* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    201    332     600
    1     0 S   NP   _N1_     1    28.71503    95.69326   -20.10240
    2     1 S   H    _HN1     2     1.02765    82.85228   -65.48156
    3     1 S   H    _H1_     3     1.02963    89.91188    43.06674
    4     1 S   H    _H2_     4     1.02826    37.38737   161.93276
    5     1 S   CT   _CA1     5     1.50193   147.71579   173.32300
    6     5 S   HC   _HA1     6     1.09581   105.13223    51.69764
    7     5 S   CO3  _C1_     7     1.53832   112.47389   -68.16393
    8     7 S   O2Z  _O11     8     1.26359   115.01107   -38.11021
    9     7 S   O2Z  _O12     9     1.26266   114.93139   140.72900
   10     5 S   CT   _CB1    10     1.53088   107.33580   169.46102
   11    10 S   HC   HB11    11     1.09815   109.17698   -50.55126
   12    10 S   HC   HB12    12     1.09810   110.39257    65.90174
   13    10 S   CT   _CG1    13     1.52987   112.82037  -171.76403
   14    13 S   HC   HG11    14     1.09566   110.30582   -64.63325
   15    13 S   HC   HG12    15     1.09648   110.10967    54.43513
   16    13 S   C    _CD1    16     1.51873   112.36008   174.37514
   17    16 S   O    _OE1    17     1.22729   123.24590   -11.65318
   18    16 S   N    _N2_    18     1.38602   111.66523   169.57353
   19    18 S   H    _HN2    19     1.01594   118.87661    -0.39614
   20    18 S   CT1  _CA2    20     1.46249   123.56867   179.68721
   21    20 S   HC   _HA2    21     1.09736   109.35272   -16.60209
   22    20 S   C    _C2_    22     1.53434   108.05734  -132.16447
   23    22 S   O    _O2_    23     1.23006   122.33305  -144.99189
   24    20 S   CT   _CB2    32     1.53384   111.35039   105.78308
   25    24 S   HC   HB21    33     1.09497   109.71515    52.75285
   26    24 S   HC   HB22    34     1.09504   110.74631   171.08262
   27    22 S   N    _N3_    24     1.38538   113.28622    42.34960
   28    27 S   H    _HN3    25     1.01534   118.90880    -0.53266
   29    24 S   S    _SG2    35     1.82953   111.69026   -70.12206
   30    27 S   CT   _CA3    26     1.45442   123.39426   175.10663
   31    30 S   HC   HA31    27     1.09528   109.15487    25.83927
   32    30 S   HC   HA32    28     1.09493   107.13867   142.83566
   33    29 S   CT   _C26    36     1.86229   100.30815   146.95961
   34    33 S   HC   _H8_    37     1.09639   105.01220    29.93470
   35    30 S   CO3  _C3_    29     1.52933   113.18917   -97.57777
   36    35 S   O2Z  _O31    30     1.26397   115.44629   -43.47940
   37    35 S   O2Z  _O32    31     1.26361   114.95510   137.46291
   38    33 S   CT   _C25    38     1.53610   107.84302   -80.59246
   39    38 S   HC   _H22    39     1.09146   112.57661   166.47224
   40    38 S   HC   _H23    40     1.09843   110.24065    51.99848
   41    33 S   CT   _C9_    84     1.61979   115.30366   147.32397
   42    38 S   CO4  _C24    41     1.49455   113.11693   -67.67647
   43    42 S   O    _O39    42     1.22763   121.96732   113.95215
   44    41 S   CT   _C29    85     1.54233   111.22963    25.81897
   45    44 S   HC   _H30    86     1.09231   112.53468   -76.64992
   46    44 S   HC   _H31    87     1.08746   112.86952   161.81917
   47    44 S   HC   _H32    88     1.09437   111.99563    43.83343
   48    42 S   OS   _O38    43     1.34454   116.38359   -63.15185
   49    48 S   CT   _C23    44     1.45617   127.10477   -25.37941
   50    49 S   CT   _C10    45     1.58385   115.47292    53.99720
   51    50 S   HC   _H5_    46     1.10032   106.41405   -94.61884
   52    49 S   CT   _C27    93     1.54399   107.66349   -70.33705
   53    52 S   HC   _H24    94     1.09656   110.77978   -50.58256
   54    52 S   HC   _H25    95     1.09450   111.83015  -171.43624
   55    52 S   HC   _H26    96     1.09362   111.91054    67.39742
   56    49 S   CT   _C28    97     1.54511   102.35330   178.01170
   57    56 S   HC   _H27    98     1.09767   110.51653    49.56081
   58    56 S   HC   _H28    99     1.09319   111.67153   -67.64836
   59    56 S   HC   _H29   100     1.09432   112.76208   169.41695
   60    50 S   CT   _C11    47     1.54625   110.45218   154.76150
   61    60 S   HC   _H14    48     1.09687   109.66946    56.91660
   62    60 S   HC   _H15    49     1.09201   112.59916   -61.35345
   63    60 S   CO4  _C12    50     1.51259   112.77443   176.17515
   64    63 S   O    _O33    51     1.23016   120.61448  -121.49435
   65    63 S   CT   _C13    52     1.52969   116.14489    58.85910
