* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    207    322     611
    1     0 S   NP   _N1_     1    28.77750    98.75697   -18.79588
    2     1 S   H    _HN1     2     1.02839    57.32142   137.48797
    3     1 S   H    _H1_     3     1.02779    77.28034  -101.28614
    4     1 S   H    _H2_     4     1.02958    72.49351    12.83978
    5     1 S   CT   _CA1     5     1.50091   167.46557   118.37467
    6     5 S   HC   _HA1     6     1.09571   105.30382    76.44558
    7     5 S   CO3  _C1_     7     1.53850   112.23594   -43.88995
    8     7 S   O2Z  _O11     8     1.26352   115.01870   -47.85907
    9     7 S   O2Z  _O12     9     1.26230   114.92153   131.34105
   10     5 S   CT   _CB1    10     1.53092   107.43498  -165.61287
   11    10 S   HC   HB11    11     1.09817   109.56246   -50.63817
   12    10 S   HC   HB12    12     1.09816   110.34354    65.94957
   13    10 S   CT   _CG1    13     1.52966   112.51088  -171.70497
   14    13 S   HC   HG11    14     1.09494   110.33318   -58.93130
   15    13 S   HC   HG12    15     1.09625   110.12218    60.19035
   16    13 S   C    _CD1    16     1.51747   112.28691  -179.30903
   17    16 S   O    _OE1    17     1.22736   123.20112    -8.88551
   18    16 S   N    _N2_    18     1.38457   111.61250   171.14284
   19    18 S   H    _HN2    19     1.01600   119.13599     5.33902
   20    18 S   CT1  _CA2    20     1.45935   123.26657  -179.84805
   21    20 S   HC   _HA2    21     1.09710   109.28994    11.78235
   22    20 S   C    _C2_    22     1.52795   106.76401  -105.39567
   23    22 S   O    _O2_    23     1.23000   122.93529   -27.93267
   24    20 S   CT   _CB2    32     1.53358   111.65387   134.73134
   25    24 S   HC   HB21    33     1.09209   109.11675    55.57621
   26    24 S   HC   HB22    34     1.09394   109.79641   173.96704
   27    22 S   N    _N3_    24     1.38482   112.70844   154.59233
   28    27 S   H    _HN3    25     1.01665   120.38391    -1.09967
   29    24 S   S    _SG2    35     1.82979   109.92924   -66.10652
   30    27 S   CT   _CA3    26     1.45361   122.35067   178.77699
   31    30 S   HC   HA31    27     1.09570   107.52073   -61.91975
   32    30 S   HC   HA32    28     1.09572   107.85888    54.35651
   33    29 S   CT   _C21    36     1.91065   103.67416   166.28188
   34    30 S   CO3  _C3_    29     1.52869   114.48719   176.33019
   35    34 S   O2Z  _O31    30     1.26313   116.12850    -1.30955
   36    34 S   O2Z  _O32    31     1.26462   114.38030   178.76172
   37    33 S   CT   _C20    37     1.58339   106.07484   -63.74858
   38    37 S   HC   _H9_    38     1.09459   109.61819    66.52763
   39    33 S   CT   _C22   103     1.61919   108.39959    49.71855
   40    39 S   OM   _O35   104     1.32388   112.24079    53.87031
   41    39 S   HC   _H26   105     1.10295   105.20864   -72.90426
   42    39 S   HC   _H27   106     1.09645   106.84680  -177.14720
   43    37 S   CT   _C19    39     1.53126   113.18633  -175.30043
   44    43 S   HC   _H24    40     1.09594   109.93091   -70.80083
   45    43 S   HC   _H25    41     1.09746   109.40399   173.03973
   46    37 S   OS   _O36    96     1.44683   111.29226   -53.98135
   47    43 S   CT   _C18    42     1.52554   114.16209    51.94110
   48    47 S   HC   _H22    43     1.09365   109.36470    71.25535
   49    47 S   HC   _H23    44     1.09192   106.32528  -176.34602
   50    46 S   CO4  _C23    97     1.36067   118.84176   138.03797
   51    50 S   O    _O37    98     1.22291   126.67218    -0.40397
   52    47 S   CT   _C9_    45     1.55355   113.01316   -53.24616
   53    52 S   HC   _H5_    46     1.09570   105.90600   -54.96642
   54    50 S   CT   _C24    99     1.49851   109.30144   178.96071
   55    54 S   HC   _H28   100     1.09263   109.75088   -67.20762
   56    54 S   HC   _H29   101     1.09362   109.34413   173.31945
   57    54 S   HC   _H30   102     1.09270   109.95160    54.55269
   58    52 S   CT   _C10    47     1.61498   113.59583  -165.91016
   59    58 S   CT   _C5_    48     1.58026   108.25833  -175.25521
   60    59 S   HC   _H3_    49     1.09876   107.69011   -66.69519
   61    58 S   CT   _C12    77     1.59350   107.42956    66.15272
   62    61 S   HC   _H6_    78     1.09180   109.19249   -36.91662
   63    58 S   CT   _C11    92     1.54560   111.66012   -51.46591
   64    63 S   HC   _H15    93     1.09428   112.01280   174.91315
   65    63 S   HC   _H16    94     1.09429   111.67945    55.94776
   66    63 S   HC   _H17    95     1.08699   113.41582   -66.44007
   67    59 S   CT   _C6_    50     1.53139   113.43895    48.97538
   68    67 S   HC   _H13    51     1.09410   111.82341    66.26451
   69    67 S   HC   _H14    52     1.09838   108.99883  -179.57525
