* LIGAND DATABASE FILE (OPLS2005)
*
001     103   108    204    336     610
    1     0 S   NP   _N1_     1    28.76150    93.45905   -19.45317
    2     1 S   H    _HN1     2     1.02780    84.11002   -58.39816
    3     1 S   H    _H1_     3     1.03028   103.87949    48.71420
    4     1 S   H    _H2_     4     1.02818    27.04088   149.28173
    5     1 S   CT   _CA1     5     1.50233   133.96196  -173.82041
    6     5 S   HC   _HA1     6     1.09567   105.34686    43.53610
    7     5 S   CO3  _C1_     7     1.53752   112.47761   -76.77497
    8     7 S   O2Z  _O11     8     1.26337   115.07670   -43.36356
    9     7 S   O2Z  _O12     9     1.26252   114.88046   135.93242
   10     5 S   CT   _CB1    10     1.52939   107.05941   161.34434
   11    10 S   HC   HB11    11     1.09808   109.04691   -52.86217
   12    10 S   HC   HB12    12     1.09707   109.94033    63.35304
   13    10 S   CT   _CG1    13     1.53006   113.50831  -174.51892
   14    13 S   HC   HG11    14     1.09575   110.25599   -62.85300
   15    13 S   HC   HG12    15     1.09602   110.32003    56.52820
   16    13 S   C    _CD1    16     1.51894   111.71237   176.44967
   17    16 S   O    _OE1    17     1.22825   122.94966   -15.70377
   18    16 S   N    _N2_    18     1.38588   112.14946   164.88616
   19    18 S   H    _HN2    19     1.01608   119.09714    -0.15577
   20    18 S   CT1  _CA2    20     1.46345   123.24269  -179.27153
   21    20 S   HC   _HA2    21     1.09775   108.94435   -21.25369
   22    20 S   C    _C2_    22     1.53399   108.34257  -136.63162
   23    22 S   O    _O2_    23     1.22993   122.31011  -146.54048
   24    20 S   CT   _CB2    32     1.53726   112.04982   100.72869
   25    24 S   HC   HB21    33     1.09459   109.73465    54.90689
   26    24 S   HC   HB22    34     1.09485   110.06409   174.14844
   27    22 S   N    _N3_    24     1.38529   113.22807    41.01426
   28    27 S   H    _HN3    25     1.01532   118.90967    -0.71244
   29    24 S   S    _SG2    35     1.82570   111.35917   -65.94200
   30    27 S   CT   _CA3    26     1.45456   123.47420   174.53385
   31    30 S   HC   HA31    27     1.09521   109.20733    24.22220
   32    30 S   HC   HA32    28     1.09489   107.10066   141.30097
   33    29 S   CT   _C8_    36     1.85146   101.26342  -168.47557
   34    33 S   HC   _H5_    37     1.09449   105.35926    44.67896
   35    30 S   CO3  _C3_    29     1.52973   113.28459   -99.17103
   36    35 S   O2Z  _O31    30     1.26395   115.55620   -38.74218
   37    35 S   O2Z  _O32    31     1.26376   114.86797   142.19687
   38    33 S   CT   _C9_    38     1.54422   105.73792   -72.97365
   39    38 S   HC   _H6_    39     1.09841   110.31327   -27.73633
   40    38 S   CT   _C10    40     1.51547   115.74411  -150.89119
   41    40 S   HC   _H7_    41     1.10161   108.40108    87.69568
   42    38 S   OS   _O38    92     1.43667   111.48632    90.73362
   43    40 S   CT   _C15    42     1.55337   113.70866   -30.78256
   44    43 S   CM   _C16    43     1.54536   107.74771    58.66880
   45    43 S   C3T  _C14    83     1.53158   103.73998   179.86012
   46    45 S   HC   _H10    84     1.08219   115.78957   -98.67584
   47    43 S   CT   _C19   100     1.55081   115.71378   -58.74585
   48    47 S   HC   _H20   101     1.08914   113.39366   -53.44236
   49    47 S   HC   _H21   102     1.09780   110.57782  -172.68922
   50    47 S   HC   _H22   103     1.09242   113.33311    67.94167
   51    44 S   CM   _C17    44     1.34595   120.01506   152.25681
   52    51 S   HC   _H19    45     1.08475   122.10615    -0.52227
   53    45 S   C3T  _C13    85     1.51219   117.84638    44.47804
   54    53 S   HC   _H9_    86     1.08110   118.89733  -146.57586
   55    51 S   CO4  _C18    46     1.46526   122.31891  -176.75297
   56    55 S   O    _O33    47     1.22483   121.22266   165.27260
   57    53 S   CT   _C12    87     1.50273   119.97365     2.52197
   58    57 S   HC   _H8_    88     1.09692   106.70224  -157.48030
   59    45 S   O3T  _O35    99     1.42843   117.33293   111.13388
   60    55 S   OS   _O34    48     1.34784   115.79730   -13.51730
   61    40 S   CT   _C11    89     1.54803   102.90965  -157.30733
