* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    216    357     658
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02109    34.39615  -172.09624
    3     1 S   H    _H1_     3     1.02091    96.25517   -57.92431
    4     1 S   H    _H2_     4     1.02038    83.47016    50.29515
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   _C15    36     1.80685    98.61562   161.82378
   34    33 S   HC   _H21    37     1.09313   108.85055    40.54033
   35    33 S   HC   _H22    38     1.09414   108.83306   159.71091
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CO4  _C14    39     1.51077   111.68526   -80.00905
   40    39 S   O    _O33    40     1.22400   125.69620     0.25179
   41    39 S   CT   _C13    41     1.50273   114.74765  -179.68784
   42    41 S   HC   _H6_    42     1.09603   106.12713     0.05935
   43    41 S   CT   _C12    43     1.54589   109.19295  -119.30674
   44    43 S   HC   _H19    44     1.09702   110.35807   134.58614
   45    43 S   HC   _H20    45     1.09644   112.39703    15.22426
   46    43 S   CT   _C11    46     1.53911   106.99356  -106.43906
   47    46 S   HC   _H17    47     1.09505   111.40622   131.47409
   48    46 S   HC   _H18    48     1.09519   109.71474  -109.63213
   49    46 S   CT   _C10    49     1.52373   104.20464    10.78248
   50    49 S   HC   _H5_    50     1.10071   105.14801    77.51881
   51    49 S   CT   _C9_    51     1.53580   119.75275  -166.11637
   52    51 S   HC   _H4_    52     1.09852   103.47741   -87.90414
   53    51 S   CT   _C16    53     1.53980   117.18910    29.07318
   54    53 S   HC   _H23    54     1.09559   111.04641    47.37212
   55    53 S   HC   _H24    55     1.09779   108.86832   -69.55343
   56    51 S   CT   _C8_    72     1.54758   111.81658   156.09916
   57    56 S   HC   _H3_    73     1.08883   105.89691   -83.72700
   58    53 S   CT   _C17    56     1.54368   112.59466   169.70092
   59    58 S   HC   _H25    57     1.09805   108.85102   142.12461
   60    58 S   HC   _H26    58     1.09769   109.79807  -102.30658
   61    56 S   CT   _C7_    74     1.53818   111.35187    29.76465
   62    61 S   HC   _H15    75     1.09451   110.72878   176.73757
   63    61 S   HC   _H16    76     1.09525   109.46178    59.03689
   64    58 S   CT   _C18    59     1.53399   111.23781    20.16449
   65    64 S   HC   _H7_    60     1.09545   104.87583    55.09723
   66    61 S   CT   _C6_    77     1.54846   112.42238   -61.81795
   67    66 S   HC   _H13    78     1.09393   107.30740   156.30679
   68    66 S   HC   _H14    79     1.09652   108.51007   -90.64552
   69    64 S   CT   _C23    61     1.53208   114.28399   168.29413
   70    69 S   HC   _H29    62     1.10551   108.73382   -65.83833
   71    69 S   HC   _H30    63     1.10285   111.35427    49.88076
   72    41 S   CT   _C5_    80     1.55290   114.20201   123.90791
   73    69 S   CT   _C22    64     1.54163   111.88505   174.12460
   74    73 S   HC   _H9_    65     1.10221   108.17835  -109.52175
   75    72 S   CT   _C4_    81     1.55256   106.71735  -157.81854
   76    75 S   HC   _H10    82     1.07996   108.50870   -53.05444
   77    75 S   HC   _H11    83     1.08002   108.56473  -173.08227
   78    75 S   HC   _H12    84     1.08049   108.48476    66.88125
   79    73 S   CT   _C21    66     1.53538   113.33384    13.43851
   80    79 S   HC   _H8_    67     1.08324   111.17984    72.89946
   81    73 S   OH   _O34   104     1.42923   108.56963   135.58682
   82    81 S   HO   _H31   105     0.96814   106.15430    59.90191
   83    79 S   CT   _C20    68     1.54423   115.77097   -50.43164
   84    83 S   HC   _H27    69     1.09060   106.99841   145.09804
   85    83 S   HC   _H28    70     1.08756   109.81697   -99.10339
   86    79 S   NP   _N4_    89     1.50201   108.81119  -172.76817
   87    86 S   H    _H32    90     1.03000   106.92545   -53.28986
   88    64 S   CT   _C19    71     1.56330   112.22859   -62.60627
   89    86 S   CT   _C24    91     1.51050   112.09954  -170.71033
   90    89 S   HC   _H33    92     1.09337   107.71894    57.31097
   91    89 S   HC   _H34    93     1.09435   107.07136   -61.60543