   70    59 S   CT   _C4_    73     1.53406   116.12674   175.31671
   71    70 S   HC   _H10    74     1.09312   112.37414   -55.56525
   72    70 S   HC   _H11    75     1.09651   110.67571  -175.20315
   73    70 S   HC   _H12    76     1.09145   111.44512    67.65163
   74    61 S   CT   _C13    79     1.52823   119.35857  -158.03044
   75    74 S   HC   _H18    80     1.09536   112.12247    79.19508
   76    74 S   HC   _H19    81     1.09065   112.32008   -41.63124
   77    61 S   OS   _O34    91     1.43884   111.53824    78.64235
   78    67 S   CT   _C7_    53     1.53325   111.29218   -60.43375
   79    78 S   HC   _H4_    54     1.09163   106.04964   -57.47219
   80    74 S   CT   _C14    82     1.51395   103.51981  -158.52556
   81    80 S   HC   _H7_    83     1.09487   112.42325   147.86807
   82    33 S   CT   _C8_    55     1.67815   112.69766   177.73333
   83    78 S   OS   _O40    66     1.44350   108.02938  -174.50524
   84    80 S   CM   _C15    84     1.48437   115.73913   -84.83287
   85    84 S   HC   _H20    85     1.07892   125.79461   -63.05926
   86    82 S   CT   _C25    56     1.58721   112.13255    54.60625
   87    86 S   HC   _H31    57     1.08607   110.71546  -174.56318
   88    86 S   HC   _H32    58     1.08946   112.26756    67.54242
   89    83 S   CO4  _C28    67     1.36189   118.38307    82.19978
   90    89 S   O    _O41    68     1.22320   126.72724    -2.41589
   91    84 S   CM   _C16    86     1.32681   108.47237   119.34300
   92    91 S   HC   _H21    87     1.07554   128.50971   177.65498
   93    86 S   OS   _O38    59     1.43548   114.25244   -56.35310
   94    89 S   CT   _C29    69     1.49875   109.32457   177.70620
   95    94 S   HC   _H36    70     1.09256   109.87192   -65.71849
   96    94 S   HC   _H37    71     1.09377   109.34506   175.00103
   97    94 S   HC   _H38    72     1.09312   109.88899    56.19999
   98    91 S   OS   _O33    88     1.37668   116.46871    -1.49122
   99    93 S   CO4  _C26    60     1.36179   116.39964   174.35767
  100    99 S   O    _O39    61     1.22334   126.28313     1.69477
  101    80 S   CO   _C17    89     1.53027   104.19879    25.33807
  102   101 S   HC   _H8_    90     1.09529   112.24206   108.67274
  103    99 S   CT   _C27    62     1.49830   109.51174  -177.40844
  104   103 S   HC   _H33    63     1.09318   109.95463   -53.52691
  105   103 S   HC   _H34    64     1.09358   109.36934  -172.25225
  106   103 S   HC   _H35    65     1.09243   109.69622    68.29628
  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
  24   2   1   1  19   8   9   3   2   1  11   6   5   8  11   5
   4   5   4  22   7   3   2   1   1  24  20  10  18   7   8   2
   1   1  12   6   5   4   2   1   1  11   6   5   7  10   4   8
   6   7   7   6   4   6   3   2   5   4   4   2   6   3   2   1
   1   2   5   4   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    82    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    78    82    86    46    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    52    53    58    67    78    79    82    86    87    88    93    83    46    50    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    48    49    52    78    82    86    46    50    51    54    39    40    41    42  
   43    44    45    47    82    46    50    39  
   40    41    42    43    46    52    78    82    86  
   41    42    82  
   42    82  
   82  
   44    45    47    48    49    52    53    58    82    46    50  
   45    47    48    49    52    46  
   47    48    49    52    46  
   50    51    54    55    56    57    47    82  
   48    49    52    53    58    59    78    82    86    61    63  
   49    52    53    58    82  
   52    53    58    82  
   51    54    55    56    57  
   54    55    56    57  
   53    58    59    60    67    78    79    82    86    87    88    93    83    70    61    62    74    77    63    64    65    66  
   58    59    78    82    86    61    63  
   55    56    57  
   56    57  
   57  
    0  
   59    60    67    68    69    78    82    86    70    71    72    73    61    62    74    75    76    80   101    77    63    64    65    66  
   60    67    68    69    78    79    82    83    70    71    72    73    61    62    74    77    63    64    65    66  
   67    68    69    78    70    71    72    73    61    63  
   62    74    75    76    80    81    84    98   101   102    77    63    64    65    66    67    70    82  
   74    75    76    80   101    77    63  
   64    65    66    67    70    74    77    82  
   65    66  
   66  
    0  
   68    69    78    79    82    86    83    89    70    71    72    73  
   69    78    79    82    83    70  
   78    79    82    83    70  
   71    72    73    78  
   72    73  
   73  
    0  
