* LIGAND DATABASE FILE (OPLS2005)
*
001     111   112    207    310     611
    1     0 S   NP   _N1_     1    28.57594    94.44639   -19.19877
    2     1 S   H    _HN1     2     1.02832    34.16441   145.87112
    3     1 S   H    _H1_     3     1.02770    81.36471   -73.01779
    4     1 S   H    _H2_     4     1.02986    96.27818    34.64243
    5     1 S   CT   _CA1     5     1.50156   142.93615   171.17450
    6     5 S   HC   _HA1     6     1.09564   105.23329    44.57032
    7     5 S   CO3  _C1_     7     1.53817   112.36668   -75.65984
    8     7 S   O2Z  _O11     8     1.26368   115.02754   -41.04338
    9     7 S   O2Z  _O12     9     1.26244   114.91195   138.01441
   10     5 S   CT   _CB1    10     1.53032   107.37696   162.57623
   11    10 S   HC   HB11    11     1.09810   109.45383   -48.98978
   12    10 S   HC   HB12    12     1.09670   110.22809    67.66460
   13    10 S   CT   _CG1    13     1.52955   112.97608  -170.45956
   14    13 S   HC   HG11    14     1.09586   110.30756   -62.21407
   15    13 S   HC   HG12    15     1.09624   110.19030    57.08606
   16    13 S   C    _CD1    16     1.51876   112.04832   177.28113
   17    16 S   O    _OE1    17     1.22751   123.17059    -9.68730
   18    16 S   N    _N2_    18     1.38621   111.68708   170.86124
   19    18 S   H    _HN2    19     1.01580   119.01358     0.73860
   20    18 S   CT1  _CA2    20     1.46290   123.45639  -178.02434
   21    20 S   HC   _HA2    21     1.09756   109.30047   -15.06090
   22    20 S   C    _C2_    22     1.53403   108.29185  -130.63588
   23    22 S   O    _O2_    23     1.23007   122.34904  -145.62803
   24    20 S   CT   _CB2    32     1.53677   111.51776   106.98370
   25    24 S   HC   HB21    33     1.09498   109.27601    53.80188
   26    24 S   HC   HB22    34     1.09269   109.99517   172.53481
   27    22 S   N    _N3_    24     1.38541   113.29555    41.82648
   28    27 S   H    _HN3    25     1.01529   118.90017    -0.65760
   29    24 S   S    _SG2    35     1.82894   110.92550   -66.29796
   30    27 S   CT   _CA3    26     1.45436   123.37342   174.91161
   31    30 S   HC   HA31    27     1.09527   109.17060    26.08634
   32    30 S   HC   HA32    28     1.09494   107.15526   143.08296
   33    29 S   CT   _C14    36     1.87611   103.29240  -166.30194
   34    30 S   CO3  _C3_    29     1.52925   113.09314   -97.33123
   35    34 S   O2Z  _O31    30     1.26402   115.38813   -45.27833
   36    34 S   O2Z  _O32    31     1.26354   114.99675   135.64693
   37    33 S   CT   _C15    37     1.57033   112.69999    60.94185
   38    37 S   HC   _H19    38     1.09907   108.99790   -84.88540
   39    37 S   HC   _H20    39     1.09729   108.72437   161.91413
   40    33 S   CT   _C13    68     1.61924   106.95711  -172.99579
   41    40 S   OM   _O38    69     1.33136   108.38746   163.56314
   42    40 S   HC   _H4_    70     1.10081   105.91579    37.44588
   43    33 S   CT   _C30   108     1.56002   105.26741   -56.59427
   44    43 S   HC   _H41   109     1.09654   111.68797   -59.29185
   45    43 S   HC   _H42   110     1.09641   111.59107  -179.77794
   46    43 S   HC   _H43   111     1.09448   112.53485    62.65754
   47    37 S   CT   _C16    40     1.53872   118.20865    36.74043
   48    47 S   HC   _H21    41     1.08582   111.18964    43.36927
   49    47 S   HC   _H22    42     1.09347   109.14299   -74.46430
   50    47 S   CT   _C17    43     1.53483   112.20810   164.24347
   51    50 S   HC   _H23    44     1.09550   108.22201   -55.14749
   52    50 S   HC   _H24    45     1.09693   108.99796    60.67965
   53    50 S   CT   _C18    46     1.55010   113.02708  -176.39028
   54    53 S   HC   _H5_    47     1.09494   109.06669    51.35087
   55    53 S   CT   _C19    48     1.55284   112.53991   171.31081
   56    55 S   HC   _H6_    49     1.09745   109.17702   163.81996
   57    53 S   CT   _C29   104     1.53731   110.56895   -65.61846
   58    57 S   HC   _H38   105     1.09467   111.70061   -54.60058
   59    57 S   HC   _H39   106     1.09538   110.85259  -175.22287
