* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    214    344     644
    1     0 S   NP   _N1_     1    28.64932    96.05770   -22.88872
    2     1 S   H    _HN1     2     1.02949    75.24508    14.31359
    3     1 S   H    _H1_     3     1.02828    37.48452   161.70409
    4     1 S   H    _H2_     4     1.02787   100.22211   -92.16409
    5     1 S   CT   _CA1     5     1.50114   142.18938   118.70877
    6     5 S   HC   _HA1     6     1.09572   105.18859    85.59183
    7     5 S   CO3  _C1_     7     1.53785   112.48080   -34.64271
    8     7 S   O2Z  _O11     8     1.26373   115.00465   -42.08508
    9     7 S   O2Z  _O12     9     1.26240   114.95069   137.03891
   10     5 S   CT   _CB1    10     1.53076   107.41927  -156.41222
   11    10 S   HC   HB11    11     1.09834   109.37057   -49.54733
   12    10 S   HC   HB12    12     1.09812   110.44820    67.06315
   13    10 S   CT   _CG1    13     1.52993   112.61070  -170.51355
   14    13 S   HC   HG11    14     1.09579   110.65393   -65.99201
   15    13 S   HC   HG12    15     1.09670   109.76531    53.24514
   16    13 S   C    _CD1    16     1.51798   112.19021   173.71391
   17    16 S   O    _OE1    17     1.22733   123.27159     8.13615
   18    16 S   N    _N2_    18     1.38654   111.69554  -171.98119
   19    18 S   H    _HN2    19     1.01576   118.93639     1.69685
   20    18 S   CT1  _CA2    20     1.46212   123.38880   177.30899
   21    20 S   HC   _HA2    21     1.09740   109.37503     3.68228
   22    20 S   C    _C2_    22     1.53593   108.53954  -111.77738
   23    22 S   O    _O2_    23     1.23060   122.29367  -147.39624
   24    20 S   CT   _CB2    32     1.53533   111.68669   125.71644
   25    24 S   HC   HB21    33     1.09520   109.43442    56.04748
   26    24 S   HC   HB22    34     1.09287   109.53021   174.88281
   27    22 S   N    _N3_    24     1.38329   113.71531    40.00066
   28    27 S   H    _HN3    25     1.01576   119.59964    -3.16706
   29    24 S   S    _SG2    35     1.83092   111.04040   -64.19142
   30    27 S   CT   _CA3    26     1.45286   123.23129   177.20362
   31    30 S   HC   HA31    27     1.09548   107.49944   -64.94239
   32    30 S   HC   HA32    28     1.09556   108.00226    51.50421
   33    29 S   CT   _C22    36     1.91793   103.55018  -170.34600
   34    30 S   CO3  _C3_    29     1.52966   114.06704   173.51185
   35    34 S   O2Z  _O31    30     1.26378   116.07043    -0.62807
   36    34 S   O2Z  _O32    31     1.26428   114.41301   179.43283
   37    33 S   CT   _C10    37     1.54597   103.64322    76.12014
   38    37 S   HC   _H40    38     1.09603   111.30469   -48.74970
   39    37 S   HC   _H41    39     1.09115   112.40233  -165.33637
   40    33 S   CT   _C12    54     1.54370   107.74963   -41.54155
   41    40 S   HC   _H44    55     1.09642   110.63167    66.82182
   42    40 S   HC   _H45    56     1.09804   109.98703   -50.71172
   43    37 S   CO4  _C6_    40     1.51596   113.25055    72.11634
   44    43 S   O    _O29    41     1.23047   121.37420  -156.68337
   45    43 S   CM   _C4_    42     1.48062   119.25411    25.90332
   46    45 S   HC   _H38    43     1.08409   117.38181   178.02702
   47    45 S   CM   _C5_    44     1.33812   121.34723     0.34035
   48    47 S   HC   _H39    45     1.08880   117.17618   176.89587
   49    33 S   CT   _C19    46     1.61708   111.33542  -162.99648
   50    49 S   CT   _C23    47     1.63197   112.92919   166.73712
   51    50 S   Cl   CL37    48     1.85553   108.92312    69.50657
   52    49 S   CT   _C25   106     1.56279   109.23565    44.07126
   53    52 S   HC   _H57   107     1.09324   112.20549    68.64028
   54    52 S   HC   _H58   108     1.09284   113.60386   -53.26674
   55    52 S   HC   _H59   109     1.09279   112.41061  -168.58516
   56    50 S   CT   _C15    49     1.57109   110.24244   -49.25542
   57    56 S   HC   _H50    50     1.09510   108.39771   -62.62049
   58    50 S   CT   _C18    69     1.57979   116.49597  -174.92781
   59    58 S   HC   _H53    70     1.09732   108.92009   -64.16729