   62    57 S   OH   _O36    97     1.42525   109.58435    89.67458
   63    62 S   HO   _H23    98     0.97342   107.76987   173.17847
   64    60 S   CT   _C6_    49     1.45871   120.72974   -17.23938
   65    64 S   HC   _H4_    50     1.10008   106.68731   -65.38008
   66    61 S   CO4  _C20    90     1.51956   100.79786    29.73481
   67    66 S   O    _O37    91     1.22196   125.86043   166.21754
   68    61 S   CT   _C21    93     1.54551   109.99006   -82.91103
   69    68 S   HC   _H24    94     1.09564   110.98165   -64.78877
   70    68 S   HC   _H25    95     1.09664   110.80632   175.23786
   71    68 S   HC   _H26    96     1.09507   112.59177    56.26970
   72    33 S   CT   _C7_    51     1.57080   113.53496   163.65745
   73    64 S   CT   _C5_    54     1.55134   104.46996  -178.55125
   74    73 S   HC   _H3_    55     1.09228   109.01064   170.12546
   75    72 S   OH   _O39    52     1.43181   108.73250    57.95063
   76    75 S   HO   _H27    53     0.97452   107.44267   -71.52080
   77    73 S   CT   _C4_    56     1.53468   110.92481    52.64298
   78    77 S   HC   _H16    57     1.09504   111.62750   -75.30606
   79    77 S   HC   _H17    58     1.09470   110.62637   165.83677
   80    77 S   HC   _H18    59     1.09468   111.26670    46.91253
   81    73 S   OS1  _O40    60     1.43233   108.73889   -69.58451
   82    81 S   CO1  _C22    61     1.43415   115.01110  -166.87102
   83    82 S   HC   _H11    62     1.09770   108.99423    39.33987
   84    82 S   CT   _C23    63     1.53508   107.38674   158.70795
   85    84 S   HC   _H12    64     1.09674   110.04759    55.06461
   86    84 S   CT   _C24    65     1.53108   110.82523   176.80059
   87    86 S   HC   _H13    66     1.09538   110.27224    71.95181
   88    84 S   OH5  _O45    81     1.42708   110.31042   -61.89214
   89    88 S   HO   _H33    82     0.97358   107.95734   -53.94275
   90    86 S   CT   _C25    67     1.53155   111.18121   -50.35022
   91    90 S   HC   _H14    68     1.09698   109.04658   -71.77941
   92    86 S   OH5  _O44    79     1.43014   109.93108  -172.04525
   93    92 S   HO   _H32    80     0.97273   107.93562    59.05032
   94    90 S   CT   _C26    69     1.53314   110.71922    49.56150
   95    94 S   HC   _H15    70     1.09842   110.90235    65.08097
   96    90 S   OH5  _O43    77     1.42630   109.55433   171.41231
   97    96 S   HO   _H31    78     0.97268   108.11018   -60.32080
   98    82 S   OS1  _O41    71     1.42812   111.21061   -82.24420
   99    94 S   CT   _C27    72     1.52961   111.52100  -174.19931
  100    99 S   HC   _H28    73     1.09501   111.00765    69.75942
  101    99 S   HC   _H29    74     1.09397   111.55227   -52.66122
  102    99 S   OH5  _O42    75     1.42507   109.01920  -171.59438
  103   102 S   HO   _H30    76     0.97240   107.01388  -178.14027
  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  10   5   4   3
  18   8   2   1   1  16   7  24   9   7  20  20  14   5   8   2
   1   1   7   4   9   5   6   2  11   6   2   8   8   3   1  12
   6   5   1   3   2   1   1   6  11   6   1   1   5   3   2   1
   8  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3
   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    72    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    64    72    75    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    51    60    64    65    72    75    76    73    61    66    42  
   38    39    40    44    64    72    75    42  
   36    37  
   37  
    0  
   39    40    41    43    44    64    72    75    45    57    61    66    67    42    68    47  
   40    41    43    72    61    66    42  
   41    43    44    51    72    45    46    53    57    58    61    66    67    42    68    69    70    71    62    59    47    48    49    50  
   43    44    45    57    61    66    42    68    47  
   68    43    57    61    66    67    72  
   44    51    52    55    64    72    75    45    46    53    54    57    61    66    68    59    47    48    49    50  
   51    52    55    56    60    64    65    72    75    76    73    45    46    53    61    59    47    48    49    50  
   46    53    54    57    58    61    62    59    47    48    49    50    51    72  
