* LIGAND DATABASE FILE (OPLS2005)
*
001     103   106    200    328     605
    1     0 S   NP   _N1_     1    28.84664    93.10315   -22.14114
    2     1 S   H    _HN1     2     1.02957    97.61120    25.58646
    3     1 S   H    _H1_     3     1.02848    21.21339   144.35264
    4     1 S   H    _H2_     4     1.02788    93.87706   -83.36557
    5     1 S   CT   _CA1     5     1.50115   131.84869   152.11011
    6     5 S   HC   _HA1     6     1.09594   105.25256    56.76207
    7     5 S   CO3  _C1_     7     1.53758   111.88794   -63.13240
    8     7 S   O2Z  _O11     8     1.26378   115.15713   -58.37728
    9     7 S   O2Z  _O12     9     1.26223   114.83718   120.60322
   10     5 S   CT   _CB1    10     1.53057   107.33320   174.17577
   11    10 S   HC   HB11    11     1.09827   109.23727   -52.79327
   12    10 S   HC   HB12    12     1.09828   110.52497    63.64371
   13    10 S   CT   _CG1    13     1.53042   112.68982  -173.96688
   14    13 S   HC   HG11    14     1.09617   110.30041   -61.66230
   15    13 S   HC   HG12    15     1.09618   110.22660    57.62180
   16    13 S   C    _CD1    16     1.51808   111.88920   177.75249
   17    16 S   O    _OE1    17     1.22761   123.06272   -11.03549
   18    16 S   N    _N2_    18     1.38606   111.87932   169.47026
   19    18 S   H    _HN2    19     1.01564   119.20710     1.81143
   20    18 S   CT1  _CA2    20     1.46324   123.16754  -175.97348
   21    20 S   HC   _HA2    21     1.09730   109.28918    -9.96208
   22    20 S   C    _C2_    22     1.53378   108.66401  -125.79490
   23    22 S   O    _O2_    23     1.23015   122.25625  -147.20636
   24    20 S   CT   _CB2    32     1.53528   111.38980   111.65751
   25    24 S   HC   HB21    33     1.09559   109.59821    59.68848
   26    24 S   HC   HB22    34     1.09477   110.35357   178.53433
   27    22 S   N    _N3_    24     1.38523   113.40701    40.23971
   28    27 S   H    _HN3    25     1.01523   118.82871    -0.78584
   29    24 S   S    _SG2    35     1.82861   111.32726   -61.12431
   30    27 S   CT   _CA3    26     1.45449   123.55016   175.17753
   31    30 S   HC   HA31    27     1.09514   109.35176    22.14865
   32    30 S   HC   HA32    28     1.09498   107.09291   139.15486
   33    29 S   CT   _C11    36     1.88537    99.97089   167.29744
   34    33 S   HC   _H4_    37     1.09335   105.59742   -26.21877
   35    30 S   CO3  _C3_    29     1.52911   113.04198  -101.41886
   36    35 S   O2Z  _O31    30     1.26409   115.36877   -45.53913
   37    35 S   O2Z  _O32    31     1.26350   115.01239   135.40929
   38    33 S   CO3  _C12    38     1.56260    99.18208    81.43215
   39    38 S   O2Z  _O34    39     1.26339   117.69419    65.46024
   40    38 S   O2Z  _O33    40     1.26954   113.88741  -113.75538
   41    33 S   CT   _C10    41     1.60683   115.03610  -143.34487
   42    41 S   OM   _O35    42     1.32164   105.86712   -59.28393
   43    41 S   CT   _C9_    43     1.66345   112.10769  -175.17765
   44    41 S   CT   _C5_    60     1.68764   112.29749    60.04500
   45    43 S   CO4  _C13    44     1.57562   113.05830    44.54541
   46    45 S   O    _O36    45     1.23786   120.92117    56.97023
   47    44 S   CT   _C4_    61     1.57645   112.31550    22.37118
   48    47 S   HC   _H8_    62     1.09125   112.17621   -79.16370
   49    47 S   HC   _H9_    63     1.09782   111.30246   163.03860
   50    47 S   HC   _H10    64     1.09038   113.96978    44.29710
   51    44 S   CT   _C25    65     1.60537   115.95239   -97.80570
   52    51 S   HC   _H7_    66     1.09625   108.00363    54.15971
   53    43 S   CT   _C24   100     1.58155   113.19340   159.43937
   54    53 S   HC   _H28   101     1.09274   113.02575   117.64320
   55    53 S   HC   _H29   102     1.09360   113.49015    -3.17749
