* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    206    343     624
    1     0 S   NP   _N1_     1    29.77113    94.80487   -18.94707
    2     1 S   H    _HN1     2     1.02992   120.86259    81.39009
    3     1 S   H    _H1_     3     1.02827    20.28315   131.48847
    4     1 S   H    _H2_     4     1.02778    88.88040   -29.35012
    5     1 S   CT   _CA1     5     1.50316   113.96166  -143.43790
    6     5 S   HC   _HA1     6     1.09573   105.07573    38.33057
    7     5 S   CO3  _C1_     7     1.53943   112.77763   -81.10022
    8     7 S   O2Z  _O11     8     1.26380   115.18017   -26.57693
    9     7 S   O2Z  _O12     9     1.26235   115.22335   152.85975
   10     5 S   CT   _CB1    10     1.53137   107.07347   156.06978
   11    10 S   HC   HB11    11     1.09857   109.38902   -48.72352
   12    10 S   HC   HB12    12     1.09706   110.06047    67.25048
   13    10 S   CT   _CG1    13     1.52996   113.34746  -169.91178
   14    13 S   HC   HG11    14     1.09539   111.23000   -68.74288
   15    13 S   HC   HG12    15     1.09598   110.70843    50.68915
   16    13 S   C    _CD1    16     1.51470   110.45806   170.29445
   17    16 S   O    _OE1    17     1.22836   121.77730  -100.57814
   18    16 S   N    _N2_    18     1.38240   112.89795    78.14186
   19    18 S   H    _HN2    19     1.01410   119.29825     5.21992
   20    18 S   CT1  _CA2    20     1.45699   123.05141  -178.56373
   21    20 S   HC   _HA2    21     1.09713   108.80144    25.40117
   22    20 S   C    _C2_    22     1.52844   107.37920   -92.38370
   23    22 S   O    _O2_    23     1.22949   122.78299   -29.77090
   24    20 S   CT   _CB2    32     1.53325   112.14008   148.39572
   25    24 S   HC   HB21    33     1.09285   109.68558    59.64724
   26    24 S   HC   HB22    34     1.09452   109.52153   177.56538
   27    22 S   N    _N3_    24     1.38584   112.30959   153.57204
   28    27 S   H    _HN3    25     1.01514   119.67257    -0.30326
   29    24 S   S    _SG2    35     1.82986   110.84267   -62.42700
   30    27 S   CT   _CA3    26     1.45467   123.22638   174.53137
   31    30 S   HC   HA31    27     1.09506   109.42304    22.11418
   32    30 S   HC   HA32    28     1.09487   107.16080   139.35601
   33    29 S   CT   _C20    36     1.88414   102.22424   159.58924
   34    33 S   OM   _O36    37     1.32209   105.52390  -176.55713
   35    30 S   CO3  _C3_    29     1.52979   112.80206  -101.27327
   36    35 S   O2Z  _O31    30     1.26440   115.42224   -42.57045
   37    35 S   O2Z  _O32    31     1.26342   115.01673   138.01441
   38    33 S   CM   _C21    38     1.53359   111.59790   -61.08371
   39    38 S   CMA  _C22    39     1.36662   124.74279   149.24842
   40    39 S   OM   _O34    40     1.26746   129.59875   175.32991
   41    38 S   C    _C23    87     1.51745   118.52814   -35.03088
   42    41 S   O    _O35    88     1.22765   121.95370   -51.09508
   43    39 S   CT   _C15    41     1.56460   117.68606    -2.18463
   44    41 S   N    _N4_    89     1.38482   113.20908   127.20328
   45    44 S   H    _H14    90     1.01608   118.34691     2.72584
   46    43 S   CM   _C14    42     1.54355   115.32665  -161.00535
   47    43 S   CT   _C16    63     1.54942   111.83226   -36.90891
   48    47 S   HC   _H3_    64     1.09743   109.22123   171.72559
   49    43 S   OH   _O37    85     1.43691   107.41791    80.81880
   50    49 S   HO   _H33    86     0.97377   106.26876    54.53645
   51    44 S   CT   _C24    91     1.43836   123.30726   176.74538
   52    51 S   HC   _H15    92     1.09415   107.75552   144.07740
   53    51 S   HC   _H16    93     1.09100   111.99675    22.19114
   54    46 S   CM   _C13    43     1.35170   123.30587    99.32974
   55    33 S   CT   _C19    65     1.57584   107.94414    64.40994
   56    55 S   HC   _H5_    66     1.09308   106.65430   -19.09949
   57    46 S   OH   _O38    83     1.38975   113.29751   -82.70076
   58    57 S   HO   _H34    84     0.97238   108.83812  -179.24931
