.00000  120.00000
   90   106   105    63.00000  120.00000
   90   106   107    35.00000  120.00000
   92    98    99    35.00000  120.00000
   92    98   101    63.00000  120.00000
   98    92    93    35.00000  120.00000
   98   101   102    35.00000  120.00000
   98   101   105    63.00000  120.00000
  101    98    99    35.00000  120.00000
  101   105   106    63.00000  120.00000
  101   105   108    70.00000  120.00000
  105   101   102    35.00000  120.00000
  105   106   107    35.00000  120.00000
  105   108   109    35.00000  113.00000
  106    90    92    63.00000  120.00000
  108   105   106    70.00000  120.00000
   57    51    52    35.00000  109.50000
   57    51    55    70.00000  112.02700
   57    60    61    35.00000  120.00000
   57    60    62    35.00000  120.00000
   60    57    58    35.00000  120.00000
   62    60    61    35.00000  117.00000
   53    50    51    50.00000  109.50000
   42    40    41   115.00000  116.36000
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
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
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  102   101   105   108   3.62500 -1.0 2.0
  106    90    92    93   3.62500 -1.0 2.0
  106    90   -92    98   3.62500 -1.0 2.0
  106   105   108   109   0.84100 -1.0 2.0
  108   105   106    90   3.62500 -1.0 2.0
  108   105   106   107   3.62500 -1.0 2.0
   57    51    55    56   0.15000  1.0 3.0
   57    51    55    39   0.61850  1.0 1.0
   57    51    55    39  -0.22750 -1.0 2.0
   57    51    55    39   0.15300  1.0 3.0
   57    51    55    59   0.61850  1.0 1.0
   57    51    55    59  -0.22750 -1.0 2.0
   57    51    55    59   0.15300  1.0 3.0
   58    57    60    61   7.00000 -1.0 2.0
   58    57    60    62   7.00000 -1.0 2.0
   53    50    51    52   0.23400  1.0 3.0
   53    50    51    55   0.86500  1.0 1.0
   53    50    51    55  -0.17500 -1.0 2.0
   53    50    51    55   0.20800  1.0 3.0
   53    50    51    57   1.05650  1.0 1.0
   53    50    51    57   0.15600 -1.0 2.0
   53    50    51    57   0.53150  1.0 3.0
   42    40    41    44   2.00000 -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
   33    50    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   69    80    74    75  10.50000 -1.0 2.0
   85   100    80    74   4.00000 -1.0 2.0
   88    90    85    80   4.00000 -1.0 2.0
   91    89    88    85   1.10000 -1.0 2.0
   94    96    91    88   4.00000 -1.0 2.0
  100    95    94    91   1.10000 -1.0 2.0
   94   103   100    80   4.00000 -1.0 2.0
   92   106    90    85   4.00000 -1.0 2.0
   98    93    92    90   1.10000 -1.0 2.0
  101    99    98    92   1.10000 -1.0 2.0
  105   102   101    98   1.10000 -1.0 2.0
  106   108   105   101   4.00000 -1.0 2.0
  105   107   106    90   1.10000 -1.0 2.0
   51    58    57    60  15.00000 -1.0 2.0
   61    62    60    57  15.00000 -1.0 2.0
END