   56    53 S   HC   _H30   103     1.09690   112.50376  -123.13592
   57    45 S   CT   _C14    46     1.52437   121.40889  -132.01924
   58    57 S   HC   _H15    47     1.09622   107.68928   144.01882
   59    57 S   HC   _H16    48     1.09407   108.00662  -100.02763
   60    51 S   C5BC _C26    67     1.50659   118.19282   -69.01344
   61    51 S   OH   _O42    75     1.44041   108.86280   167.44720
   62    61 S   HO   _H34    76     0.97559   107.58129  -172.02868
   63    57 S   CT   _C15    49     1.50608   111.68841    23.69176
   64    63 S   HC   _H5_    50     1.10183   104.31172    60.55083
   65    60 S   C5BC _C27    68     1.42679   128.15924   -76.46726
   66    65 S   HA   _H31    69     1.08065   127.31228     2.52243
   67    63 S   CT   _C16    51     1.54286   112.45082   -55.35952
   68    65 S   C5A  _C28    70     1.37412   106.84753  -177.19956
   69    68 S   HA   _H32    71     1.08001   133.82730  -179.57204
   70    43 S   CT   _C8_    52     1.57812   105.45367   -80.00523
   71    70 S   HC   _H3_    53     1.09490   105.23138    41.90410
   72    68 S   OA   _O41    72     1.35587   110.44581     1.39872
   73    67 S   CT   _C17    77     1.55039    97.53713  -169.57034
   74    73 S   HC   _H6_    78     1.09826   109.36776   -71.66873
   75    67 S   CT   _C23    95     1.55621   115.66887   -50.64534
   76    75 S   HC   _H25    96     1.09351   110.35561   174.45914
   77    75 S   HC   _H26    97     1.09085   112.01707    55.03526
   78    70 S   CT   _C7_    54     1.53747   112.18627   -70.01035
   79    78 S   HC   _H13    55     1.09395   112.12135   -93.30424
   80    78 S   HC   _H14    56     1.09744   108.67436   150.39642
   81    60 S   C5A  _C29    73     1.38315   127.00409   109.38005
   82    81 S   HA   _H33    74     1.08079   133.22346    -2.89895
   83    73 S   OS   _O37    79     1.45447   104.18099    42.28074
   84    73 S   CT   _C21    89     1.52662   117.50883   162.37672
   85    84 S   HC   _H23    90     1.09406   110.37872    43.78495
   86    84 S   HC   _H24    91     1.09627   110.43407   -75.49223
   87    75 S   OH   _O40    98     1.41842   114.06384   -66.07119
   88    87 S   HO   _H27    99     0.97201   107.31048  -177.34583
   89    78 S   CT   _C6_    57     1.53433   113.41004    29.20692
   90    89 S   HC   _H11    58     1.09849   107.76434   159.23517
   91    89 S   HC   _H12    59     1.09119   108.61079   -88.49390
   92    63 S   CT   _C18    80     1.53410   121.00483   177.74137
   93    84 S   CO3  _C22    92     1.53479   115.80753   164.12593
   94    93 S   O2Z  _O39    93     1.26076   117.10146    -2.50405
   95    93 S   O2Z  _O38    94     1.26624   113.84468   177.92095
   96    92 S   CT   _C19    81     1.53810   111.00382   -99.36107
   97    96 S   HC   _H17    82     1.09625   110.75319  -175.89373
   98    96 S   HC   _H18    83     1.09494   111.49367    63.10696
   99    96 S   HC   _H19    84     1.09622   111.31480   -58.26976
  100    92 S   CT   _C20    85     1.52799   115.92743    24.20417
  101   100 S   HC   _H20    86     1.09616   110.60320   170.52224
  102   100 S   HC   _H21    87     1.09045   112.82333    51.82078
  103   100 S   HC   _H22    88     1.09533   111.37896   -69.03042
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1   6   2   1  25   8  22  20  15   6  11   4
   3   2  14   6   8   3   2   1  12   5   4  10   4   1  22   8
   6   4  21   4   2  16   6   2  16   7   8   3   2   5   4   3
   1   1  13   6   4   3   1   1   2   1   1   8   2   1   1   7
   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    70    89    44    47    51    53  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    43    45    46    57    67    70    71    78    89    90    91    44    47    48    49    50    51    52    60    61    53    54    55    56  