   59    51 S   NP   _N5_    94     1.49402   109.79191   -98.87981
   60    59 S   H    _H17    95     1.02863   106.11468   -44.17071
   61    54 S   CO4  _C12    44     1.49388   120.55886   178.54720
   62    61 S   O    _O33    45     1.22706   121.60670   -16.62555
   63    55 S   NP   _N6_    67     1.55304   112.94762    90.77846
   64    63 S   H    _H26    68     1.03011   103.18488   -25.35889
   65    59 S   CT   _C25    96     1.50774   113.78465  -161.95405
   66    65 S   HC   _H18    97     1.09319   108.66000    80.33497
   67    65 S   HC   _H19    98     1.09519   108.10075   -40.17550
   68    61 S   CA   _C11    46     1.48892   118.22348   163.76217
   69    63 S   CT   _C29    69     1.50602   118.01877    89.43571
   70    69 S   HC   _H27    70     1.09156   109.54970    69.40359
   71    69 S   HC   _H28    71     1.09427   107.52135  -171.39803
   72    69 S   HC   _H29    72     1.08913   109.61011   -53.62143
   73    63 S   CT   _C30    73     1.50637   112.46492  -139.51329
   74    73 S   HC   _H30    74     1.09278   108.55522   -64.84494
   75    73 S   HC   _H31    75     1.09325   108.33209    56.05246
   76    73 S   HC   _H32    76     1.09331   108.26354   174.59039
   77    65 S   CT   _C26    99     1.51216   102.81485  -158.73950
   78    77 S   HC   _H20   100     1.09646   110.51922   -76.35840
   79    77 S   HC   _H21   101     1.09348   112.42854   162.50829
   80    68 S   CA   _C6_    47     1.41231   120.42324    -8.72546
   81    77 S   CT   _C27   102     1.51540   102.66443    41.34212
   82    81 S   HC   _H22   103     1.09654   109.99091    80.28130
   83    81 S   HC   _H23   104     1.09395   112.51374  -159.89019
   84    80 S   CA   _C7_    48     1.41003   117.97092  -177.02093
   85    84 S   HA   _H9_    49     1.08606   121.41797   178.17866
   86    80 S   CT   _C5_    57     1.52938   120.90182     1.14893
   87    59 S   CT   _C28   105     1.51848   115.58530    73.62766
   88    87 S   HC   _H24   106     1.09300   109.98573    14.16909
   89    87 S   HC   _H25   107     1.09394   106.87414  -105.82487
   90    84 S   CA   _C8_    50     1.39532   121.67473    -1.61822
   91    90 S   HA   _H10    51     1.08635   119.95953  -179.59314
   92    54 S   CT   _C18    58     1.50884   123.75850     0.45970
   93    92 S   HC   _H4_    59     1.10176   106.03206   111.31328
   94    86 S   CT   _C4_    77     1.54197   113.41587   154.46280
   95    94 S   HC   _H6_    78     1.09460   111.56195   178.72958
   96    94 S   HC   _H7_    79     1.09540   111.89700    62.83019
   97    94 S   HC   _H8_    80     1.09499   111.76342   -59.42140
   98    86 S   OH   _O40    81     1.43429   107.94374   -87.75783
   99    98 S   HO   _H36    82     0.97253   108.12615   -51.98622
  100    90 S   CA   _C9_    52     1.38653   119.95063     0.56717
  101   100 S   HA   _H11    53     1.08654   119.82451  -180.00000
  102    92 S   CT   _C17    60     1.54242   112.53676    -4.31125
  103   102 S   HC   _H12    61     1.09784   107.99294   155.74142
  104   102 S   HC   _H13    62     1.09585   110.48528   -88.17339
  105    68 S   CA   _C10    54     1.40992   119.87316   172.69935
  106   105 S   OH   _O39    55     1.37050   123.76310    -1.95064
  107   106 S   HO   _H35    56     0.97339   108.97767     2.11331
  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   9   5   4   3
  17   7   2   1   1  14  14   5   9   3  16   8   4  15  17   8
   5   1  12   5   4  15  15   5   3   1  13   8  11   4  10   8
  11   6   5  13   7   3   2   1   3   2   1   1   8   5   4  17
   5   4   3  10   4  13   2   1   1   5   3  10   5   6   3   2
   1   2   1   4   2   2   1   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    56    63    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43   102    47    48    55    56    63    64    69    73    41    42    44  
   38    39    47    55    56    63    41  
   36    37  
   37  
    0  
   39    40    43    46    47    55    56    63    49    41    42    44    45    51  