   92    88 S   CT   _C28    85     1.55645   112.10458   -80.03007
   93    92 S   HC   _H41    86     1.07905   108.52644    62.41440
   94    92 S   HC   _H42    87     1.08058   108.53189   -57.65811
   95    92 S   HC   _H43    88     1.08011   108.45248  -177.61747
   96    89 S   CT   _C25    94     1.51907   108.30681   177.88928
   97    96 S   HC   _H35    95     1.09468   109.72455   176.74791
   98    96 S   HC   _H36    96     1.09719   111.72734   -64.09983
   99    96 S   OS   _O35    97     1.42823   110.53675    58.19214
  100    99 S   CT   _C26    98     1.42906   111.23032   -62.11370
  101   100 S   HC   _H37    99     1.09693   109.54755   -61.44233
  102   100 S   HC   _H38   100     1.09483   107.64143  -177.98792
  103    86 S   CT   _C27   101     1.51105   112.07321    64.01868
  104   103 S   HC   _H39   102     1.09456   106.99159    61.66988
  105   103 S   HC   _H40   103     1.09284   107.74722   -57.25368
  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   6   5   4   3
   8   4   3   2   1   1  11   4  19   8  11   6   5  11   5   4
  19   7  19   9  13   6   5  21   8  11   5   4  11   6   5  16
   7   8   3   2  12   6   5   4  13   6   3   2   1   1  18   9
   3   1  11   4   3  15   8   4  10   6   5   3   2   1   1   7
   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    72  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    66    72    75  
   41    42    43    72  
   42    43    44    45    46    47    48    49    50    51    61    66    67    68    72    75    76    77    78  
   43    44    45    46    49    66    72    75  
   44    45    46    47    48    49    50    51    66    72    75  
   45    46    47    48    49    72  
   46    47    48    49    72  
   47    48    49    50    51    52    53    56    66    72    75  
   48    49    50    51    72  
   49    50    51    72  
   50    51    52    53    54    55    58    88    56    57    61    66    67    68    72    75    76    77    78  
   51    52    53    56    66    72    75  
   52    53    54    55    58    59    60    64    83    88    56    57    61    62    63    66    72    75    92  
   53    54    55    58    88    56    57    61    72  
   54    55    58    59    60    64    65    69    88    56    57    61    72  
   55    58    59    60    64    56  
   58    59    60    64    56  
   57    61    62    63    66    67    68    72    92    93    94    95    58    64    65    69    79    83    84    85    88  
   61    62    63    66    92    64    83    88  
   59    60    64    65    69    70    71    73    83    88    92  
   60    64    65    69    88  
   64    65    69    88  
   62    63    66    67    68    72    75    92    64    83    88  
   63    66    67    68    72    88  
   66    67    68    72    88  
   65    69    70    71    73    74    79    83    84    85    88    92    93    94    95    81  
   69    70    71    73    83    88    92  
   67    68    72    75    76    77    78    88  
   68    72    75  
   72    75  
   70    71    73    74    79    80    83    88    92    86    81    82  
   71    73    74    79    88    81  
   73    74    79    88    81  
   75    76    77    78  
   74    79    80    83    84    85    88    86    87    89   103    81    82  
   79    80    83    86    81    82  
   76    77    78  
   77    78  
   78  
    0  
   80    83    84    85    88    92    86    87    89    90    91    96   100   103   104   105    81    82  
   83    84    85    88    86    87    89   103    81  
   82    83    86  
    0  
   84    85    88    92    93    94    95    86    87    89   103  
   85    88    92    86  
   88    92    86  
   87    89    90    91    96    97    98    99   100   101   102   103   104   105    88  
   89    90    91    96   100   103   104   105  
   92    93    94    95  
   90    91    96    97    98    99   100   103   104   105  
   91    96    97    98    99   103  
   96    97    98    99   103  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100   101   102   103   104   105  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105  
  104   105  
