* LIGAND DATABASE FILE (OPLS2005)
*
001     104   106    201    308     600
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02149    61.76593  -107.80104
    3     1 S   H    _H1_     3     1.02090   106.21090    -4.92963
    4     1 S   H    _H2_     4     1.02083    50.48693    96.23650
    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   _C11    36     1.82735    97.99096  -178.17222
   34    33 S   HC   _H9_    37     1.09846   105.93732    43.82351
   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   _C12    38     1.53539   112.65078   159.99764
   39    38 S   HC   _H10    39     1.09706   111.87916   -59.65788
   40    38 S   CT   _C13    40     1.53476   109.21486   178.27558
   41    40 S   HC   _H11    41     1.09801   107.47277    68.70455
   42    38 S   NP   _N5_   101     1.49246   110.97155    57.56765
   43    42 S   H    _H26   102     1.02179   110.47692  -178.09525
   44    42 S   H    _H27   103     1.02232   110.40295    61.88550
   45    42 S   H    _H28   104     1.02246   110.40840   -58.08267
   46    40 S   CT   _C14    42     1.53487   111.99406   -50.52378
   47    46 S   HC   _H12    43     1.09603   110.84178   -67.13393
   48    40 S   OH   _O36    99     1.42280   110.75443  -174.28224
   49    48 S   HO   _H25   100     0.97026   106.67278   -60.04904
   50    46 S   OS   _O34    44     1.43241   110.60167    54.46233
   51    46 S   CT   _C15    94     1.52669   111.54383   173.73809
   52    51 S   HC   _H22    95     1.09037   109.85190    60.00193
   53    51 S   HC   _H23    96     1.08857   109.91952   -60.90160
   54    33 S   CO   _C10    45     1.53899   111.78166   -72.48347
   55    54 S   HC   _H8_    46     1.09620   109.25594    60.62820
   56    51 S   OH   _O35    97     1.41547   108.52243   179.52770
   57    56 S   HO   _H24    98     0.97228   107.08654   180.00000
   58    54 S   OS   _O33    47     1.42439   111.91153   -58.25999
   59    58 S   CT   _C8_    48     1.42425   111.29656   179.95577
   60    59 S   HC   _H6_    49     1.13405   104.24707    29.98111
   61    59 S   CT   _C9_    50     1.53494   111.09743   147.51386
   62    61 S   HC   _H7_    51     1.11048   109.02731   -64.66004
   63    61 S   CT   _C4_    52     1.53466   112.30649   174.43739
   64    63 S   HC   _H17    53     1.12479   109.59841  -168.93338
   65    63 S   HC   _H18    54     1.12289   109.01122    79.01227
   66    61 S   NP   _N4_    90     1.48956   110.49719    50.87355
   67    66 S   H    _H19    91     1.02401   110.72294   124.78795
   68    66 S   H    _H20    92     1.02406   110.70807     4.80387
   69    66 S   H    _H21    93     1.02378   110.72549  -115.19240
   70    63 S   CT   _C5_    55     1.53557   115.81725   -44.33060
   71    70 S   HC   _H3_    56     1.10888   109.00440   165.36979
   72    70 S   CT   _C6_    57     1.53516   112.23200    44.33148
   73    72 S   HC   _H4_    58     1.13492   109.24236    70.97945
   74    70 S   NP   _N8_    86     1.48930   110.26587   -79.25572
   75    74 S   H    _H39    87     1.02446   110.74154  -118.27688
   76    74 S   H    _H40    88     1.02398   110.71754   121.73011
   77    74 S   H    _H41    89     1.02435   110.71872     1.68783
   78    59 S   CT   _C7_    59     1.53449   109.67713   -85.81642
   79    78 S   HC   _H5_    60     1.08413   109.18535    60.26251
   80    72 S   OS   _O38    63     1.42502   111.02715  -174.64771
   81    78 S   OH   _O37    61     1.42616   110.62743   -58.96607
   82    81 S   HO   _H29    62     0.96921   106.62119    58.69672
   83    80 S   CO   _C16    64     1.42569   111.26876  -147.51349
   84    83 S   HC   _H13    65     1.09698   108.13194   -29.95985
   85    83 S   CT   _C17    66     1.52774   108.46118  -151.08611
   86    85 S   HC   _H14    67     1.09644   110.71170   -52.04920
   87    85 S   CT   _C18    68     1.52322   111.32911  -175.18521
   88    87 S   HC   _H30    69     1.09712   110.89560   173.61322
   89    87 S   HC   _H31    70     1.09977   110.53126   -69.76918
   90    85 S   NP   _N7_    82     1.48687   109.39148    64.62860
   91    90 S   H    _H36    83     1.02486   110.76109   -38.19000
   92    90 S   H    _H37    84     1.02496   110.73530  -158.14665
   93    90 S   H    _H38    85     1.02410   110.79831    81.80509
   94    87 S   CT   _C19    71     1.52806   110.67863    51.38256
   95    94 S   HC   _H15    72     1.09870   108.76100    70.40101
   96    94 S   CO   _C20    73     1.53303   110.44251   -50.53380
   97    96 S   HC   _H16    74     1.09562   110.99563   -66.91987
   98    94 S   OH   _O40    80     1.42329   108.96966  -171.34145
   99    98 S   HO   _H35    81     0.97031   106.64828   -59.98925
  100    83 S   OS   _O39    75     1.42917   109.49563    89.35743
  101    96 S   NP   _N6_    76     1.49378   107.80083   179.13498
  102   101 S   H    _H32    77     1.02177   110.41341   -26.00470
  103   101 S   H    _H33    78     1.02139   110.38998  -146.04060
  104   101 S   H    _H34    79     1.02247   110.39666    93.99489
  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  16   9  15   7   6   2   1   1  12   7   3