   43    45    70    89    44    47    51    53  
   45    46    57    58    59    63    67    70    71    78    79    80    89    44    47    51    73    75    53    54    55    56  
   47    48    49    50    51    52    60    65    81    61    62    53    45    70    78    79    80    89    90    91  
   46    57    58    59    63    64    67    70    71    78    92    53    54    55    56  
   57    58    59    63    70    53  
   48    49    50    51    52    60    61    78    89    90    91  
   49    50    51    89  
   50    51    89  
   51    89  
   52    60    65    66    68    72    81    82    61    62    78    89    90    91  
   60    65    81    61    62    89  
   54    55    56    57    67    70    71    78  
   55    56    70  
   56    70  
   70  
   58    59    63    64    67    70    73    83    92    96   100    75  
   59    63    64    67    92  
   63    64    67    92  
   65    66    68    69    72    81    82    61    62    89  
   62    65    81    89  
    0  
   64    67    70    71    78    73    74    83    92    96    97    98    99   100   101   102   103    84    75    76    77    87  
   67    70    73    83    92    96   100    75  
   66    68    69    72    81    82  
   68    69    72    81  
   70    71    78    79    80    89    73    74    83    92    96   100    84    85    86    93    75    76    77    87    88  
   69    72    81    82  
   72    81  
   71    78    79    80    89    90    91    73    74    83    92    84    75    76    77    87  
   78    79    80    89    73    75  
   81    82  
   74    83    92    96   100    84    85    86    93    94    95    75    76    77    87    78  
   83    92    84    85    86    93    75  
   76    77    87    88    78    83    84    92  
   77    87    88  
   87    88  
   79    80    89    90    91  
   80    89    90    91  
   89    90    91  
   82  
    0  
   92    96    97    98    99   100   101   102   103    84    85    86    93  
   85    86    93    94    95    92  
   86    93    94    95  
   93    94    95  
   88  
    0  
   90    91  
   91  
    0  
   96    97    98    99   100   101   102   103  
   94    95  
   95  
    0  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100  
  101   102   103  
  102   103  
  103  
    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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.320000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   83   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   570.000  1.307
   41    43   268.000  1.529
   41    44   268.000  1.529
   43    45   317.000  1.522
   43    70   268.000  1.529
   43    53   268.000  1.529
   45    46   570.000  1.229
   45    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    92   268.000  1.529
   67    70   268.000  1.529
   67    73   268.000  1.529
   67    75   268.000  1.529
   70    71   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    44   268.000  1.529
   44    47   268.000  1.529
   44    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    60   285.000  1.502
   51    61   320.000  1.410
   60    65   469.000  1.424
   60    81   546.000  1.367
   65    66   367.000  1.080
   65    68   546.000  1.367
   68    69   367.000  1.080
   68    72   340.000  1.360
   72    81   340.000  1.360
   81    82   367.000  1.080
   61    62   553.000  0.945
   73    74   340.000  1.090
   73    83   320.000  1.410
   73    84   268.000  1.529
   83    92   320.000  1.410
   92    96   268.000  1.529
   92   100   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    93   317.000  1.522
   93    94   656.000  1.250
   93    95   656.000  1.250
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    87   320.000  1.410
