* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    197    320     595
    1     0 S   NP   _N1_     1    28.83238    93.82650   -20.52832
    2     1 S   H    _HN1     2     1.02838    28.86313   137.54325
    3     1 S   H    _H1_     3     1.02777    85.21192   -80.26277
    4     1 S   H    _H2_     4     1.02956    98.61690    27.54918
    5     1 S   CT   _CA1     5     1.50137   137.90803   161.53270
    6     5 S   HC   _HA1     6     1.09577   105.24101    47.31231
    7     5 S   CO3  _C1_     7     1.53836   112.06172   -72.85892
    8     7 S   O2Z  _O11     8     1.26372   115.00702   -50.06125
    9     7 S   O2Z  _O12     9     1.26233   114.83170   128.68028
   10     5 S   CT   _CB1    10     1.53051   107.38205   165.09638
   11    10 S   HC   HB11    11     1.09826   109.42806   -50.36481
   12    10 S   HC   HB12    12     1.09824   110.41459    66.18562
   13    10 S   CT   _CG1    13     1.53018   112.65127  -171.43826
   14    13 S   HC   HG11    14     1.09551   110.38215   -60.58698
   15    13 S   HC   HG12    15     1.09627   110.13726    58.63022
   16    13 S   C    _CD1    16     1.51803   112.00921   178.86082
   17    16 S   O    _OE1    17     1.22753   123.13620    -8.28271
   18    16 S   N    _N2_    18     1.38624   111.84250   172.01881
   19    18 S   H    _HN2    19     1.01592   119.08104     1.59532
   20    18 S   CT1  _CA2    20     1.46312   123.20184  -177.25883
   21    20 S   HC   _HA2    21     1.09733   109.36153   -12.15229
   22    20 S   C    _C2_    22     1.53373   108.58539  -127.99434
   23    22 S   O    _O2_    23     1.23019   122.17385  -146.60328
   24    20 S   CT   _CB2    32     1.53589   111.28705   109.73332
   25    24 S   HC   HB21    33     1.09244   109.12124    59.41003
   26    24 S   HC   HB22    34     1.09523   110.30070   177.22851
   27    22 S   N    _N3_    24     1.38487   113.39959    40.77239
   28    27 S   H    _HN3    25     1.01530   118.88769    -0.72064
   29    24 S   S    _SG2    35     1.83057   111.09453   -63.85966
   30    27 S   CT   _CA3    26     1.45452   123.50856   175.14288
   31    30 S   HC   HA31    27     1.09519   109.30944    22.92676
   32    30 S   HC   HA32    28     1.09498   107.10432   139.93814
   33    29 S   CT   _C23    36     1.90613   103.31101   149.22048
   34    30 S   CO3  _C3_    29     1.52920   113.06461  -100.60315
   35    34 S   O2Z  _O31    30     1.26405   115.38248   -45.01628
   36    34 S   O2Z  _O32    31     1.26351   114.99937   135.91171
   37    33 S   CT   _C10    37     1.54685   105.68351   -68.97574
   38    37 S   HC   _H38    38     1.09505   111.48964   170.13122
   39    37 S   HC   _H39    39     1.09402   111.98359    52.53034
   40    33 S   CT   _C12    54     1.54154   109.22086    51.29804
   41    40 S   HC   _H42    55     1.09555   111.58896   -58.57840
   42    40 S   HC   _H43    56     1.09716   109.80449  -173.86694
   43    37 S   CO4  _C6_    40     1.51990   112.46134   -68.73287
   44    43 S   O    _O26    41     1.23004   121.21535   159.94088
   45    43 S   CM   _C4_    42     1.48559   119.25536   -21.61462
   46    45 S   HC   _H36    43     1.08410   117.52057   175.67958
   47    45 S   CM   _C5_    44     1.34096   120.83931    -5.59748
   48    47 S   HC   _H37    45     1.08567   117.39473  -177.48254
   49    33 S   CT   _C19    46     1.60262   111.74076   171.92309
   50    49 S   CT   _C22    47     1.59357   110.14078   -63.35720
   51    50 S   F    _F34    48     1.37902   107.04661    60.89851
   52    49 S   CT   _C26    98     1.56227   111.04731   174.70117
   53    52 S   HC   _H58    99     1.09233   112.95380    71.44471
   54    52 S   HC   _H59   100     1.09383   112.92895   -49.72464
   55    52 S   HC   _H60   101     1.09459   111.91618  -166.81111
   56    50 S   CT   _C15    49     1.56663   111.12215   -54.79683
   57    56 S   HC   _H48    50     1.09427   109.34238   -67.21607
   58    50 S   CT   _C18    69     1.56014   117.03807   176.06637
   59    58 S   HC   _H51    70     1.09554   108.63703   -62.42543
   60    56 S   CT   _C11    51     1.53870   112.74556    51.15650
   61    60 S   HC   _H40    52     1.09713   109.35396  -171.13922
   62    60 S   HC   _H41    53     1.09613   110.02128    73.09855
   63    56 S   CT   _C16    57     1.53901   108.65177   174.09738
   64    63 S   HC   _H49    58     1.10227   105.84672   -57.76259
   65    58 S   OH   _O30    71     1.41821   112.67549    55.77551
   66    65 S   HO   _H66    72     0.97252   107.87090  -175.36468
   67    63 S   CT   _C13    59     1.52678   118.73051  -175.53274
   68    67 S   HC   _H44    60     1.09615   110.40488   -41.98521
   69    67 S   HC   _H45    61     1.09481   111.53002    78.04403