   66    65 S   CT   _C8_    53     1.57544   103.12106   -59.05548
   67    66 S   HC   _H4_    54     1.09520   105.04169   -52.71120
   68    65 S   CT   _C22    89     1.54944   107.41446    63.82725
   69    68 S   HC   _H19    90     1.09292   112.51950  -176.96075
   70    68 S   HC   _H20    91     1.09767   110.60511    63.55147
   71    68 S   HC   _H21    92     1.08513   114.73785   -53.53342
   72    66 S   CT   _C7_    55     1.54075   110.38164  -163.01470
   73    72 S   HC   _H3_    56     1.08936   111.45679   179.87805
   74    72 S   CT   _C6_    57     1.54375   112.76713    60.42688
   75    74 S   HC   _H12    58     1.09813   108.10825   102.54608
   76    74 S   HC   _H13    59     1.09774   107.57170  -143.59242
   77    72 S   OH   _O40    82     1.42254   110.63642   -62.28575
   78    77 S   HO   _H33    83     0.97253   107.84422  -172.72802
   79    74 S   CT   _C5_    60     1.55721   117.05689   -19.98849
   80    79 S   CT   _C17    61     1.57949   108.93230  -150.58731
   81    80 S   HC   _H7_    62     1.09957   109.91646    57.65358
   82    79 S   CT   _C4_    78     1.55247   112.54775    89.56093
   83    82 S   HC   _H9_    79     1.09592   111.34578   167.84670
   84    82 S   HC   _H10    80     1.09486   111.46538    47.65940
   85    82 S   HC   _H11    81     1.08965   114.20291   -73.52224
   86    80 S   C5BC _C18    63     1.50671   114.70458   -61.58753
   87    80 S   OS   _O36    71     1.45434   111.09553   174.05921
   88    86 S   C5BC _C19    64     1.42586   127.94003   -89.27457
   89    88 S   HA   _H16    65     1.08098   127.38023     0.86026
   90    87 S   CO4  _C16    72     1.36405   121.51343   -48.28866
   91    90 S   O    _O35    73     1.22451   122.29819  -169.48880
   92    88 S   C5A  _C20    66     1.37436   106.68483  -179.25061
   93    92 S   HA   _H17    67     1.08026   133.82850  -179.76761
   94    90 S   C3T  _C15    74     1.47724   117.26838    12.59913
   95    94 S   HC   _H6_    75     1.08352   115.07584   166.83301
   96    92 S   OA   _O37    68     1.35641   110.46431     0.54680
   97    65 S   C3T  _C14    76     1.56875   111.48681  -177.29304
   98    86 S   C5A  _C21    69     1.38206   127.10172    92.68030
   99    98 S   HA   _H18    70     1.08070   133.45462    -0.79549
  100    94 S   O3T  _O34    77     1.42708   114.54922   -53.62156
  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
  20   8   2   1   1  10   5   4  24   6   2  11   4   3   2  12
  15  18   7   8   3   2   1   4   2   1   1   8   4   3  13   4
  18  16   6   8   3   2   1  10   6  16   6   5   2   1  15  18
   7   8   3   2   1  10   8   6   4   5   4   4   2   3   2   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    50    66    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    49    50    51    60    65    66    67    72    41    44    45    46    47  
   38    39    40    42    50    66    41    44  
   36    37  
   37  
    0  
   39    40    42    43    48    49    50    66    41    44  
   40    42    43    48    41  
   42    43    48    41  
   44    45    46    47    68    52    56    42    48    49    50    51    60    61    62    63    65    66    67    72    73    74    77    97  
   43    48    49    50    52    56  
   48    49  
   45    46    47    49    50    51    60    65    66    67    72  
   46    47    50    66  
   47    50    66  
   50    66  
   49    50    51    60    52    53    54    55    56    57    58    59  
   50    51    60    61    62    63    66    52    53    54    55    56    57    58    59  
   51    60    61    62    63    64    65    66    67    72    52    53    54    55    56    57    58    59  
   60    61    62    63    66    52    56  
   53    54    55    56    57    58    59    60  
   54    55    56  
   55    56  
   56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    97    68  
   62    63    64    65  
   63    64    65  
   64    65    66    67    72    79    94    97   100    68    69    70    71  
   65    66    97    68  
   66    67    72    73    74    79    80    90    94    95    97   100    82    77    68    69    70    71  
   67    72    73    74    75    76    79    94    97   100    77    78    68    69    70    71  
   72    73    74    97    77    68  
   69    70    71    72    79    94    97   100  
   70    71    97  
   71    97  
   97  
   73    74    75    76    79    80    97    82    77    78  
