* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    201    335     606
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02096   103.22226   -39.56163
    3     1 S   H    _H1_     3     1.02088    71.71070    66.08919
    4     1 S   H    _H2_     4     1.02132    41.84027  -142.86146
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.84808    97.33110  -158.13354
   34    33 S   HC   _H3_    37     1.10026   104.78068   -30.47099
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CO4  _C10    38     1.53142   101.72216    79.98064
   39    38 S   O    _O30    39     1.22862   122.33945   -85.51764
   40    38 S   OS   _O35    40     1.35736   115.25674    86.04869
   41    40 S   CT   _C15    41     1.45466   120.13502    49.82243
   42    41 S   HC   _H48    42     1.09711   106.46038    66.75229
   43    41 S   C5BC _C7_    43     1.48700   109.30373  -179.83214
   44    41 S   CT   _C22    51     1.58830   110.78377   -54.09321
   45    43 S   C5BC _C4_    44     1.41520   126.97860    35.90512
   46    45 S   HA   _H37    45     1.08116   127.78738    -0.00000
   47    44 S   CT   _C13    52     1.57162   109.01684   172.58436
   48    47 S   HC   _H44    53     1.09836   109.42775    83.68920
   49    47 S   HC   _H45    54     1.09868   110.29933   -30.68542
   50    33 S   CT   _C24    81     1.57893   121.31200  -154.00404
   51    50 S   OM   _O27    82     1.34120   102.82208   175.78597
   52    44 S   CT   _C26    97     1.55920   106.95645   -68.80300
   53    52 S   HC   _H54    98     1.07848   108.21698    61.85696
   54    52 S   HC   _H55    99     1.07806   108.26375   -58.11197
   55    52 S   HC   _H56   100     1.07817   108.25254  -178.15921
   56    45 S   C5A  _C5_    46     1.37523   106.13537  -180.00000
   57    56 S   HA   _H38    47     1.07980   133.86567  -179.96574
   58    47 S   CT   _C12    55     1.53873   116.52221  -153.03108
   59    58 S   HC   _H42    56     1.09518   109.79063    99.12799
   60    58 S   HC   _H43    57     1.09234   106.47358  -146.29388
   61    56 S   OA   _O33    48     1.35967   110.54494    -0.00000
   62    58 S   CT   _C19    58     1.52558   112.16661   -24.34023
   63    62 S   HC   _H52    59     1.09289   102.95694   -46.65743
   64    43 S   C5A  _C6_    49     1.37444   126.86328  -144.08469
   65    64 S   HA   _H39    50     1.08019   133.94165     0.00000
   66    62 S   CT   _C21    60     1.57132   117.58421  -156.85670
   67    66 S   CT   _C14    61     1.53765   116.08122   -62.53220
   68    67 S   HC   _H46    62     1.09355   113.24436  -178.51444
   69    67 S   HC   _H47    63     1.08276   114.54815   -59.06730
   70    66 S   CT   _C16    74     1.53882   105.72024   166.46525
   71    70 S   HC   _H49    75     1.10407   107.50498   -49.76714
   72    67 S   OS   _O34    64     1.43468   111.11867    63.11362
   73    70 S   CO4  _C8_    76     1.50963   110.69145    60.58508
   74    73 S   O    _O28    77     1.22592   123.56187   120.77428
   75    72 S   CO4  _C9_    65     1.35208   118.60516    57.76213
   76    75 S   O    _O29    66     1.22963   121.26330   163.79636
   77    73 S   CT   _C17    78     1.54347   113.27530   -62.57172
   78    77 S   HC   _H50    79     1.09336   105.58607   -64.61494
   79    75 S   CT   _C11    67     1.51392   117.73840   -18.49277
   80    79 S   HC   _H40    68     1.09507   107.35483   120.05430
   81    79 S   HC   _H41    69     1.09766   105.34146  -125.19910
   82    62 S   CT   _C23    80     1.61533   111.49933    66.45762
   83    77 S   OH   _O37    87     1.41865   107.32399   179.11951
   84    83 S   HO   _H66    88     0.97217   106.90171    60.03567
   85    66 S   CT   _C20    70     1.53504   117.07408    59.72009
   86    85 S   HC   _H53    71     1.09771   112.09407    41.29710
   87    82 S   CT   _C27    83     1.57848   112.33737    77.57272
   88    87 S   HC   _H57    84     1.07264   107.23694   -64.77542
   89    87 S   HC   _H58    85     1.07259   107.26478   175.25881
   90    87 S   HC   _H59    86     1.07196   107.24208    55.25252
   91    85 S   OS   _O36    72     1.46329   103.70751   155.34614
   92    91 S   CT   _C25    73     1.45423   109.05122   -33.12137
   93    92 S   CT   _C28    89     1.53563   106.92125   125.00094
   94    93 S   HC   _H60    90     1.08542   109.42191    67.15583
   95    93 S   HC   _H61    91     1.08560   109.40583   -52.86654
   96    93 S   HC   _H62    92     1.08643   109.39600  -172.84857
   97    92 S   CT   _C29    93     1.52790   109.60518  -118.49612
   98    97 S   HC   _H63    94     1.08905   109.73844   -62.49236
   99    97 S   HC   _H64    95     1.08822   109.81425   177.51061
  100    97 S   HC   _H65    96     1.08836   109.78136    57.48448
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1   9   3   9  20   7  11  18   6   4  15   7
   6  18   5   5   2   1   1   4   2  11   5   4   2  22   7   1
   1  21  14   5   4  21   8   6  12   5   7   4   9   4   6   4
   3   7   2   1   5   2   3   2   1   1   9   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    82    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    62    77    82    50    51    87    52  
   38    39    40    44    82    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    82    50    51  