   70    67 S   CT   _C17    62     1.54457   104.47063  -160.01220
   71    70 S   HC   _H50    63     1.09726   108.76973   124.01165
   72    70 S   CT   _C20    64     1.56435   106.40554     4.18844
   73    70 S   OS   _O34    91     1.43892   111.67565  -115.64604
   74    63 S   CT   _C21    65     1.55114   113.82101    61.09634
   75    72 S   CO4  _C7_    77     1.53726   112.20998   150.30408
   76    75 S   O    _O27    78     1.23292   121.49255    -1.85361
   77    72 S   OH   _O33    89     1.42839   109.45583   -92.24379
   78    77 S   HO   _H67    90     0.97370   107.49390   -46.48717
   79    73 S   CO4  _C8_    92     1.36324   116.73786   -77.08282
   80    79 S   O    _O28    93     1.22315   126.37760     0.50319
   81    74 S   CT   _C14    66     1.54659   106.62676   -60.52907
   82    81 S   HC   _H46    67     1.09692   109.96347   -65.98821
   83    81 S   HC   _H47    68     1.09465   109.88908   176.94700
   84    74 S   CT   _C27    73     1.55172   113.45573    61.66872
   85    84 S   HC   _H61    74     1.09434   112.76079    67.51748
   86    84 S   HC   _H62    75     1.09127   113.25122   -52.69800
   87    84 S   HC   _H63    76     1.09554   110.64080  -172.92962
   88    75 S   CT   _C28    79     1.51985   117.66719   177.88372
   89    88 S   HC   _H64    80     1.09267   108.71948    76.56634
   90    88 S   HC   _H65    81     1.09367   109.72390   -45.53597
   91    79 S   CT   _C24    94     1.49828   109.49459  -179.68410
   92    91 S   HC   _H52    95     1.09287   109.81530   -61.46430
   93    91 S   HC   _H53    96     1.09377   109.36469   179.45607
   94    91 S   HC   _H54    97     1.09291   109.83280    60.43884
   95    88 S   OS   _O35    82     1.43044   108.61308  -164.78462
   96    95 S   CO4  _C9_    83     1.36260   115.22245  -178.08971
   97    96 S   O    _O29    84     1.22340   126.17882    -0.01978
   98    96 S   CT   _C25    85     1.49832   109.63654   180.00000
   99    98 S   HC   _H55    86     1.09289   109.83401   -60.96067
  100    98 S   HC   _H56    87     1.09380   109.35669   180.00000
  101    98 S   HC   _H57    88     1.09289   109.83519    60.95628
  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  12   6   5  14   6  18   9  12  10   5   4   1   5   4
   6   2   1   3   2   1   1   6   3   2   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    74    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    74    81    58    59    65    84  
   60    61    62    63    64    67    74    58  
   59    65    66    84    60    63    72    74    81    82    83  
   65    66    74    81    82    83  
   61    62    63    64    67    74  
   62    63  
   63  
   64    67    68    69    70    71    72    74    81    82    83    84    85    86    87    75    77    73  
   67    68    69    70    72    74    81    84  
   66    74    81    82    83  
   81  
   68    69    70    71    72    74    81    84    75    77    73    79  
   69    70    71    72    74    73  
   70    71    72    74    73  
   71    72    74    81    84    75    76    88    77    78    73    79    80    91  
   72    74    75    77    73    79  
   74    81    82    83    84    85    86    87    75    76    88    89    90    95    77    78    73    79  
   79    80    91    92    93    94    74    75    77  
   81    82    83    84    85    86    87    75    76    88    77    78  
   76    88    89    90    95    96    77    78    81    84  
   88    89    90    95    77  
   78    81    84    88  
    0  
   80    91    92    93    94  
   91    92    93    94  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90    95    96    97    98  
   90    95    96  
   95    96  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   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   1.8380   1.6250   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    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   367.000  1.332
   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    74   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   320.000  1.410
   72    74   268.000  1.529
   72    75   317.000  1.522
   72    77   320.000  1.410
   74    81   268.000  1.529
   74    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
   75    76   570.000  1.229
   75    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   320.000  1.410
   95    96   214.000  1.327
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   77    78   553.000  0.945
   73    79   214.000  1.327
   79    80   570.000  1.229
   79    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   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    50.00000  109.50000