   75    76    80    81    84    85    91    98   101   102    77  
   76    80    81    84   101    77  
   80    81    84   101    77  
   80    81    84    91    98   101   102  
   79    82    86    87    88    93    83    89    90    94  
   82    86    83    89  
   81    84    85    91    92    98   101   102  
   84    85    91    98   101   102  
   86    87    88    93    99    83    89  
   89    90    94    95    96    97    86  
   85    91    92    98   101   102  
   91    92    98   101  
   87    88    93    99   100   103  
   88    93    99  
   93    99  
   90    94    95    96    97  
   94    95    96    97  
   92    98   101   102  
   98   101  
   99   100   103   104   105   106  
   95    96    97  
   96    97  
   97  
    0  
  101   102  
  100   103   104   105   106  
  103   104   105   106  
  102  
    0  
  104   105   106  
  105   106  
  106  
    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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   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    82   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    82   268.000  1.529
   58    59   268.000  1.529
   58    61   268.000  1.529
   58    63   268.000  1.529
   59    60   340.000  1.090
   59    67   268.000  1.529
   59    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    78   268.000  1.529
   78    79   340.000  1.090
   78    82   268.000  1.529
   78    83   320.000  1.410
   82    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   320.000  1.410
   93    99   214.000  1.327
   99   100   570.000  1.229
   99   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   83    89   214.000  1.327
   89    90   570.000  1.229
   89    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   61    62   340.000  1.090
   61    74   268.000  1.529
   61    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    84   317.000  1.510
   80   101   250.000  1.527
   84    85   340.000  1.080
   84    91   549.000  1.340
   91    92   340.000  1.080
   91    98   440.000  1.360
   98   101   320.000  1.380
  101   102   340.000  1.090
  101    77   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    50   214.000  1.327
   50    51   570.000  1.229
   50    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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    82    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    46    50.00000  109.50000
   33    82    52    58.35000  112.70000
   33    82    78    58.35000  112.70000
   33    82    86    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    47    58.35000  112.70000
   37    46    50    83.00000  116.90000
   43    37    38    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    58    58.35000  112.70000
   47    52    82    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    58    59    58.35000  112.70000
   52    58    61    58.35000  112.70000
   52    58    63    58.35000  112.70000
   52    82    78    58.35000  112.70000
   52    82    86    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    59    60    37.50000  110.70000
   58    59    67    58.35000  112.70000
   58    59    70    58.35000  112.70000
   58    61    62    37.50000  110.70000
   58    61    74    58.35000  112.70000
   58    61    77    50.00000  109.50000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    78    58.35000  112.70000
   59    70    71    37.50000  110.70000
   59    70    72    37.50000  110.70000
   59    70    73    37.50000  110.70000
   67    59    60    37.50000  110.70000
   67    78    79    37.50000  110.70000
   67    78    82    58.35000  112.70000
   67    78    83    50.00000  109.50000
   69    67    68    33.00000  107.80000
   78    67    68    37.50000  110.70000
   78    67    69    37.50000  110.70000
   78    82    86    58.35000  112.70000
   78    83    89    83.00000  116.90000
   82    33    37    58.35000  112.70000
   82    52    53    37.50000  110.70000
   82    52    58    58.35000  112.70000
   82    78    79    37.50000  110.70000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    93    50.00000  109.50000
   86    93    99    83.00000  116.90000
   88    86    87    33.00000  107.80000
   93    86    87    35.00000  109.50000
   93    86    88    35.00000  109.50000
   93    99   100    83.00000  123.40000
   93    99   103    81.00000  111.40000
   99   103   104    35.00000  109.50000
   99   103   105    35.00000  109.50000
   99   103   106    35.00000  109.50000
  103    99   100    80.00000  120.40000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    82    50.00000  109.50000
   83    89    90    83.00000  123.40000
   83    89    94    81.00000  111.40000
   89    94    95    35.00000  109.50000