   53    54    57    59    47  
   48    49    50    51    53    59    61    72  
   49    50  
   50  
    0  
   52    55    56    60    64    72    75  
   55    56    60    72  
   54    57    58    61    66    68    62    63    59  
   57    58    61    62    59  
   56    60    64    65    72    73  
   60    64  
   58    61    66    67    68    69    70    71    62    63    59  
   61    66    68    62    63    59  
   61    62  
   64    65    72    75    73    74    77    81  
   66    67    68    69    70    71    62    63  
   63    66    68  
    0  
   65    72    75    76    73    74    77    78    79    80    81    82  
   72    75    73    74    77    81  
   67    68    69    70    71  
   68  
   69    70    71  
   70    71  
   71  
    0  
   75    76    73    74    77    81  
   74    77    78    79    80    81    82    83    84    98    75  
   77    78    79    80    81    82  
   76  
    0  
   78    79    80    81    82  
   79    80    81  
   80    81  
   81  
   82    83    84    85    86    94    98    88  
   83    84    85    86    87    90    94    95    98    99    92    88    89  
   84    85    86    94    98    88  
   85    86    87    90    91    94    98    96    92    93    88    89  
   86    87    90    98    92    88    89  
   87    90    91    94    95    98    99    96    97    92    93    88    89  
   90    91    94    96    92    93    88  
   89    90    92    98  
    0  
   91    94    95    98    99   100   101   102    96    97    92    93  
   94    95    98    99    96    97    92  
   93    94    96  
    0  
   95    98    99   100   101   102   103    96    97  
   98    99   100   101   102    96  
   97    98    99  
    0  
   99   100   101   102  
  100   101   102   103  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    72   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    61   268.000  1.529
   43    44   317.000  1.510
   43    45   275.000  1.510
   43    47   268.000  1.529
   44    51   549.000  1.340
   44    72   317.000  1.510
   51    52   340.000  1.080
   51    55   320.000  1.462
   55    56   570.000  1.229
   55    60   214.000  1.327
   60    64   320.000  1.410
   64    65   340.000  1.090
   64    72   268.000  1.529
   64    73   268.000  1.529
   72    75   320.000  1.410
   75    76   553.000  0.945
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    81   335.000  1.422
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   370.000  1.399
   82    83   360.000  1.097
   82    84   255.000  1.525
   82    98   370.000  1.399
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   355.000  1.421
   86    87   340.000  1.090
   86    90   268.000  1.529
   86    92   355.000  1.421
   90    91   340.000  1.090
   90    94   268.000  1.529
   90    96   355.000  1.421
   94    95   340.000  1.090
   94    98   335.000  1.422
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   355.000  1.421
  102   103   580.000  0.967
   96    97   580.000  0.967
   92    93   580.000  0.967
   88    89   580.000  0.967
   45    46   340.000  1.088
   45    53   260.000  1.509
   45    59   335.000  1.432
   53    54   340.000  1.088
   53    57   275.000  1.510
   53    59   335.000  1.432
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    62   320.000  1.410
   61    66   317.000  1.522
   61    68   268.000  1.529
   66    67   570.000  1.229
   66    42   214.000  1.327
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    75.00000  111.63000
   29    33    72    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    72    44    70.00000  112.02700
   33    72    64    58.35000  112.70000
   33    72    75    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    61    58.35000  112.70000
   38    42    66    83.00000  116.90000
   40    38    39    37.50000  110.70000
   40    43    44    70.00000  112.02700
   40    43    45    70.00000  112.37300
   40    43    47    58.35000  112.70000
   40    61    57    58.35000  112.70000
   40    61    66    63.00000  111.10000
   40    61    68    58.35000  112.70000
   43    40    41    37.50000  110.70000
   43    44    51    70.00000  124.00000
   43    44    72    65.00000  117.92700