   1   8   5   3   2   6   2   1   1  10  18   8  15   9  16   6
   5   5   2   1   1  12   8  14   6   5   2   1   1   5   3   9
   1   1  15   6  13   9  14   6   5   5   2   1   1  10   6   8
   6   3   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    54    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    50    54    55    58    59    48    42    43    44    45  
   38    39    40    50    54    55    58    42  
   36    37  
   37  
    0  
   39    40    41    46    47    50    54    55    58    51    48    49    42    43    44    45  
   40    41    46    54    48    42    43    44    45  
   41    46    47    50    54    51    52    53    56    48    49    42    43    44    45  
   46    47    50    51    48    49    42  
   43    44    45    46    48    54  
   44    45  
   45  
    0  
   47    50    54    55    58    51    52    53    56    57    48    49  
   50    54    51    52    53    56    48  
   49    50    51  
    0  
   54    55    58    59    51    52    53    56  
   52    53    56    57    54  
   53    56    57  
   56    57  
   55    58    59    60    61    78  
   58    59  
   57  
    0  
   59    60    61    62    63    72    78    79    81    66  
   60    61    62    63    64    65    70    72    73    78    79    81    82    80    66    67    68    69  
   61    62    63    72    78    79    81    66  
   62    63    64    65    70    71    72    78    79    81    74    66    67    68    69  
   63    64    65    70    78    66    67    68    69  
   64    65    70    71    72    73    78    80    74    75    76    77    66    67    68    69  
   65    70    71    72    74    66  
   70    71    72    74    66  
   67    68    69    70    78  
   68    69  
   69  
    0  
   71    72    73    78    79    81    80    83    74    75    76    77  
   72    73    78    80    74    75    76    77  
   73    78    79    81    82    80    83    84    85   100    74    75    76    77  
   78    79    81    80    83    74  
   75    76    77    78    80  
   76    77  
   77  
    0  
   79    81    82    80    83  
   81    82    80  
   83    84    85    86    87    96   100    90    81  
   82  
    0  
   84    85    86    87    88    89    94    96    97   100   101    90    91    92    93  
   85    86    87    96   100    90  
   86    87    88    89    94    95    96   100    98    90    91    92    93  
   87    88    89    94   100    90    91    92    93  
   88    89    94    95    96    97   100   101    98    99    90    91    92    93  
   89    94    95    96    98    90  
   94    95    96    98    90  
   91    92    93    94   100  
   92    93  
   93  
    0  
   95    96    97   100   101   102   103   104    98    99  
   96    97   100   101    98    99  
   97   100   101   102   103   104    98    99  
  100   101   102   103   104    98  
   99   100   101  
    0  
  101   102   103   104  
  102   103   104  
  103   104  
  104  
    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   1.6450   1.4500   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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   43   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660   0.025600   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.025600   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   74   3.2500   0.1700  -0.300000   2.1950   1.9500   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   1.6450   1.4500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   85   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   91   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   93   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  101   3.2500   0.1700  -0.112500   2.2900   2.0360   0.003973653   1.685851020
  102   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  103   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
  104   0.5000   0.0300   0.330000   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   268.000  1.529
   33    54   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   367.000  1.471
   40    41   340.000  1.090
   40    46   268.000  1.529
   40    48   320.000  1.410
   46    47   340.000  1.090
   46    50   320.000  1.410
   46    51   268.000  1.529
   50    54   320.000  1.380
   54    55   340.000  1.090
   54    58   320.000  1.380
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    78   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   367.000  1.471
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    81   320.000  1.410
   81    82   553.000  0.945
   80    83   320.000  1.380
   83    84   340.000  1.090
   83    85   250.000  1.527
   83   100   320.000  1.380
   85    86   340.000  1.090
   85    87   268.000  1.529
   85    90   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   250.000  1.527
   94    98   320.000  1.410
   96    97   340.000  1.090
   96   100   320.000  1.380
   96   101   215.000  1.578
  101   102   434.000  1.010
  101   103   434.000  1.010
  101   104   434.000  1.010
   98    99   553.000  0.945
   90    91   434.000  1.010
   90    92   434.000  1.010
   90    93   434.000  1.010
   74    75   434.000  1.010
   74    76   434.000  1.010