   60    57 S   HC   _H40   107     1.09427   111.24623    66.19154
   61    55 S   CT   _C20    50     1.55340   114.14004   -75.07043
   62    61 S   HC   _H7_    51     1.09237   109.03469    50.54802
   63    55 S   OH   _O37   102     1.42998   109.50904    47.67830
   64    63 S   HO   _H37   103     0.97190   107.80510    62.17841
   65    61 S   CO4  _C21    52     1.53915   111.50999   -70.85022
   66    65 S   O    _O33    53     1.23568   119.67660   -40.56649
   67    61 S   CT   _C28    98     1.53528   110.30313   169.34292
   68    67 S   HC   _H34    99     1.09601   111.00516    54.45558
   69    67 S   HC   _H35   100     1.09485   111.19387   -65.99318
   70    67 S   HC   _H36   101     1.09243   112.10500   174.08905
   71    65 S   CT   _C22    54     1.55589   119.84924   138.68364
   72    71 S   CT   _C23    55     1.55883   108.84593   -80.65363
   73    72 S   HC   _H8_    56     1.09633   108.44110    49.40583
   74    71 S   CT   _C26    90     1.54594   108.86929   157.56078
   75    74 S   HC   _H28    91     1.09529   111.58240   179.56344
   76    74 S   HC   _H29    92     1.09495   112.40537    58.48164
   77    74 S   HC   _H30    93     1.09681   110.72436   -60.55518
   78    71 S   CT   _C27    94     1.54346   111.03887    41.15286
   79    78 S   HC   _H31    95     1.09629   111.54289   173.49241
   80    78 S   HC   _H32    96     1.09469   111.24548    54.66242
   81    78 S   HC   _H33    97     1.09424   112.18829   -66.40672
   82    72 S   CT   _C24    57     1.54038   115.03382   -73.34933
   83    82 S   HC   _H25    58     1.09532   110.63055    34.81112
   84    82 S   HC   _H26    59     1.09548   112.41730   -86.18424
   85    72 S   OH   _O36    88     1.43270   109.99925   164.42031
   86    85 S   HO   _H27    89     0.97187   108.35390    67.49935
   87    82 S   CO4  _C25    60     1.51094   111.52795   152.43041
   88    87 S   O    _O34    61     1.22466   123.08943  -122.61401
   89    87 S   OS   _O35    62     1.36138   110.66935    56.43196
   90    89 S   CT   _C11    63     1.45294   117.53049  -160.10645
   91    90 S   HC   _H3_    64     1.08988   108.83304    -1.19779
   92    90 S   CT   _C12    65     1.54571   105.15143   115.30814
   93    92 S   HC   _H17    66     1.09946   108.70603   -45.55721
   94    92 S   HC   _H18    67     1.10319   106.44151    64.04543
   95    90 S   CM   _C9_    71     1.52144   108.40328  -120.35073
   96    95 S   CM   _C8_    72     1.35032   119.12570   111.17310
   97    96 S   HC   _H13    73     1.08975   117.21518    -2.24158
   98    95 S   CT   _C10    84     1.50628   116.51330   -66.73087
   99    98 S   HC   _H14    85     1.09436   110.37024   -79.43393
  100    98 S   HC   _H15    86     1.09320   112.97631   159.06381
  101    98 S   HC   _H16    87     1.09528   110.59800    40.53909
  102    96 S   C5B  _C6_    74     1.42698   128.34915   178.24253
  103   102 S   C5A  _C7_    75     1.37966   123.63741   147.38107
  104   103 S   HA   _H12    76     1.08122   129.01041    -2.05766
  105   103 S   SA   _S1_    77     1.71436   109.57263   178.01712
  106   105 S   CRA  _C5_    78     1.72003    89.49306    -1.19190
  107   102 S   N5B  _N4_    79     1.37982   120.59173   -36.07547
  108   106 S   CT   _C4_    80     1.48658   119.98791  -178.92008
  109   108 S   HC   _H9_    81     1.09458   110.86303   -60.32854
  110   108 S   HC   _H10    82     1.09464   110.83042    60.58775
  111   108 S   HC   _H11    83     1.09476   110.45580  -179.88465
  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  13   5   4   3
  18   2   1   1  17   7   6  14   6   5   5   2   1   1   9   5
   4  12   5   4  13   8  16   7   5   2   1   1  13   8   3   1
  18   5   4   2   1   1  16  17   8   9   3   2   1   5   2   1
   1   8   5   4   2   1   6   2   8  12   6   5   2   1   9  11