   40    43    46    54   102    47    48    55    57    49    50    41    42    44  
   43    46    47    49    41  
   42    44    45    51    52    53    59    43    55  
   44    45    51  
   46    54    61    92   102   103   104    47    48    55    56    63    57    58    49    50  
   45    51    52    53    59    60    65    87  
   51    52    53    59  
   54    61    62    68    86    92    93   102    47    48    55    57    58    49    50  
   48    55    56    63    64    69    73    57    49    50    54    86    92    93   102   103   104  
   55    56    63    49    92   102   103   104  
   50    54    55    57   102  
    0  
   52    53    59    60    65    66    67    77    81    87    88    89  
   53    59    60    65    87  
   59    60    65    87  
   61    62    68    80   105    86    92    93   102   103   104    94    98    57    58  
   56    63    64    69    70    71    72    73    74    75    76    92   102   103   104  
   63    64    69    73   102  
   58    61    92  
    0  
   60    65    66    67    77    78    79    81    82    83    87    88    89  
   65    66    67    77    81    87    88    89  
   62    68    80    84   100   105   106    86    92    93   102  
   68    80   105    92  
   64    69    70    71    72    73    74    75    76   102  
   69    70    71    72    73    74    75    76  
   66    67    77    78    79    81    82    83    87    88    89  
   67    77    78    79    81    87  
   77    78    79    81    87  
   80    84    85    90   100   101   105   106   107    86    92    94    98  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    81    82    83    87    88    89  
   79    81    82    83    87  
   81    82    83    87  
   84    85    90    91   100   105   106    86    92    93   102    94    95    96    97    98    99  
   82    83    87    88    89  
   83    87    88    89  
   87    88    89  
   85    90    91   100   101   105    86    92    94    98  
   90    91   100    86  
   92    93   102   103   104    94    95    96    97    98    99    90   105  
   88    89  
   89  
    0  
   91   100   101   105   106  
  100   101   105  
   93   102   103   104    94    95    96    97    98    99  
  102   103   104    94    98  
   95    96    97    98    99   102  
   96    97    98  
   97    98  
   98  
   99   102  
    0  
  101   105   106   107  
  105   106  
  103   104  
  104  
    0  
  106   107  
  107  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.272500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   59   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.150000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  107   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   570.000  1.307
   33    38   317.000  1.510
   33    55   268.000  1.529
   38    39   465.000  1.376
   38    41   410.000  1.444
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    46   317.000  1.510
   43    47   268.000  1.529
   43    49   320.000  1.410
   46    54   549.000  1.340
   46    57   510.000  1.338
   54    61   320.000  1.462
   54    92   317.000  1.510
   61    62   570.000  1.229
   61    68   310.000  1.470
   68    80   469.000  1.400
   68   105   469.000  1.400
   80    84   469.000  1.400
   80    86   317.000  1.510
   84    85   367.000  1.080
   84    90   469.000  1.400
   90    91   367.000  1.080
   90   100   469.000  1.400
  100   101   367.000  1.080
  100   105   469.000  1.400
  105   106   450.000  1.364
  106   107   553.000  0.945
   86    92   268.000  1.529
   86    94   268.000  1.529
   86    98   320.000  1.410
   92    93   340.000  1.090
   92   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102    47   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    63   367.000  1.471
   63    64   434.000  1.010
   63    69   367.000  1.471
   63    73   367.000  1.471
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   553.000  0.945
   57    58   553.000  0.945