   40    41    50  
   41    42    43    45    64    44    47    50    52  
   42    43    45    46    56    61    64    65    44    47    48    49    58    82    50    51    52    53    54    55  
   43    45    64    44    47    50    52  
   45    46    56    57    61    64    65    44    47    50    52  
   47    48    49    58    59    60    62    77    82    50    51    87    52    53    54    55    45    64  
   46    56    57    61    64    65  
   56    57    61    64  
   48    49    58    59    60    62    63    66    82    50    51    52    53    54    55  
   49    58    59    60    62    50    52  
   58    59    60    62    50    52  
   51    87    88    89    90    83    52    53    54    55    58    62    63    66    73    77    78    82  
   87    52    62    77    82  
   53    54    55    58    82  
   54    55  
   55  
    0  
   57    61    64    65  
   61    64  
   59    60    62    63    66    67    85    70    77    82    87  
   60    62    63    66    82  
   62    63    66    82  
   64    65  
   63    66    67    68    69    72    79    85    86    91    92    70    71    73    77    78    82    87    88    89    90    83  
   66    67    85    70    77    82    87  
   65  
    0  
   67    68    69    72    75    79    80    81    85    86    91    92    70    71    73    74    77    82    87    93    97  
   68    69    72    75    76    79    85    86    91    92    70    71    73    82  
   69    72    75    85    70  
   72    75    85    70  
   71    73    74    77    78    82    83    93    94    95    96    97    98    99   100    72    79    85    86    91    92  
   73    74    77    93    97    85    91    92  
   75    76    79    80    81    85  
   74    77    78    82    87    83    84    93    97    85    91    92  
   77    78    82    83    92  
   76    79    80    81    85    86    91  
   79    80    81    85  
   78    82    87    88    89    90    83    84    92  
   82    87    83    84  
   80    81    85    86    91    92  
   81    85    86    91  
   85    86    91  
   87    88    89    90    83    84    85  
   84    87  
    0  
   86    91    92    93    97  
   91    92  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100  
   99   100  
  100  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    64   546.000  1.367
   45    46   367.000  1.080
   45    56   546.000  1.367
   56    57   367.000  1.080
   56    61   340.000  1.360
   61    64   340.000  1.360
   64    65   367.000  1.080
   44    47   268.000  1.529
   44    50   268.000  1.529
   44    52   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    82   268.000  1.529
   66    67   268.000  1.529
   66    85   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    91   320.000  1.410
   91    92   320.000  1.410
   92    70   268.000  1.529
   92    93   268.000  1.529
   92    97   268.000  1.529
   70    71   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    77   317.000  1.522
   77    78   340.000  1.090
   77    82   268.000  1.529
   77    83   320.000  1.410
   82    50   268.000  1.529
   82    87   268.000  1.529
   50    51   570.000  1.307
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   83    84   553.000  0.945
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   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    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  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    50    44    58.35000  112.70000
   33    50    82    58.35000  112.70000
   33    50    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    64    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    44    52    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    56    70.00000  107.30000
   43    64    61    70.00000  110.60000
   43    64    65    35.00000  132.10000
   45    56    57    35.00000  132.10000
   45    56    61    70.00000  110.60000
   56    45    46    35.00000  125.70000
   56    61    64    70.00000  106.50000
   61    56    57    35.00000  113.40000
   61    64    65    35.00000  113.40000
   64    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    58    58.35000  112.70000
   44    50    82    58.35000  112.70000
   44    50    51    50.00000  109.50000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   47    58    59    37.50000  110.70000
   47    58    60    37.50000  110.70000
   47    58    62    58.35000  112.70000
   49    47    48    33.00000  107.80000
   58    47    48    37.50000  110.70000
   58    47    49    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    66    58.35000  112.70000
   58    62    82    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    66    67    58.35000  112.70000
   62    66    85    58.35000  112.70000
   62    66    70    58.35000  112.70000
   62    82    77    58.35000  112.70000
   62    82    50    58.35000  112.70000
   62    82    87    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    72    50.00000  109.50000
   66    85    79    58.35000  112.70000
   66    85    86    37.50000  110.70000
   66    85    91    50.00000  109.50000
   66    70    92    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    73    63.00000  111.10000