   4   4   2   1   1   6   5   3   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    92    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    90    92    93    94    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    53    92    40    41    42    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    95    43    44    45    46    47    89    90    91    92    93    94  
   42    43    90    92    93    94  
   43    90    92    93    94  
   44    45    46    47    92  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    55    57  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    61    63    57    58    59    60  
   52    53    54    55    57  
   53    54    55    57  
   54    55    56    61    62    65    67    63    64    57    58    59    60  
   55    56    61    63    57    58    59    60  
   56    61    62    65    66    71    67    68    69    70    63    64    57    58    59    60  
   61    62    65    67    63    64    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    66    71    72    74    78    67    68    69    70    63    64  
   65    66    71    67    68    69    70    63  
   64    65    67  
    0  
   66    71    72    73    82    85    74    75    76    77    78    79    80    81    67    68    69    70  
   71    72    74    78    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    82    83    84    87    85    86    74    75    76    77    78    79    80    81  
   73    82    83    84    87    88    89    85    86    74    75    76    77    78    79    80    81  
   82    83    84    87    85    86    74    78  
   75    76    77    78    79    80    81    82    85  
   76    77    78  
   77    78  
   78  
   79    80    81    82    85  
   80    81  
   81  
    0  
   83    84    87    88    89    90    85    86  
   84    87    88    89    85  
   87    88    89    85  
   86    87  
    0  
   88    89    90    91    92    95  
   89    90  
   90    91    92    93    94    95    96    98  
   91    92    93    94    95    96    97   102    98    99   100   101  
   92    93    94    95    96    98  
   93    94    95    96    98  
   94    95  
   95  
   96    97   102   103   107    98    99   100   101  
   97   102   103   104   105   106   107    98    99   100   101  
  102   103   107    98  
   99   100   101   102  
  100   101  
  101  
    0  
  103   104   105   106   107   108  
  104   105   106   107   108  
  105   106   107  
  106   107   108   109   110   111  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
  103   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
  105   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
  106   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
  107   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
  108   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    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   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   320.000  1.410
   61    62   340.000  1.090
   61    65   317.000  1.522
   61    67   268.000  1.529
   65    66   570.000  1.229
   65    71   317.000  1.522
   71    72   268.000  1.529
   71    74   268.000  1.529
   71    78   268.000  1.529
   72    73   340.000  1.090
   72    82   268.000  1.529
   72    85   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   317.000  1.522
   87    88   570.000  1.229
   87    89   214.000  1.327
   89    90   320.000  1.410
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    95   317.000  1.510
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   95    96   549.000  1.340
   95    98   317.000  1.510
   96    97   340.000  1.080
   96   102   320.000  1.460
  102   103   520.000  1.370
  102   107   410.000  1.394
  103   104   367.000  1.080
  103   105   265.000  1.745
  105   106   250.000  1.765
  106   107   488.000  1.335
  106   108   295.000  1.488
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   85    86   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    92    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    58.35000  112.70000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    58.35000  112.70000
   50    53    57    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    61    58.35000  112.70000