   49    50   553.000  0.945
   41    42   570.000  1.229
   41    44   490.000  1.335
   44    45   434.000  1.010
   44    51   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   367.000  1.471
   59    60   434.000  1.010
   59    65   367.000  1.471
   59    87   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  119.70000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    63    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    80.00000  125.30000
   38    41    44    80.00000  111.56200
   39    43    46    70.00000  110.12100
   39    43    47    70.00000  112.02700
   39    43    49    90.00000  110.39200
   43    39    40    85.00000  112.85300
   43    46    54    70.00000  124.00000
   43    46    57    90.00000  109.34000
   43    47   102    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    55    58.35000  112.70000
   43    49    50    55.00000  108.50000
   46    54    61    65.00000  118.96000
   46    54    92    70.00000  124.00000
   46    57    58    70.00000  107.45700
   54    61    62    80.00000  123.72100
   54    61    68    65.00000  117.02400
   54    92    86    70.00000  112.02700
   54    92    93    35.00000  109.50000
   54    92   102    70.00000  112.02700
   61    68    80    60.00000  119.52600
   61    68   105    60.00000  119.52600
   68    61    62    75.00000  123.78400
   68    80    84    63.00000  120.00000
   68    80    86    70.00000  120.00000
   68   105   100    63.00000  120.00000
   68   105   106    70.00000  120.00000
   80    84    85    35.00000  120.00000
   80    84    90    63.00000  120.00000
   80    86    92    70.00000  112.17500
   80    86    94    70.00000  112.17500
   80    86    98    90.00000  112.51600
   84    90    91    35.00000  120.00000
   84    90   100    63.00000  120.00000
   90    84    85    35.00000  120.00000
   90   100   101    35.00000  120.00000
   90   100   105    63.00000  120.00000
  100    90    91    35.00000  120.00000
  100   105   106    70.00000  120.00000
  105    68    80    63.00000  120.00000
  105   100   101    35.00000  120.00000
  105   106   107    35.00000  113.00000
   86    80    84    70.00000  120.00000
   86    92    93    37.50000  110.70000
   86    92   102    58.35000  112.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    37.50000  110.70000
   86    98    99    55.00000  108.50000
   92    54    61    65.00000  116.34900
   92   102   103    37.50000  110.70000
   92   102   104    37.50000  110.70000
   92   102    47    58.35000  112.70000
  102    92    93    37.50000  110.70000
  102    47    48    37.50000  110.70000
  102    47    55    58.35000  112.70000
  104   102   103    33.00000  107.80000
   47    43    46    70.00000  112.02700
   47   102   103    37.50000  110.70000
   47   102   104    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    63    80.00000  111.20000
   55    33    34    50.00000  109.50000
   55    33    38    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    63    64    35.00000  109.50000
   55    63    69    75.00000  113.01200
   55    63    73    75.00000  113.01200
   63    55    56    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    35.00000  109.50000
   63    73    74    35.00000  109.50000
   63    73    75    35.00000  109.50000
   63    73    76    35.00000  109.50000
   69    63    64    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    63    64    35.00000  109.50000
   73    63    69    75.00000  113.01200
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   94    86    92    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    86    92    50.00000  109.50000
   98    86    94    50.00000  109.50000
   57    46    54    80.00000  121.38400
   49    43    46    90.00000  110.39200
   49    43    47    50.00000  109.50000
   41    38    39    60.00000  120.04000
   41    44    45    35.00000  119.80000
   41    44    51    50.00000  121.90000
   44    41    42    80.00000  122.90000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    59    80.00000  116.76000