   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    50.00000  109.50000
   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    74    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    74    72    58.35000  112.70000
   63    74    81    58.35000  112.70000
   63    74    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    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    74    58.35000  112.70000
   70    72    75    63.00000  111.10000
   70    72    77    50.00000  109.50000
   70    73    79    83.00000  116.90000
   72    70    71    37.50000  110.70000
   72    74    81    58.35000  112.70000
   72    74    84    58.35000  112.70000
   72    75    76    80.00000  120.40000
   72    75    88    70.00000  116.00000
   72    77    78    55.00000  108.50000
   74    63    64    37.50000  110.70000
   74    63    67    58.35000  112.70000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    58    58.35000  112.70000
   74    84    85    37.50000  110.70000
   74    84    86    37.50000  110.70000
   74    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    50.00000  109.50000
   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    74    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
   75    72    74    63.00000  111.10000
   75    88    89    35.00000  109.50000
   75    88    90    35.00000  109.50000
   75    88    95    90.00000  108.74100
   88    75    76    80.00000  120.40000
   88    95    96    83.00000  116.90000
   90    88    89    33.00000  107.80000
   95    88    89    35.00000  109.50000
   95    88    90    35.00000  109.50000
   95    96    97    83.00000  123.40000
   95    96    98    81.00000  111.40000
   96    98    99    35.00000  109.50000
   96    98   100    35.00000  109.50000
   96    98   101    35.00000  109.50000
   98    96    97    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   77    72    74    50.00000  109.50000
   77    72    75    90.00000  109.61100
   73    70    71    35.00000  109.50000
   73    70    72    50.00000  109.50000
   73    79    80    83.00000  123.40000
   73    79    91    81.00000  111.40000
   79    91    92    35.00000  109.50000
   79    91    93    35.00000  109.50000
   79    91    94    35.00000  109.50000
   91    79    80    80.00000  120.40000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    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
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
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   75    72    77    78   0.57950  1.0 3.0
   75    88    95    96  -1.80650  1.0 1.0
   75    88    95    96   0.63900 -1.0 2.0
   75    88    95    96   0.03650  1.0 3.0
   76    75    88    89   0.00000  1.0 1.0
   76    75    88    90   0.00000  1.0 1.0
   76    75    88    95   0.30150 -1.0 2.0
   88    95    96    97   3.00000 -1.0 2.0
   88    95    96    98   1.63150  1.0 1.0
   88    95    96    98   2.92000 -1.0 2.0
   89    88    95    96   0.08050  1.0 3.0
   90    88    95    96   0.08050  1.0 3.0
   95    96    98    99   0.00000  1.0 1.0
   95    96    98   100   0.00000  1.0 1.0
   95    96    98   101   0.00000  1.0 1.0
   97    96    98    99   0.00000  1.0 1.0
   97    96    98   100   0.00000  1.0 1.0
   97    96    98   101   0.00000  1.0 1.0
   77    72    74    63   0.86500  1.0 1.0
   77    72    74    63  -0.17500 -1.0 2.0
   77    72    74    63   0.20800  1.0 3.0
   77    72    74    81   0.86500  1.0 1.0
   77    72    74    81  -0.17500 -1.0 2.0
   77    72    74    81   0.20800  1.0 3.0
   77    72    74    84   0.86500  1.0 1.0
   77    72    74    84  -0.17500 -1.0 2.0
   77    72    74    84   0.20800  1.0 3.0
   77    72    75    76   0.30150 -1.0 2.0
   77    72    75    88   0.55300  1.0 1.0
   77    72    75    88   1.25850 -1.0 2.0
   77    72    75    88  -0.23600  1.0 3.0
   73    70    72    74   0.62750  1.0 1.0
   73    70    72    74  -0.30950 -1.0 2.0
   73    70    72    74   0.27300  1.0 3.0
   73    70    72    75  -0.09450  1.0 1.0
   73    70    72    75  -1.12950 -1.0 2.0
   73    70    72    75   0.54000  1.0 3.0
   73    70    72    77   3.69350  1.0 1.0
   73    70    72    77  -1.82950 -1.0 2.0
   73    79    91    92   0.00000  1.0 1.0
   73    79    91    93   0.00000  1.0 1.0
   73    79    91    94   0.00000  1.0 1.0
   80    79    91    92   0.00000  1.0 1.0
   80    79    91    93   0.00000  1.0 1.0
   80    79    91    94   0.00000  1.0 1.0
   52    49    50    51   0.39650  1.0 1.0
   52    49    50    51  -0.18350 -1.0 2.0
   52    49    50    51   0.41450  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    75    76  10.50000 -1.0 2.0
   95    98    96    97  10.50000 -1.0 2.0
   73    91    79    80  10.50000 -1.0 2.0
END