   74    75    76    79    77    78  
   75    76    79    80    81    86    87    94    97   100    82    83    84    85    77    78  
   76    79    80    97    82    77  
   79    80    97    82    77  
   78    79  
    0  
   80    81    86    88    98    87    90    94    95    97   100    82    83    84    85  
   81    86    88    89    92    96    98    99    87    90    91    94    97   100    82    83    84    85  
   86    88    98    87    90    97    82  
   83    84    85    86    87    94    97   100  
   84    85    97  
   85    97  
   97  
   88    89    92    93    96    98    99    87    90    97  
   90    91    94    95    97   100    88    98  
   89    92    93    96    98    99  
   92    93    96    98  
   91    94    95    97   100  
   94    95    97   100  
   93    96    98    99  
   96    98  
   95    97   100  
   97   100  
   98    99  
  100  
   99  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   97   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   98   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  100   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    48   214.000  1.327
   48    49   320.000  1.410
   49    50   268.000  1.529
   49    52   268.000  1.529
   49    56   268.000  1.529
   50    51   340.000  1.090
   50    60   268.000  1.529
   50    41   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.522
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   268.000  1.529
   65    97   275.000  1.510
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    41   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   268.000  1.529
   79    97   275.000  1.510
   79    82   268.000  1.529
   80    81   340.000  1.090
   80    86   285.000  1.502
   80    87   320.000  1.410
   86    88   469.000  1.424
   86    98   546.000  1.367
   88    89   367.000  1.080
   88    92   546.000  1.367
   92    93   367.000  1.080
   92    96   340.000  1.360
   96    98   340.000  1.360
   98    99   367.000  1.080
   87    90   214.000  1.327
   90    91   570.000  1.229
   90    94   290.000  1.496
   94    95   340.000  1.088
   94    97   260.000  1.509
   94   100   335.000  1.432
   97   100   335.000  1.432
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   553.000  0.945
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    50    58.35000  112.70000
   33    41    66    58.35000  112.70000
   33    41    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    48    81.00000  111.40000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    48    49    83.00000  116.90000
   48    42    43    83.00000  123.40000
   48    49    50    50.00000  109.50000
   48    49    52    50.00000  109.50000
   48    49    56    50.00000  109.50000
   49    50    51    37.50000  110.70000
   49    50    60    58.35000  112.70000
   49    50    41    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
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    63    63.00000  111.10000
   50    41    66    58.35000  112.70000
   50    41    44    58.35000  112.70000
   60    50    51    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    65    70.00000  116.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    63.00000  111.10000
   63    65    97    63.00000  111.10000
   63    65    68    63.00000  111.10000
   65    63    64    80.00000  120.40000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    41    58.35000  112.70000
   65    97    79    58.35000  112.70000
   65    97    94    60.00000  120.94000
   65    97   100    80.00000  116.47100
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    58.35000  112.70000
   66    72    77    50.00000  109.50000
   66    41    44    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    79    58.35000  112.70000
   72    77    78    55.00000  108.50000
   74    72    73    37.50000  110.70000
   74    79    80    58.35000  112.70000
   74    79    97    70.00000  112.37300
   74    79    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    80    81    37.50000  110.70000
   79    80    86    70.00000  112.17500
   79    80    87    50.00000  109.50000
   79    97    94    60.00000  120.94000
   79    97   100    80.00000  116.47100
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    37.50000  110.70000
   80    86    88    60.00000  130.00000
   80    86    98    60.00000  130.00000
   80    87    90    83.00000  116.90000
   86    80    81    35.00000  109.50000