   89    94    96    35.00000  109.50000
   89    94    97    35.00000  109.50000
   94    89    90    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   70    59    60    37.50000  110.70000
   70    59    67    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   61    58    59    58.35000  112.70000
   61    74    75    37.50000  110.70000
   61    74    76    37.50000  110.70000
   61    74    80    58.35000  112.70000
   61    77   101    60.00000  109.50000
   74    61    62    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    84    70.00000  112.02700
   74    80   101    75.00000  109.43000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    84    85    35.00000  117.00000
   80    84    91    70.00000  124.00000
   80   101    98    90.00000  108.56700
   80   101   102    45.00000  112.01100
   80   101    77    90.00000  108.56700
   84    80    81    35.00000  109.50000
   84    91    92    35.00000  120.00000
   84    91    98    80.00000  120.01400
   91    84    85    35.00000  120.00000
   91    98   101    85.00000  113.97000
   98    91    92    55.00000  109.52600
   98   101   102    35.00000  109.50000
   98   101    77    92.60000  111.55000
  101    80    81    45.00000  108.72000
  101    80    84    70.00000  112.02700
   77    61    62    35.00000  109.50000
   77    61    74    50.00000  109.50000
   77   101   102    35.00000  109.50000
   63    58    59    58.35000  112.70000
   63    58    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    43    50.00000  109.50000
   46    50    51    83.00000  123.40000
   46    50    54    81.00000  111.40000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   54    50    51    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    82    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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
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   84    80   101    77  -0.22750 -1.0 2.0
   84    80   101    77   0.15300  1.0 3.0
   84    91   -98   101  -2.26850  1.0 1.0
   84    91   -98   101   3.39050 -1.0 2.0
   85    84    91    92   7.00000 -1.0 2.0
   85    84    91    98   7.00000 -1.0 2.0
   91    98  -101    80  -0.46850  1.0 1.0
   91    98  -101    80   0.09300 -1.0 2.0
   91    98  -101    80  -0.12850  1.0 3.0
   91    98   101   102   0.08050  1.0 3.0
   91    98   101    77  -0.48150  1.0 1.0
   91    98   101    77   0.09250 -1.0 2.0
   91    98   101    77  -0.12850  1.0 3.0
   92    91    98   101   0.50000 -1.0 2.0
   98   101    77    61  -0.53350  1.0 1.0
   98   101    77    61  -0.78350 -1.0 2.0
   98   101    77    61   0.33750  1.0 3.0
  101    80    84    85   0.00000  1.0 1.0
  101    80   -84    91   0.09850  1.0 1.0
  101    80   -84    91   0.15250 -1.0 2.0
  101    80   -84    91  -0.50650  1.0 3.0
  102   101    77    61   0.37050  1.0 3.0
   77    61    74    75   0.23400  1.0 3.0
   77    61    74    76   0.23400  1.0 3.0
   77    61   -74    80   0.62750  1.0 1.0
   77    61   -74    80  -0.30950 -1.0 2.0
   77    61   -74    80   0.27300  1.0 3.0
   63    58    59    60   0.15000  1.0 3.0
   63    58    59    67   0.56750  1.0 1.0
   63    58    59    67  -0.07550 -1.0 2.0
   63    58    59    67   0.20000  1.0 3.0
   63    58    59    70   0.56750  1.0 1.0
   63    58    59    70  -0.07550 -1.0 2.0
   63    58    59    70   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    74   0.56750  1.0 1.0
   63    58    61    74  -0.07550 -1.0 2.0
   63    58    61    74   0.20000  1.0 3.0
   63    58    61    77   0.62750  1.0 1.0
   63    58    61    77  -0.30950 -1.0 2.0
   63    58    61    77   0.27300  1.0 3.0
   46    37    43    44   0.23400  1.0 3.0
   46    37    43    45   0.23400  1.0 3.0
   46    37    43    47   0.62750  1.0 1.0
   46    37    43    47  -0.30950 -1.0 2.0
   46    37    43    47   0.27300  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   51    50    54    57   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    46   0.62750  1.0 1.0
   39    33    37    46  -0.30950 -1.0 2.0
   39    33    37    46   0.27300  1.0 3.0
   39    33    82    52   0.56750  1.0 1.0
   39    33    82    52  -0.07550 -1.0 2.0
   39    33    82    52   0.20000  1.0 3.0
   39    33    82    78   0.56750  1.0 1.0
   39    33    82    78  -0.07550 -1.0 2.0
   39    33    82    78   0.20000  1.0 3.0
   39    33    82    86   0.56750  1.0 1.0
   39    33    82    86  -0.07550 -1.0 2.0
   39    33    82    86   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
   35    30    34    36  10.50000 -1.0 2.0
   93   103    99   100  10.50000 -1.0 2.0
   83    94    89    90  10.50000 -1.0 2.0
   80    85    84    91   1.10000 -1.0 2.0
   98    92    91    84   1.10000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
END