   43    45    46    40.00000  115.04500
   43    45    53    60.00000  120.94000
   43    45    59    80.00000  116.47100
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    35.00000  120.00000
   44    51    55    65.00000  118.96000
   44    72    64    70.00000  112.02700
   44    72    75    90.00000  110.39200
   51    55    56    80.00000  123.72100
   51    55    60    90.00000  111.29400
   55    51    52    40.00000  117.72500
   55    60    64    83.00000  116.90000
   60    55    56    83.00000  123.40000
   60    64    65    35.00000  109.50000
   60    64    72    50.00000  109.50000
   60    64    73    50.00000  109.50000
   64    72    75    50.00000  109.50000
   64    73    74    37.50000  110.70000
   64    73    77    58.35000  112.70000
   64    73    81    95.00000  107.88500
   72    33    34    37.50000  110.70000
   72    33    38    58.35000  112.70000
   72    44    51    70.00000  124.00000
   72    64    65    37.50000  110.70000
   72    75    76    55.00000  108.50000
   73    64    65    37.50000  110.70000
   73    64    72    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   73    81    82    90.00000  112.10700
   77    73    74    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    73    74    55.00000  108.98800
   81    73    77    95.00000  107.88500
   81    82    83    60.00000  105.75400
   81    82    84    90.00000  109.70700
   81    82    98   110.00000  113.16000
   82    84    85    45.00000  109.54000
   82    84    86    70.00000  111.10000
   82    84    88    90.00000  109.42000
   82    98    94    90.00000  112.10700
   84    82    83    45.00000  111.65000
   84    86    87    37.50000  110.70000
   84    86    90    58.35000  112.70000
   84    86    92    90.00000  111.45300
   84    88    89    65.00000  108.53500
   86    84    85    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    94    58.35000  112.70000
   86    90    96    90.00000  111.45300
   86    92    93    65.00000  108.53500
   90    86    87    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    98    95.00000  107.88500
   90    94    99    58.35000  112.70000
   90    96    97    65.00000  108.53500
   94    90    91    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    90.00000  111.45300
   98    82    83    60.00000  105.75400
   98    82    84    90.00000  109.70700
   98    94    95    55.00000  108.98800
   99    94    95    37.50000  110.70000
   99    94    98    95.00000  107.88500
   99   102   103    65.00000  108.53500
  101    99   100    33.00000  107.80000
  102    99   100    60.00000  109.39000
  102    99   101    60.00000  109.39000
   96    90    91    60.00000  109.39000
   96    90    94    90.00000  111.45300
   92    86    87    60.00000  109.39000
   92    86    90    90.00000  111.45300
   88    84    85    60.00000  109.39000
   88    84    86    90.00000  111.45300
   45    43    44    70.00000  112.02700
   45    53    54    37.50000  117.20000
   45    53    57    60.00000  120.94000
   45    53    59    15.00000   60.43100
   45    59    53    15.00000   59.14900
   53    45    46    37.50000  117.20000
   53    57    58    45.00000  109.38400
   53    57    61    70.00000  112.37300
   53    57    62    50.00000  109.50000
   57    53    54    40.00000  115.04500
   57    61    66    63.00000  111.10000
   57    61    68    58.35000  112.70000
   57    62    63    55.00000  108.50000
   61    40    41    37.50000  110.70000
   61    40    43    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    66    67    80.00000  120.40000
   61    66    42    81.00000  111.40000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    66    67    83.00000  123.40000
   68    61    66    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    61    50.00000  109.50000
   59    45    46    50.00000  114.27700
   59    45    53    15.00000   60.43100
   59    53    54    50.00000  114.27700
   59    53    57    80.00000  116.47100
   47    43    44    70.00000  112.02700
   47    43    45    70.00000  112.37300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   45    43    44    72   0.09800  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.15000  1.0 3.0