   67    72    75    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    75    76    83.00000  123.40000
   72    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    85    63.00000  111.10000
   79    75    76    80.00000  120.40000
   79    85    86    37.50000  110.70000
   79    85    91    50.00000  109.50000
   81    79    80    33.00000  107.80000
   85    66    67    58.35000  112.70000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    91    92    60.00000  109.50000
   91    85    86    35.00000  109.50000
   91    92    70    50.00000  109.50000
   91    92    93    50.00000  109.50000
   91    92    97    50.00000  109.50000
   92    70    71    37.50000  110.70000
   92    70    73    63.00000  111.10000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   70    66    67    58.35000  112.70000
   70    66    85    58.35000  112.70000
   70    73    74    80.00000  120.40000
   70    73    77    70.00000  116.00000
   73    70    71    35.00000  109.50000
   73    77    78    35.00000  109.50000
   73    77    82    63.00000  111.10000
   73    77    83    90.00000  109.61100
   77    73    74    80.00000  120.40000
   77    82    50    58.35000  112.70000
   77    82    87    58.35000  112.70000
   77    83    84    55.00000  108.50000
   82    62    63    37.50000  110.70000
   82    62    66    58.35000  112.70000
   82    77    78    37.50000  110.70000
   82    50    51    50.00000  109.50000
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    90    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    47    58.35000  112.70000
   87    82    50    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    82    50.00000  109.50000
   93    92    70    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    92    70    58.35000  112.70000
   97    92    93    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   52    44    47    58.35000  112.70000
   52    44    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    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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   82    62   -66    70  -0.07550 -1.0 2.0
   82    62   -66    70   0.20000  1.0 3.0
   82    77    83    84  -0.11600  1.0 1.0
   82    77    83    84  -0.09450 -1.0 2.0
   82    77    83    84   0.21250  1.0 3.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    40   0.36750  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44   -47    58   0.56750  1.0 1.0
   50    44   -47    58  -0.07550 -1.0 2.0
   50    44   -47    58   0.20000  1.0 3.0
   50    44    52    53   0.15000  1.0 3.0
   50    44    52    54   0.15000  1.0 3.0
   50    44    52    55   0.15000  1.0 3.0
   50    82    87    88   0.15000  1.0 3.0
   50    82    87    89   0.15000  1.0 3.0
   50    82    87    90   0.15000  1.0 3.0
   87    82    50    33   0.56750  1.0 1.0
   87    82    50    33  -0.07550 -1.0 2.0
   87    82    50    33   0.20000  1.0 3.0
   87    82    50    44   0.56750  1.0 1.0
   87    82    50    44  -0.07550 -1.0 2.0
   87    82    50    44   0.20000  1.0 3.0
   87    82    50    51   0.62750  1.0 1.0
   87    82    50    51  -0.30950 -1.0 2.0
   87    82    50    51   0.27300  1.0 3.0
   83    77    82    62   0.86500  1.0 1.0
   83    77    82    62  -0.17500 -1.0 2.0
   83    77    82    62   0.20800  1.0 3.0
   83    77    82    50   0.86500  1.0 1.0
   83    77    82    50  -0.17500 -1.0 2.0
   83    77    82    50   0.20800  1.0 3.0
   83    77    82    87   0.86500  1.0 1.0
   83    77    82    87  -0.17500 -1.0 2.0
   83    77    82    87   0.20800  1.0 3.0
   93    92    70    66   0.56750  1.0 1.0
   93    92    70    66  -0.07550 -1.0 2.0
   93    92    70    66   0.20000  1.0 3.0
   93    92    70    71   0.15000  1.0 3.0
   93    92    70    73  -0.95700  1.0 1.0
   93    92    70    73  -0.18200 -1.0 2.0
   93    92    70    73   0.29450  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   97    92    70    66   0.56750  1.0 1.0
   97    92    70    66  -0.07550 -1.0 2.0
   97    92    70    66   0.20000  1.0 3.0
   97    92    70    71   0.15000  1.0 3.0
   97    92    70    73  -0.95700  1.0 1.0
   97    92    70    73  -0.18200 -1.0 2.0
   97    92    70    73   0.29450  1.0 3.0
   97    92    93    94   0.15000  1.0 3.0
   97    92    93    95   0.15000  1.0 3.0
   97    92    93    96   0.15000  1.0 3.0
   52    44    47    48   0.15000  1.0 3.0
   52    44    47    49   0.15000  1.0 3.0
   52    44    47    58   0.56750  1.0 1.0
   52    44    47    58  -0.07550 -1.0 2.0
   52    44    47    58   0.20000  1.0 3.0
   52    44    50    33   0.56750  1.0 1.0
   52    44    50    33  -0.07550 -1.0 2.0
   52    44    50    33   0.20000  1.0 3.0
   52    44    50    82   0.56750  1.0 1.0
   52    44    50    82  -0.07550 -1.0 2.0
   52    44    50    82   0.20000  1.0 3.0
   52    44    50    51   0.62750  1.0 1.0
   52    44    50    51  -0.30950 -1.0 2.0
   52    44    50    51   0.27300  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    64    43    41   4.00000 -1.0 2.0
   56    46    45    43   1.10000 -1.0 2.0
   61    57    56    45   1.10000 -1.0 2.0
   61    65    64    43   1.10000 -1.0 2.0
   72    79    75    76  10.50000 -1.0 2.0
   70    77    73    74  10.50000 -1.0 2.0
END