   60    56 S   CT   _C11    51     1.53245   111.92452    54.02592
   61    60 S   HC   _H42    52     1.09682   109.58183  -177.05842
   62    60 S   HC   _H43    53     1.09534   111.23265    66.33379
   63    56 S   CT   _C16    57     1.54355   111.14890   179.03856
   64    63 S   HC   _H51    58     1.09917   106.97850   -61.04933
   65    58 S   OH   _O35    71     1.42168   112.66551    52.78375
   66    65 S   HO   _H75    72     0.97259   108.00554  -173.29343
   67    63 S   CT   _C13    59     1.52233   118.82766  -179.39413
   68    67 S   HC   _H46    60     1.09553   111.60652   -49.51938
   69    67 S   HC   _H47    61     1.09543   112.00610    70.90923
   70    67 S   CT   _C17    62     1.55020   103.21334  -170.29214
   71    70 S   HC   _H52    63     1.09806   105.46786   -95.34310
   72    70 S   CT   _C20    64     1.58543   106.54924    20.06594
   73    70 S   CT   _C24   102     1.52307   110.61669   150.44903
   74    73 S   HC   _H54   103     1.09358   112.29405   -61.10689
   75    73 S   HC   _H55   104     1.09435   111.04170   176.58774
   76    73 S   HC   _H56   105     1.09597   110.12661    58.08193
   77    63 S   CT   _C21    65     1.54849   114.06562    59.29918
   78    72 S   CO4  _C7_    77     1.55444   118.50777   133.17071
   79    78 S   O    _O30    78     1.23232   122.25550   -28.38927
   80    72 S   OS   _O36    92     1.45897   107.46485  -102.90587
   81    77 S   CT   _C14    66     1.55064   107.46661   -58.40368
   82    81 S   HC   _H48    67     1.09502   110.47661   -68.59513
   83    81 S   HC   _H49    68     1.09628   109.10626   175.09863
   84    77 S   CT   _C26    73     1.55653   112.79856    62.75385
   85    84 S   HC   _H60    74     1.09332   112.75567    70.49348
   86    84 S   HC   _H61    75     1.09119   113.39960   -49.56593
   87    84 S   HC   _H62    76     1.09622   110.64603  -169.93757
   88    78 S   CT   _C29    79     1.52381   117.73490   154.26555
   89    88 S   HC   _H69    80     1.09125   110.12591    40.04483
   90    88 S   HC   _H70    81     1.09351   108.87724   -81.63433
   91    80 S   CO4  _C8_    93     1.36619   120.40788   -65.45532
   92    91 S   O    _O33    94     1.22242   125.86833    -1.80385
   93    88 S   OS   _O37    82     1.43025   108.63038   159.58921
   94    91 S   CT   _C30    95     1.50976   108.75086   178.63456
   95    94 S   HC   _H71    96     1.09513   108.43896   -59.36324
   96    94 S   HC   _H72    97     1.09516   108.42862    59.03155
   97    93 S   CO4  _C9_    83     1.36515   115.29058  -179.64282
   98    97 S   O    _O34    84     1.22315   125.69001     0.16313
   99    94 S   CT   _C27    98     1.51834   112.05790   179.81233
  100    99 S   HC   _H63    99     1.09510   111.03462   -59.97201
  101    99 S   HC   _H64   100     1.09508   111.04193    59.94419
  102    99 S   HC   _H65   101     1.09430   110.39483   180.00000
  103    97 S   CT   _C31    85     1.51027   108.97240  -179.88131
  104   103 S   HC   _H73    86     1.09512   108.45269   -59.16320
  105   103 S   HC   _H74    87     1.09511   108.45491    59.24630
  106   103 S   CT   _C28    88     1.51861   112.08894  -179.94766
  107   106 S   HC   _H66    89     1.09508   111.04434   -59.96434
  108   106 S   HC   _H67    90     1.09509   111.04360    59.95979
  109   106 S   HC   _H68    91     1.09431   110.39164   180.00000
  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
  23   2   1   1  14   6   5  13   6   5   6   3   6   3  10   3
  14  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8
   5   1  14   6   5  14   8  22   6   2   1   1  12  10   5   9
   6   2   1   3   2   1   1   6   3   2   8   4   6   6   5   4
   8   4   3   2   1   1   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    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    49    50    60    40    41    42    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    50    51    56    60    61    62    40    41    42    58    52    53    54    55  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    49    50    60    40    41    42    52  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    63    52    43    47    49    50    56    57    60    61    62  