  105  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   87   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   98   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   99   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  100   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   317.000  1.522
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    72   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    72   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    88   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    86   367.000  1.471
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   268.000  1.529
   88    56   268.000  1.529
   88    92   268.000  1.529
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   86    87   434.000  1.010
   86    89   367.000  1.471
   86   103   367.000  1.471
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   320.000  1.410
   99   100   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
   81    82   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  110.18000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    63.00000  111.10000
   39    41    72    63.00000  111.10000
   41    39    40    80.00000  120.40000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    72    49    58.35000  112.70000
   41    72    66    58.35000  112.70000
   41    72    75    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    72    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    58.35000  112.70000
   49    51    56    58.35000  112.70000
   49    72    66    58.35000  112.70000
   49    72    75    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    88    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    69    58.35000  112.70000
   58    64    88    58.35000  112.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    73    58.35000  112.70000
   64    88    83    58.35000  112.70000
   64    88    56    58.35000  112.70000
   64    88    92    58.35000  112.70000
   69    64    65    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    79    58.35000  112.70000
   69    73    81    50.00000  109.50000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    83    58.35000  112.70000
   73    79    86    80.00000  111.20000
   73    81    82    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    88    58.35000  112.70000
   79    86    87    35.00000  109.50000
   79    86    89    75.00000  113.01200
   79    86   103    75.00000  113.01200
   83    79    80    37.50000  110.70000
   83    88    56    58.35000  112.70000
   83    88    92    58.35000  112.70000
   85    83    84    33.00000  107.80000
   88    64    65    37.50000  110.70000
   88    64    69    58.35000  112.70000
   88    83    84    37.50000  110.70000
   88    83    85    37.50000  110.70000
   88    56    57    37.50000  110.70000
   88    56    61    58.35000  112.70000
   88    92    93    37.50000  110.70000
   88    92    94    37.50000  110.70000
   88    92    95    37.50000  110.70000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    66    58.35000  112.70000
   61    56    57    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    72    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    41    42    37.50000  110.70000
   72    41    43    58.35000  112.70000
   72    49    50    37.50000  110.70000
   72    49    51    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   92    88    56    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   86    79    80    35.00000  109.50000
   86    79    83    80.00000  111.20000
   86    89    90    35.00000  109.50000
   86    89    91    35.00000  109.50000
   86    89    96    80.00000  111.20000
   86   103   100    80.00000  111.20000
   86   103   104    35.00000  109.50000
   86   103   105    35.00000  109.50000
   89    86    87    35.00000  109.50000
   89    96    97    37.50000  110.70000
   89    96    98    37.50000  110.70000
   89    96    99    50.00000  109.50000
   91    89    90    33.00000  107.80000
   96    89    90    37.50000  110.70000
   96    89    91    37.50000  110.70000
   96    99   100    60.00000  109.50000
   98    96    97    33.00000  107.80000
   99    96    97    35.00000  109.50000