   51    44    45    38.00000  118.40000
   51    59    60    35.00000  109.50000
   51    59    65    75.00000  113.01200
   51    59    87    75.00000  113.01200
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    77    80.00000  111.20000
   59    87    81    80.00000  111.20000
   59    87    88    35.00000  109.50000
   59    87    89    35.00000  109.50000
   65    59    60    35.00000  109.50000
   65    77    78    37.50000  110.70000
   65    77    79    37.50000  110.70000
   65    77    81    58.35000  112.70000
   67    65    66    33.00000  107.80000
   77    65    66    37.50000  110.70000
   77    65    67    37.50000  110.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    87    58.35000  112.70000
   79    77    78    33.00000  107.80000
   81    77    78    37.50000  110.70000
   81    77    79    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   83    81    82    33.00000  107.80000
   87    59    60    35.00000  109.50000
   87    59    65    75.00000  113.01200
   87    81    82    37.50000  110.70000
   87    81    83    37.50000  110.70000
   89    87    88    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   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
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   51    59    87    89   0.15000  1.0 3.0
   52    51    59    60   0.13050  1.0 3.0
   52    51    59    65   0.15000  1.0 3.0
   52    51    59    87   0.15000  1.0 3.0
   53    51    59    60   0.13050  1.0 3.0
   53    51    59    65   0.15000  1.0 3.0
   53    51    59    87   0.15000  1.0 3.0
   59    65    77    78   0.19200  1.0 3.0
   59    65    77    79   0.19200  1.0 3.0
   59    65   -77    81   1.36600  1.0 1.0
   59    65   -77    81  -0.11450 -1.0 2.0
   59    65   -77    81   0.24250  1.0 3.0
   60    59    65    66   0.13050  1.0 3.0
   60    59    65    67   0.13050  1.0 3.0
   60    59    65    77   0.17350  1.0 3.0
   60    59    87    81   0.17350  1.0 3.0
   60    59    87    88   0.13050  1.0 3.0
   60    59    87    89   0.13050  1.0 3.0
   65    59   -87    81   0.47100  1.0 1.0
   65    59    87    88   0.15000  1.0 3.0
   65    59    87    89   0.15000  1.0 3.0
   65    77    81    82   0.15000  1.0 3.0
   65    77    81    83   0.15000  1.0 3.0
   65    77   -81    87   0.56750  1.0 1.0
   65    77   -81    87  -0.07550 -1.0 2.0
   65    77   -81    87   0.20000  1.0 3.0
   66    65    77    78   0.15000  1.0 3.0
   66    65    77    79   0.15000  1.0 3.0
   66    65    77    81   0.15000  1.0 3.0
   67    65    77    78   0.15000  1.0 3.0
   67    65    77    79   0.15000  1.0 3.0
   67    65    77    81   0.15000  1.0 3.0
   77    81   -87    59   1.36600  1.0 1.0
   77    81   -87    59  -0.11450 -1.0 2.0
   77    81   -87    59   0.24250  1.0 3.0
   77    81    87    88   0.15000  1.0 3.0
   77    81    87    89   0.15000  1.0 3.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    83   0.15000  1.0 3.0
   78    77    81    87   0.15000  1.0 3.0
   79    77    81    82   0.15000  1.0 3.0
   79    77    81    83   0.15000  1.0 3.0
   79    77    81    87   0.15000  1.0 3.0
   82    81    87    59   0.19200  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   83    81    87    59   0.19200  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   87    59    65    66   0.15000  1.0 3.0
   87    59    65    67   0.15000  1.0 3.0
   87    59   -65    77   0.47100  1.0 1.0
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    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    57    46    54   1.10000 -1.0 2.0
   61    92    54    46   1.10000 -1.0 2.0
   54    68    61    62  10.50000 -1.0 2.0
   80   105    68    61   4.00000 -1.0 2.0
   84    86    80    68   4.00000 -1.0 2.0
   90    85    84    80   1.10000 -1.0 2.0
  100    91    90    84   1.10000 -1.0 2.0
  105   101   100    90   1.10000 -1.0 2.0
  100   106   105    68   4.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
   45    41    44    51   1.00000 -1.0 2.0
END