   42    49    56    60    61    62  
   49    56    60    61    62  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50    52  
   47    48    49  
   48    49    50    51    56    58    52    53    54    55  
   49    50    52  
   50    51    56    57    60    63    81    58    59    65    52    53    54    55  
   51    56    57    60    61    62    63    64    67    77    81    82    83    58    59    65    66    52    53    54    55  
   56    57    60    63    81    58    59    65    52  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    60    61    62    63    64    67    68    69    70    72    77    81    58    59    65    84  
   60    61    62    63    64    67    77    58  
   59    65    66    84    60    63    72    77    81    82    83  
   65    66    77    81    82    83  
   61    62    63    64    67    77  
   62    63  
   63  
   64    67    68    69    70    71    72    77    81    82    83    84    85    86    87    78    80    73  
   67    68    69    70    72    77    81    84  
   66    77    81    82    83  
   81  
   68    69    70    71    72    77    81    84    78    80    73    74    75    76  
   69    70    71    72    77    73  
   70    71    72    77    73  
   71    72    77    81    84    78    79    88    80    91    73    74    75    76  
   72    77    78    80    73    74    75    76  
   77    81    82    83    84    85    86    87    78    79    88    89    90    93    80    91    92    94    73    74    75    76  
   74    75    76    77    78    80  
   75    76  
   76  
    0  
   81    82    83    84    85    86    87    78    79    88    80    91  
   79    88    89    90    93    97    80    91    81    84  
   88    89    90    93    80  
   91    92    94    95    96    99    81    84    88  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90    93    97    98   103  
   90    93    97  
   93    97  
   92    94    95    96    99   100   101   102  
   94    95    96    99  
   97    98   103   104   105   106  
   95    96    99   100   101   102  
   96    99   100   101   102  
   99   100   101   102  
   98   103   104   105   106   107   108   109  
  103   104   105   106  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   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    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   320.000  1.462
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   245.000  1.781
   50    56   268.000  1.529
   50    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    77   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    73   268.000  1.529
   72    77   268.000  1.529
   72    78   317.000  1.522
   72    80   320.000  1.410
   77    81   268.000  1.529
   77    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    58   268.000  1.529
   58    59   340.000  1.090
   58    65   320.000  1.410
   65    66   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    79   570.000  1.229
   78    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    93   320.000  1.410
   93    97   214.000  1.327
   97    98   570.000  1.229
   97   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   80    91   214.000  1.327
   91    92   570.000  1.229
   91    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    40    60    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    40.00000  117.72500
   43    45    47    65.00000  118.96000
   45    43    44    80.00000  123.72100
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    58.35000  112.70000
   49    47    48    35.00000  117.00000
   49    50    51    69.00000  109.80000
   49    50    56    58.35000  112.70000
   49    50    58    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    58.35000  112.70000
   50    58    81    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    65    50.00000  109.50000
   56    50    51    69.00000  109.80000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    40    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    67    58.35000  112.70000