   87    88   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    50.00000  109.50000
   33    41    43    58.35000  112.70000
   33    41    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    43    45    63.00000  111.10000
   41    43    70    58.35000  112.70000
   41    43    53    58.35000  112.70000
   41    44    89    58.35000  112.70000
   41    44    47    58.35000  112.70000
   41    44    51    58.35000  112.70000
   43    41    42    50.00000  109.50000
   43    45    46    80.00000  120.40000
   43    45    57    70.00000  116.00000
   43    70    67    58.35000  112.70000
   43    70    71    37.50000  110.70000
   43    70    78    58.35000  112.70000
   43    53    54    37.50000  110.70000
   43    53    55    37.50000  110.70000
   43    53    56    37.50000  110.70000
   45    57    58    35.00000  109.50000
   45    57    59    35.00000  109.50000
   45    57    63    63.00000  111.10000
   57    45    46    80.00000  120.40000
   57    63    64    37.50000  110.70000
   57    63    67    58.35000  112.70000
   57    63    92    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    67    70    58.35000  112.70000
   63    67    73    58.35000  112.70000
   63    67    75    58.35000  112.70000
   63    92    83    50.00000  109.50000
   63    92    96    58.35000  112.70000
   63    92   100    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    78    58.35000  112.70000
   67    73    74    37.50000  110.70000
   67    73    83    50.00000  109.50000
   67    73    84    58.35000  112.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    87    50.00000  109.50000
   70    43    45    63.00000  111.10000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    89    58.35000  112.70000
   78    70    71    37.50000  110.70000
   78    89    90    37.50000  110.70000
   78    89    91    37.50000  110.70000
   78    89    44    58.35000  112.70000
   80    78    79    33.00000  107.80000
   89    78    79    37.50000  110.70000
   89    78    80    37.50000  110.70000
   89    44    47    58.35000  112.70000
   89    44    51    58.35000  112.70000
   91    89    90    33.00000  107.80000
   44    41    42    50.00000  109.50000
   44    41    43    58.35000  112.70000
   44    89    90    37.50000  110.70000
   44    89    91    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    60    70.00000  112.17500
   44    51    61    50.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    44    47    58.35000  112.70000
   51    60    65    60.00000  130.00000
   51    60    81    60.00000  130.00000
   51    61    62    55.00000  108.50000
   60    51    52    35.00000  109.50000
   60    65    66    35.00000  127.50000
   60    65    68    70.00000  107.30000
   60    81    72    70.00000  110.60000
   60    81    82    35.00000  132.10000
   65    68    69    35.00000  132.10000
   65    68    72    70.00000  110.60000
   68    65    66    35.00000  125.70000
   68    72    81    70.00000  106.50000
   72    68    69    35.00000  113.40000
   72    81    82    35.00000  113.40000
   81    60    65    70.00000  107.30000
   61    51    52    35.00000  109.50000
   61    51    60    90.00000  112.51600
   73    67    70    58.35000  112.70000
   73    83    92    60.00000  109.50000
   73    84    85    37.50000  110.70000
   73    84    86    37.50000  110.70000
   73    84    93    70.00000  109.69300
   83    73    74    35.00000  109.50000
   83    92    96    50.00000  109.50000
   83    92   100    50.00000  109.50000
   92    63    64    37.50000  110.70000
   92    63    67    58.35000  112.70000
   92    96    97    37.50000  110.70000
   92    96    98    37.50000  110.70000
   92    96    99    37.50000  110.70000
   92   100   101    37.50000  110.70000
   92   100   102    37.50000  110.70000