   86    88    89    35.00000  127.50000
   86    88    92    70.00000  107.30000
   86    98    96    70.00000  110.60000
   86    98    99    35.00000  132.10000
   88    92    93    35.00000  132.10000
   88    92    96    70.00000  110.60000
   92    88    89    35.00000  125.70000
   92    96    98    70.00000  106.50000
   96    92    93    35.00000  113.40000
   96    98    99    35.00000  113.40000
   98    86    88    70.00000  107.30000
   87    80    81    35.00000  109.50000
   87    80    86    85.00000  111.85700
   87    90    91    83.00000  123.40000
   87    90    94    81.00000  111.40000
   90    94    95    40.00000  116.18000
   90    94    97    65.00000  117.18000
   90    94   100    80.00000  114.91000
   94    90    91    75.00000  121.36600
   94    97   100    15.00000   60.43100
   94   100    97    15.00000   59.14900
   97    65    66    70.00000  112.37300
   97    79    80    70.00000  112.37300
   97    94    95    37.50000  117.20000
  100    94    95    50.00000  114.27700
  100    94    97    15.00000   60.43100
   82    79    80    58.35000  112.70000
   82    79    97    70.00000  112.37300
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    50.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    50    51    37.50000  110.70000
   41    50    60    58.35000  112.70000
   41    66    67    37.50000  110.70000
   41    66    72    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   68    65    66    58.35000  112.70000
   68    65    97    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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
   56    49    50    58.35000  112.70000
   56    49    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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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   77    72    74    75   0.23400  1.0 3.0
   77    72    74    76   0.23400  1.0 3.0
   77    72    74    79   0.86500  1.0 1.0
   77    72    74    79  -0.17500 -1.0 2.0
   77    72    74    79   0.20800  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42  -0.95700  1.0 1.0
   41    33    38    42  -0.18200 -1.0 2.0
   41    33    38    42   0.29450  1.0 3.0
   41    50    60    61   0.15000  1.0 3.0
   41    50    60    62   0.15000  1.0 3.0
   41    50   -60    63  -0.95700  1.0 1.0
   41    50   -60    63  -0.18200 -1.0 2.0
   41    50   -60    63   0.29450  1.0 3.0
   41    66    72    73   0.15000  1.0 3.0
   41    66    72    74   0.56750  1.0 1.0
   41    66    72    74  -0.07550 -1.0 2.0
   41    66    72    74   0.20000  1.0 3.0
   41    66    72    77   0.86500  1.0 1.0
   41    66    72    77  -0.17500 -1.0 2.0
   41    66    72    77   0.20800  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65    66    41   0.56750  1.0 1.0
   68    65    66    41  -0.07550 -1.0 2.0
   68    65    66    41   0.20000  1.0 3.0
   68    65    97    79   0.56750  1.0 1.0
   68    65    97    79  -0.07550 -1.0 2.0
   68    65    97    79   0.20000  1.0 3.0
   68    65    97    94   0.07850  1.0 1.0
   68    65    97    94  -0.03950 -1.0 2.0
   68    65    97    94   0.67350  1.0 3.0
   68    65    97   100   0.02550  1.0 1.0
   68    65    97   100  -0.02600 -1.0 2.0
   68    65    97   100   1.20400  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    60   0.56750  1.0 1.0
   52    49    50    60  -0.07550 -1.0 2.0
   52    49    50    60   0.20000  1.0 3.0
   52    49    50    41   0.56750  1.0 1.0
   52    49    50    41  -0.07550 -1.0 2.0
   52    49    50    41   0.20000  1.0 3.0
   52    49    56    57   0.15000  1.0 3.0
   52    49    56    58   0.15000  1.0 3.0
   52    49    56    59   0.15000  1.0 3.0
   56    49    50    51   0.15000  1.0 3.0
   56    49    50    60   0.56750  1.0 1.0
   56    49    50    60  -0.07550 -1.0 2.0
   56    49    50    60   0.20000  1.0 3.0
   56    49    50    41   0.56750  1.0 1.0
   56    49    50    41  -0.07550 -1.0 2.0
   56    49    50    41   0.20000  1.0 3.0
   56    49    52    53   0.15000  1.0 3.0
   56    49    52    54   0.15000  1.0 3.0
   56    49    52    55   0.15000  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
   38    48    42    43  10.50000 -1.0 2.0
   60    65    63    64  10.50000 -1.0 2.0
   88    98    86    80   4.00000 -1.0 2.0
   92    89    88    86   1.10000 -1.0 2.0
   96    93    92    88   1.10000 -1.0 2.0
   96    99    98    86   1.10000 -1.0 2.0
   87    94    90    91  10.50000 -1.0 2.0
END