   56    63    77    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    40    41    37.50000  110.70000
   60    40    42    37.50000  110.70000
   62    60    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    60    61    37.50000  110.70000
   40    60    62    37.50000  110.70000
   42    40    41    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    77    72    58.35000  112.70000
   63    77    81    58.35000  112.70000
   63    77    84    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    77    58.35000  112.70000
   70    72    78    63.00000  111.10000
   70    72    80    50.00000  109.50000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   72    70    71    37.50000  110.70000
   72    77    81    58.35000  112.70000
   72    77    84    58.35000  112.70000
   72    78    79    80.00000  120.40000
   72    78    88    70.00000  116.00000
   72    80    91    83.00000  116.90000
   77    63    64    37.50000  110.70000
   77    63    67    58.35000  112.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    58    58.35000  112.70000
   77    84    85    37.50000  110.70000
   77    84    86    37.50000  110.70000
   77    84    87    37.50000  110.70000
   81    58    59    37.50000  110.70000
   81    58    65    50.00000  109.50000
   83    81    82    33.00000  107.80000
   58    50    51    69.00000  109.80000
   58    50    56    58.35000  112.70000
   58    81    82    37.50000  110.70000
   58    81    83    37.50000  110.70000
   58    65    66    55.00000  108.50000
   65    58    59    35.00000  109.50000
   84    77    81    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    72    77    63.00000  111.10000
   78    88    89    35.00000  109.50000
   78    88    90    35.00000  109.50000
   78    88    93    90.00000  108.74100
   88    78    79    80.00000  120.40000
   88    93    97    83.00000  116.90000
   90    88    89    33.00000  107.80000
   93    88    89    35.00000  109.50000
   93    88    90    35.00000  109.50000
   93    97    98    83.00000  123.40000
   93    97   103    81.00000  111.40000
   97   103   104    35.00000  109.50000
   97   103   105    35.00000  109.50000
   97   103   106    63.00000  111.10000
  103    97    98    80.00000  120.40000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   80    72    77    50.00000  109.50000
   80    72    78    90.00000  108.74100
   80    91    92    83.00000  123.40000
   80    91    94    81.00000  111.40000
   91    94    95    35.00000  109.50000
   91    94    96    35.00000  109.50000
   91    94    99    63.00000  111.10000
   94    91    92    80.00000  120.40000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    37.50000  110.70000
   96    94    95    33.00000  107.80000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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
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   77    63   -67    70   0.20000  1.0 3.0
   77    72    78    79   0.30150 -1.0 2.0
   77    72    78    88   0.60050  1.0 1.0
   77    72    78    88   0.05600 -1.0 2.0
   77    72    78    88   0.26150  1.0 3.0
   77    72    80    91  -0.25900  1.0 1.0
   77    72    80    91  -0.47000 -1.0 2.0
   77    72    80    91   0.11750  1.0 3.0
   77    81   -58    50   0.56750  1.0 1.0
   77    81   -58    50  -0.07550 -1.0 2.0
   77    81   -58    50   0.20000  1.0 3.0
   77    81    58    59   0.15000  1.0 3.0
   77    81    58    65   0.86500  1.0 1.0
   77    81    58    65  -0.17500 -1.0 2.0
   77    81    58    65   0.20800  1.0 3.0
   81    77    84    85   0.15000  1.0 3.0
   81    77    84    86   0.15000  1.0 3.0
   81    77    84    87   0.15000  1.0 3.0
   81    58    65    66  -0.11600  1.0 1.0
   81    58    65    66  -0.09450 -1.0 2.0
   81    58    65    66   0.21250  1.0 3.0
   82    81    58    50   0.15000  1.0 3.0
   82    81    58    59   0.15000  1.0 3.0
   82    81    58    65   0.23400  1.0 3.0
   83    81    58    50   0.15000  1.0 3.0
   83    81    58    59   0.15000  1.0 3.0
   83    81    58    65   0.23400  1.0 3.0