   92   100   103    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    92    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   84    73    74    37.50000  110.70000
   84    73    83    50.00000  109.50000
   84    93    94    70.00000  117.00000
   84    93    95    70.00000  117.00000
   86    84    85    33.00000  107.80000
   93    84    85    35.00000  109.50000
   93    84    86    35.00000  109.50000
   95    93    94    80.00000  126.00000
   75    67    70    58.35000  112.70000
   75    67    73    58.35000  112.70000
   75    87    88    55.00000  108.50000
   77    75    76    33.00000  107.80000
   87    75    76    35.00000  109.50000
   87    75    77    35.00000  109.50000
   53    43    45    63.00000  111.10000
   53    43    70    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
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   83    73    84    85   0.23400  1.0 3.0
   83    73    84    86   0.23400  1.0 3.0
   83    73    84    93  -3.35100  1.0 1.0
   83    73    84    93  -0.37050 -1.0 2.0
   83    73    84    93   0.22400  1.0 3.0
   83    92    96    97   0.23400  1.0 3.0
   83    92    96    98   0.23400  1.0 3.0
   83    92    96    99   0.23400  1.0 3.0
   83    92   100   101   0.23400  1.0 3.0
   83    92   100   102   0.23400  1.0 3.0
   83    92   100   103   0.23400  1.0 3.0
   92    63    67    70   0.56750  1.0 1.0
   92    63    67    70  -0.07550 -1.0 2.0
   92    63    67    70   0.20000  1.0 3.0
   92    63   -67    73   0.56750  1.0 1.0
   92    63   -67    73  -0.07550 -1.0 2.0
   92    63   -67    73   0.20000  1.0 3.0
   92    63    67    75   0.56750  1.0 1.0
   92    63    67    75  -0.07550 -1.0 2.0
   92    63    67    75   0.20000  1.0 3.0
   96    92   100   101   0.15000  1.0 3.0
   96    92   100   102   0.15000  1.0 3.0
   96    92   100   103   0.15000  1.0 3.0
  100    92    96    97   0.15000  1.0 3.0
  100    92    96    98   0.15000  1.0 3.0
  100    92    96    99   0.15000  1.0 3.0
   84    73    83    92   0.06250  1.0 1.0
   84    73    83    92  -0.01100 -1.0 2.0
   84    73    83    92   0.28050  1.0 3.0
   85    84    93    94   0.00000  1.0 1.0
   85    84    93    95   0.00000  1.0 1.0
   86    84    93    94   0.00000  1.0 1.0
   86    84    93    95   0.00000  1.0 1.0
   75    67    70    43   0.56750  1.0 1.0
   75    67    70    43  -0.07550 -1.0 2.0
   75    67    70    43   0.20000  1.0 3.0
   75    67    70    71   0.15000  1.0 3.0
   75    67    70    78   0.56750  1.0 1.0
   75    67    70    78  -0.07550 -1.0 2.0
   75    67    70    78   0.20000  1.0 3.0
   75    67    73    74   0.15000  1.0 3.0
   75    67    73    83   0.62750  1.0 1.0
   75    67    73    83  -0.30950 -1.0 2.0
   75    67    73    83   0.27300  1.0 3.0
   75    67    73    84   0.56750  1.0 1.0
   75    67    73    84  -0.07550 -1.0 2.0
   75    67    73    84   0.20000  1.0 3.0
   76    75    87    88   0.19450  1.0 3.0
   77    75    87    88   0.19450  1.0 3.0
   53    43    45    46   0.30150 -1.0 2.0
   53    43    45    57   0.60050  1.0 1.0
   53    43    45    57   0.05600 -1.0 2.0
   53    43    45    57   0.26150  1.0 3.0
   53    43    70    67   0.56750  1.0 1.0
   53    43    70    67  -0.07550 -1.0 2.0
   53    43    70    67   0.20000  1.0 3.0
   53    43    70    71   0.15000  1.0 3.0
   53    43    70    78   0.56750  1.0 1.0
   53    43    70    78  -0.07550 -1.0 2.0
   53    43    70    78   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   39    33    38    40  10.50000 -1.0 2.0
   43    57    45    46  10.50000 -1.0 2.0
   65    81    60    51   4.00000 -1.0 2.0
   68    66    65    60   1.10000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   72    82    81    60   1.10000 -1.0 2.0
   94    84    93    95  10.50000 -1.0 2.0
END