   74    77   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   66    69   434.000  1.010
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   320.000  1.410
   56    57   553.000  0.945
   48    49   553.000  0.945
   42    43   434.000  1.010
   42    44   434.000  1.010
   42    45   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    80.00000  111.20000
   33    54    50    90.00000  108.56700
   33    54    55    45.00000  112.01100
   33    54    58    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    46    58.35000  112.70000
   38    40    48    50.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   40    38    39    37.50000  110.70000
   40    46    47    37.50000  110.70000
   40    46    50    50.00000  109.50000
   40    46    51    58.35000  112.70000
   40    48    49    55.00000  108.50000
   46    40    41    37.50000  110.70000
   46    50    54    60.00000  109.50000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    54    55    35.00000  109.50000
   50    54    58    92.60000  111.55000
   54    33    34    45.00000  108.72000
   54    33    38    75.00000  109.43000
   54    58    59    60.00000  109.50000
   58    54    55    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    78    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    66    80.00000  111.20000
   59    78    72    58.35000  112.70000
   59    78    79    37.50000  110.70000
   59    78    81    50.00000  109.50000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    70    58.35000  112.70000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   63    61    62    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    58.35000  112.70000
   63    70    74    80.00000  111.20000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    78    58.35000  112.70000
   70    72    80    50.00000  109.50000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   72    70    71    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    81    50.00000  109.50000
   72    80    83    60.00000  109.50000
   78    59    60    37.50000  110.70000
   78    59    61    58.35000  112.70000
   78    72    73    37.50000  110.70000
   78    81    82    55.00000  108.50000
   81    78    79    35.00000  109.50000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   80    83    84    35.00000  109.50000
   80    83    85    90.00000  108.56700
   80    83   100    92.60000  111.55000
   83    85    86    45.00000  108.72000
   83    85    87    75.00000  109.43000
   83    85    90    80.00000  111.20000
   83   100    96   100.00000  109.58800
   85    83    84    45.00000  112.01100
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    94    58.35000  112.70000
   85    90    91    35.00000  109.50000
   85    90    92    35.00000  109.50000
   85    90    93    35.00000  109.50000
   87    85    86    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    75.00000  109.43000
   87    94    98    50.00000  109.50000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    96    97    45.00000  112.01100
   94    96   100    90.00000  108.56700
   94    96   101    85.00000   97.94000
   94    98    99    55.00000  108.50000
   96    94    95    45.00000  108.72000
   96   101   102    50.00000  110.51400
   96   101   103    50.00000  110.51400
   96   101   104    50.00000  110.51400
  100    83    84    35.00000  109.50000
  100    83    85    90.00000  108.56700
  100    96    97    35.00000  109.50000
  101    96    97    35.00000  109.50000
  101    96   100   105.00000  105.24000
  103   101   102    35.00000  109.50000
  104   101   102    35.00000  109.50000
  104   101   103    35.00000  109.50000
   98    94    95    35.00000  109.50000
   98    94    96    90.00000  111.58700
   90    85    86    35.00000  109.50000
   90    85    87    80.00000  111.20000
   92    90    91    35.00000  109.50000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   74    70    71    35.00000  109.50000
   74    70    72    80.00000  111.20000
   76    74    75    35.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   66    61    62    35.00000  109.50000
   66    61    63    80.00000  111.20000
   68    66    67    35.00000  109.50000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   51    46    47    37.50000  110.70000
   51    46    50    50.00000  109.50000
   51    56    57    55.00000  108.50000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   48    40    41    35.00000  109.50000
   48    40    46    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    80.00000  111.20000
   44    42    43    35.00000  109.50000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  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
   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
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
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   42    38    40    46   1.36600  1.0 1.0
   42    38    40    46  -0.11450 -1.0 2.0
   42    38    40    46   0.24250  1.0 3.0
   42    38    40    48   1.69300  1.0 1.0
   42    38    40    48  -0.48450 -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
END