   58    50    56    57   0.15000  1.0 3.0
   58    50    56    60   0.56750  1.0 1.0
   58    50    56    60  -0.07550 -1.0 2.0
   58    50    56    60   0.20000  1.0 3.0
   58    50   -56    63   0.56750  1.0 1.0
   58    50   -56    63  -0.07550 -1.0 2.0
   58    50   -56    63   0.20000  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   84    77    81    82   0.15000  1.0 3.0
   84    77    81    83   0.15000  1.0 3.0
   84    77    81    58   0.56750  1.0 1.0
   84    77    81    58  -0.07550 -1.0 2.0
   84    77    81    58   0.20000  1.0 3.0
   78    72    77    63  -0.95700  1.0 1.0
   78    72    77    63  -0.18200 -1.0 2.0
   78    72    77    63   0.29450  1.0 3.0
   78    72    77    81  -0.95700  1.0 1.0
   78    72    77    81  -0.18200 -1.0 2.0
   78    72    77    81   0.29450  1.0 3.0
   78    72    77    84  -0.95700  1.0 1.0
   78    72    77    84  -0.18200 -1.0 2.0
   78    72    77    84   0.29450  1.0 3.0
   78    72    80    91  -1.80650  1.0 1.0
   78    72    80    91   0.63900 -1.0 2.0
   78    72    80    91   0.03650  1.0 3.0
   78    88    93    97  -1.80650  1.0 1.0
   78    88    93    97   0.63900 -1.0 2.0
   78    88    93    97   0.03650  1.0 3.0
   79    78    88    89   0.00000  1.0 1.0
   79    78    88    90   0.00000  1.0 1.0
   79    78    88    93   0.30150 -1.0 2.0
   88    93    97    98   3.00000 -1.0 2.0
   88    93    97   103   1.63150  1.0 1.0
   88    93    97   103   2.92000 -1.0 2.0
   89    88    93    97   0.08050  1.0 3.0
   90    88    93    97   0.08050  1.0 3.0
   93    97   103   104   0.00000  1.0 1.0
   93    97   103   105   0.00000  1.0 1.0
   93    97   103   106   0.36750  1.0 3.0
   97   103   106   107  -0.11250  1.0 3.0
   97   103   106   108  -0.11250  1.0 3.0
   97   103   106   109  -0.11250  1.0 3.0
   98    97   103   104   0.00000  1.0 1.0
   98    97   103   105   0.00000  1.0 1.0
   98    97   103   106   0.30150 -1.0 2.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   109   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   109   0.15000  1.0 3.0
   80    72    77    63   0.62750  1.0 1.0
   80    72    77    63  -0.30950 -1.0 2.0
   80    72    77    63   0.27300  1.0 3.0
   80    72    77    81   0.62750  1.0 1.0
   80    72    77    81  -0.30950 -1.0 2.0
   80    72    77    81   0.27300  1.0 3.0
   80    72    77    84   0.62750  1.0 1.0
   80    72    77    84  -0.30950 -1.0 2.0
   80    72    77    84   0.27300  1.0 3.0
   80    72    78    79   0.30150 -1.0 2.0
   80    72    78    88   0.55300  1.0 1.0
   80    72    78    88   1.25850 -1.0 2.0
   80    72    78    88  -0.23600  1.0 3.0
   80    91    94    95   0.00000  1.0 1.0
   80    91    94    96   0.00000  1.0 1.0
   80    91    94    99   0.36750  1.0 3.0
   91    94    99   100  -0.11250  1.0 3.0
   91    94    99   101  -0.11250  1.0 3.0
   91    94    99   102  -0.11250  1.0 3.0
   92    91    94    95   0.00000  1.0 1.0
   92    91    94    96   0.00000  1.0 1.0
   92    91    94    99   0.30150 -1.0 2.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.15000  1.0 3.0
   96    94    99   100   0.15000  1.0 3.0
   96    94    99   101   0.15000  1.0 3.0
   96    94    99   102   0.15000  1.0 3.0
   73    70    72    77   0.56750  1.0 1.0
   73    70    72    77  -0.07550 -1.0 2.0
   73    70    72    77   0.20000  1.0 3.0
   73    70    72    78  -0.95700  1.0 1.0
   73    70    72    78  -0.18200 -1.0 2.0
   73    70    72    78   0.29450  1.0 3.0
   73    70    72    80   0.62750  1.0 1.0
   73    70    72    80  -0.30950 -1.0 2.0
   73    70    72    80   0.27300  1.0 3.0
   52    49    50    51   0.35600  1.0 1.0
   52    49    50    51  -0.14650 -1.0 2.0
   52    49    50    51   0.33350  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    58   0.56750  1.0 1.0
   52    49    50    58  -0.07550 -1.0 2.0
   52    49    50    58   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   43    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   72    88    78    79  10.50000 -1.0 2.0
   93   103    97    98  10.50000 -1.0 2.0
   80    94    91    92  10.50000 -1.0 2.0
END