   53    55    63    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    65    63.00000  111.10000
   55    61    67    58.35000  112.70000
   55    63    64    55.00000  108.50000
   61    55    56    37.50000  110.70000
   61    65    66    80.00000  120.40000
   61    65    71    70.00000  116.00000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    70    37.50000  110.70000
   65    61    62    35.00000  109.50000
   65    71    72    63.00000  111.10000
   65    71    74    63.00000  111.10000
   65    71    78    63.00000  111.10000
   71    65    66    80.00000  120.40000
   71    72    73    37.50000  110.70000
   71    72    82    58.35000  112.70000
   71    72    85    50.00000  109.50000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   72    82    83    37.50000  110.70000
   72    82    84    37.50000  110.70000
   72    82    87    63.00000  111.10000
   72    85    86    55.00000  108.50000
   82    72    73    37.50000  110.70000
   82    87    88    80.00000  120.40000
   82    87    89    81.00000  111.40000
   84    82    83    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    35.00000  109.50000
   87    89    90    83.00000  116.90000
   89    87    88    83.00000  123.40000
   89    90    91    35.00000  109.50000
   89    90    92    50.00000  109.50000
   89    90    95    85.00000  110.90400
   90    92    93    37.50000  110.70000
   90    92    94    37.50000  110.70000
   90    92    40    58.35000  112.70000
   90    95    96    70.00000  124.00000
   90    95    98    65.00000  117.92700
   92    90    91    37.50000  110.70000
   92    40    41    50.00000  109.50000
   92    40    42    37.50000  110.70000
   94    92    93    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    92    93    37.50000  110.70000
   40    92    94    37.50000  110.70000
   42    40    41    45.00000  125.66300
   95    90    91    35.00000  109.50000
   95    90    92    70.00000  112.02700
   95    96    97    35.00000  120.00000
   95    96   102    60.00000  123.20500
   95    98    99    35.00000  109.50000
   95    98   100    35.00000  109.50000
   95    98   101    35.00000  109.50000
   96   102   103    60.00000  120.93500
   96   102   107    70.00000  118.40000
  102    96    97    40.00000  117.26300
  102   103   104    35.00000  130.70000
  102   103   105    80.00000  111.29200
  102   107   106    70.00000  110.00000
  103   105   106   120.00000   89.04400
  105   103   104    40.00000  122.38200
  105   106   107    80.00000  114.57700
  105   106   108    65.00000  125.49400
  106   108   109    45.00000  109.19200
  106   108   110    45.00000  109.19200
  106   108   111    45.00000  109.19200
  107   102   103    70.00000  111.00000
  108   106   107    65.00000  125.57700
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   98    95    96    70.00000  124.00000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   85    72    73    35.00000  109.50000
   85    72    82    50.00000  109.50000
   74    71    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    72    58.35000  112.70000
   78    71    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    65    63.00000  111.10000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    55    56    35.00000  109.50000
   63    55    61    50.00000  109.50000
   57    53    54    37.50000  110.70000
   57    53    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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
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   43    33    40    92   0.56750  1.0 1.0
   43    33    40    92  -0.07550 -1.0 2.0
   43    33    40    92   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   61    71    65    66  10.50000 -1.0 2.0
   82    89    87    88  10.50000 -1.0 2.0
   90    98    95    96  15.00000 -1.0 2.0
  102    97    96    95  15.00000 -1.0 2.0
  103   107   102    96   4.00000 -1.0 2.0
  105   104   103   102   1.10000 -1.0 2.0
  108   107   106   105   4.00000 -1.0 2.0
END