   45    53    57    58   0.15000  1.0 3.0
   45    53    57    61   0.07850  1.0 1.0
   45    53    57    61  -0.03950 -1.0 2.0
   45    53    57    61   0.67350  1.0 3.0
   45    53    57    62   0.86500  1.0 1.0
   45    53    57    62  -0.17500 -1.0 2.0
   45    53    57    62   0.20800  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    57   0.15000  1.0 3.0
   46    45   -53    59   0.23400  1.0 3.0
   46    45   -59    53   0.36800  1.0 3.0
   53    57   -61    40   0.47050  1.0 1.0
   53    57   -61    40   0.03900 -1.0 2.0
   53    57   -61    40   0.20100  1.0 3.0
   53    57    61    66  -0.95700  1.0 1.0
   53    57    61    66  -0.18200 -1.0 2.0
   53    57    61    66   0.29450  1.0 3.0
   53    57    61    68   0.47050  1.0 1.0
   53    57    61    68   0.03900 -1.0 2.0
   53    57    61    68   0.20100  1.0 3.0
   53    57    62    63  -0.11600  1.0 1.0
   53    57    62    63  -0.09450 -1.0 2.0
   53    57    62    63   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    57    62   0.23400  1.0 3.0
   54    53   -59    45   0.36800  1.0 3.0
   57    53   -59    45   0.06250  1.0 1.0
   57    53   -59    45  -0.01100 -1.0 2.0
   57    53   -59    45   0.28050  1.0 3.0
   57    61    66    67   0.30150 -1.0 2.0
   57    61    66    42   0.36750  1.0 3.0
   57    61    68    69   0.15000  1.0 3.0
   57    61    68    70   0.15000  1.0 3.0
   57    61    68    71   0.15000  1.0 3.0
   58    57    61    40   0.15000  1.0 3.0
   58    57    61    66  -0.11250  1.0 3.0
   58    57    61    68   0.15000  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   61    40    43    44   0.34400  1.0 1.0
   61    40    43    44   0.09450 -1.0 2.0
   61    40    43    44   0.11100  1.0 3.0
   61    40   -43    45   0.47050  1.0 1.0
   61    40   -43    45   0.03900 -1.0 2.0
   61    40   -43    45   0.20100  1.0 3.0
   61    40    43    47   0.56750  1.0 1.0
   61    40    43    47  -0.07550 -1.0 2.0
   61    40    43    47   0.20000  1.0 3.0
   61    57    62    63  -0.11600  1.0 1.0
   61    57    62    63  -0.09450 -1.0 2.0
   61    57    62    63   0.21250  1.0 3.0
   61    66   -42    38   1.63150  1.0 1.0
   61    66   -42    38   2.92000 -1.0 2.0
   66    61    68    69  -0.11250  1.0 3.0
   66    61    68    70  -0.11250  1.0 3.0
   66    61    68    71  -0.11250  1.0 3.0
   67    66    42    38   3.00000 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38   -40    61   0.62750  1.0 1.0
   42    38   -40    61  -0.30950 -1.0 2.0
   42    38   -40    61   0.27300  1.0 3.0
   68    61    66    67   0.30150 -1.0 2.0
   68    61    66    42   0.36750  1.0 3.0
   62    57    61    40   0.86500  1.0 1.0
   62    57    61    40  -0.17500 -1.0 2.0
   62    57    61    40   0.20800  1.0 3.0
   62    57    61    66  -0.09450  1.0 1.0
   62    57    61    66  -1.12950 -1.0 2.0
   62    57    61    66   0.54000  1.0 3.0
   62    57    61    68   0.86500  1.0 1.0
   62    57    61    68  -0.17500 -1.0 2.0
   62    57    61    68   0.20800  1.0 3.0
   59    45   -53    54   0.23400  1.0 3.0
   59    45   -53    57   0.02550  1.0 1.0
   59    45   -53    57  -0.02600 -1.0 2.0
   59    45   -53    57   1.20400  1.0 3.0
   59    53    57    58   0.23400  1.0 3.0
   59    53    57    61   0.02550  1.0 1.0
   59    53    57    61  -0.02600 -1.0 2.0
   59    53    57    61   1.20400  1.0 3.0
   59    53    57    62   3.69350  1.0 1.0
   59    53    57    62  -1.82950 -1.0 2.0
   47    43    44    51   0.09850  1.0 1.0
   47    43    44    51   0.15250 -1.0 2.0
   47    43    44    51  -0.50650  1.0 3.0
   47    43    44    72   0.46850  1.0 1.0
   47    43    44    72   0.08550 -1.0 2.0
   47    43    44    72   0.09800  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    53   0.07850  1.0 1.0
   47    43    45    53  -0.03950 -1.0 2.0
   47    43    45    53   0.67350  1.0 3.0
   47    43    45    59   0.02550  1.0 1.0
   47    43    45    59  -0.02600 -1.0 2.0
   47    43    45    59   1.20400  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
   43    72    44    51   1.10000 -1.0 2.0
   55    52    51    44   1.10000 -1.0 2.0
   51    60    55    56  10.50000 -1.0 2.0
   61    42    66    67  10.50000 -1.0 2.0
END