   99    96    98    35.00000  109.50000
   99   100   101    35.00000  109.50000
   99   100   102    35.00000  109.50000
   99   100   103    50.00000  109.50000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103    86    87    35.00000  109.50000
  103    86    89    75.00000  113.01200
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  105   103   104    33.00000  107.80000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   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
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   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    72   0.15000  1.0 3.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77   0.15000  1.0 3.0
   66    72    75    78   0.15000  1.0 3.0
   67    66    72    41   0.15000  1.0 3.0
   67    66    72    49   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   68    66    72    41   0.15000  1.0 3.0
   68    66    72    49   0.15000  1.0 3.0
   68    66    72    75   0.15000  1.0 3.0
   72    41    43    44   0.15000  1.0 3.0
   72    41    43    45   0.15000  1.0 3.0
   72    41   -43    46   0.56750  1.0 1.0
   72    41   -43    46  -0.07550 -1.0 2.0
   72    41   -43    46   0.20000  1.0 3.0
   72    49    51    52   0.15000  1.0 3.0
   72    49    51    53   0.56750  1.0 1.0
   72    49    51    53  -0.07550 -1.0 2.0
   72    49    51    53   0.20000  1.0 3.0
   72    49   -51    56   0.56750  1.0 1.0
   72    49   -51    56  -0.07550 -1.0 2.0
   72    49   -51    56   0.20000  1.0 3.0
   92    88    56    51   0.56750  1.0 1.0
   92    88    56    51  -0.07550 -1.0 2.0
   92    88    56    51   0.20000  1.0 3.0
   92    88    56    57   0.15000  1.0 3.0
   92    88    56    61   0.56750  1.0 1.0
   92    88    56    61  -0.07550 -1.0 2.0
   92    88    56    61   0.20000  1.0 3.0
   86    79    83    84   0.19200  1.0 3.0
   86    79    83    85   0.19200  1.0 3.0
   86    79    83    88   1.36600  1.0 1.0
   86    79    83    88  -0.11450 -1.0 2.0
   86    79    83    88   0.24250  1.0 3.0
   86    89    96    97   0.19200  1.0 3.0
   86    89    96    98   0.19200  1.0 3.0
   86    89    96    99   1.69300  1.0 1.0
   86    89    96    99  -0.48450 -1.0 2.0
   87    86    89    90   0.13050  1.0 3.0
   87    86    89    91   0.13050  1.0 3.0
   87    86    89    96   0.17350  1.0 3.0
   87    86   103   100   0.17350  1.0 3.0
   87    86   103   104   0.13050  1.0 3.0
   87    86   103   105   0.13050  1.0 3.0
   89    86   103   100   0.47100  1.0 1.0
   89    86   103   104   0.15000  1.0 3.0
   89    86   103   105   0.15000  1.0 3.0
   89    96   -99   100   0.06250  1.0 1.0
   89    96   -99   100  -0.01100 -1.0 2.0
   89    96   -99   100   0.28050  1.0 3.0
   90    89    96    97   0.15000  1.0 3.0
   90    89    96    98   0.15000  1.0 3.0
   90    89    96    99   0.23400  1.0 3.0
   91    89    96    97   0.15000  1.0 3.0
   91    89    96    98   0.15000  1.0 3.0
   91    89    96    99   0.23400  1.0 3.0
   96    99   100   101   0.37050  1.0 3.0
   96    99   100   102   0.37050  1.0 3.0
   96    99   100   103   0.06250  1.0 1.0
   96    99   100   103  -0.01100 -1.0 2.0
   96    99   100   103   0.28050  1.0 3.0
   97    96    99   100   0.37050  1.0 3.0
   98    96    99   100   0.37050  1.0 3.0
   99   100  -103    86   1.69300  1.0 1.0
   99   100  -103    86  -0.48450 -1.0 2.0
   99   100   103   104   0.23400  1.0 3.0
   99   100   103   105   0.23400  1.0 3.0
  101   100   103    86   0.19200  1.0 3.0
  101   100   103   104   0.15000  1.0 3.0
  101   100   103   105   0.15000  1.0 3.0
  102   100   103    86   0.19200  1.0 3.0
  102   100   103   104   0.15000  1.0 3.0
  102   100   103   105   0.15000  1.0 3.0
  103    86    89    90   0.15000  1.0 3.0
  103    86    89    91   0.15000  1.0 3.0
  103    86   -89    96   0.47100  1.0 1.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    83   0.86500  1.0 1.0
   81    73    79    83  -0.17500 -1.0 2.0
   81    73    79    83   0.20800  1.0 3.0
   81    73    79    86   1.69300  1.0 1.0
   81    73    79    86  -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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
END
