* LIGAND DATABASE FILE (OPLS2005)
*
001      99   106    196    351     602
    1     0 S   NP   _N1_     1    28.82764    95.55836   -19.05826
    2     1 S   H    _HN1     2     1.02780    78.97539   -79.45616
    3     1 S   H    _H1_     3     1.02961    87.89968    29.71749
    4     1 S   H    _H2_     4     1.02831    42.49237   147.95182
    5     1 S   CT   _CA1     5     1.50141   152.58300   162.94699
    6     5 S   HC   _HA1     6     1.09568   105.19910    48.34478
    7     5 S   CO3  _C1_     7     1.53832   112.53133   -71.73600
    8     7 S   O2Z  _O11     8     1.26348   115.03516   -37.57415
    9     7 S   O2Z  _O12     9     1.26320   115.11035   141.92382
   10     5 S   CT   _CB1    10     1.53168   107.37787   166.36134
   11    10 S   HC   HB11    11     1.09811   109.45029   -49.02133
   12    10 S   HC   HB12    12     1.09821   110.35444    67.66117
   13    10 S   CT   _CG1    13     1.52904   112.59798  -170.10841
   14    13 S   HC   HG11    14     1.09376   110.12552   -63.52586
   15    13 S   HC   HG12    15     1.09649   110.05906    55.51016
   16    13 S   C    _CD1    16     1.51787   112.70163   176.01985
   17    16 S   O    _OE1    17     1.22700   123.31192    -5.28098
   18    16 S   N    _N2_    18     1.38666   111.48284   175.37653
   19    18 S   H    _HN2    19     1.01574   118.94605     1.48530
   20    18 S   CT1  _CA2    20     1.46270   123.58045   179.39672
   21    20 S   HC   _HA2    21     1.09729   109.37908    -6.80639
   22    20 S   C    _C2_    22     1.53443   108.38808  -122.29255
   23    22 S   O    _O2_    23     1.23034   122.39850  -148.77103
   24    20 S   CT   _CB2    32     1.53403   111.38459   115.41023
   25    24 S   HC   HB21    33     1.09374   109.70786    56.55323
   26    24 S   HC   HB22    34     1.09529   110.45579   174.42571
   27    22 S   N    _N3_    24     1.38372   113.52131    38.71580
   28    27 S   H    _HN3    25     1.01631   119.45553    -3.48807
   29    24 S   S    _SG2    35     1.83166   111.06427   -67.23877
   30    27 S   CT   _CA3    26     1.45279   123.16996   177.07939
   31    30 S   HC   HA31    27     1.09550   107.50338   -64.54320
   32    30 S   HC   HA32    28     1.09558   107.98052    51.87839
   33    29 S   CT   _C33    36     1.88352   102.22324   137.20278
   34    33 S   OM   _O42    37     1.31645   106.65399   168.86074
   35    30 S   CO3  _C3_    29     1.52941   114.11329   173.87103
   36    35 S   O2Z  _O31    30     1.26370   116.05276    -1.00988
   37    35 S   O2Z  _O32    31     1.26428   114.41458   179.05622
   38    33 S   CA   _C27    38     1.54035   110.76251    52.25540
   39    38 S   CA   _C26    39     1.41174   121.43049  -123.10801
   40    39 S   CA   _C31    40     1.41439   120.68931   177.37140
   41    39 S   CO4  _C25    53     1.48857   119.90897    -3.19537
   42    41 S   O    _O39    54     1.22815   118.76909   156.21980
   43    40 S   CA   _C30    41     1.40084   121.38053     0.77708
   44    40 S   OH   _O40    51     1.37392   122.45078   179.82529
   45    44 S   HO   _H18    52     0.97324   109.17278     6.67491
   46    41 S   CT   _C19    55     1.53171   118.11854   -24.86898
   47    43 S   CA   _C29    42     1.39254   118.51738     0.54894
   48    47 S   HA   _H17    43     1.08758   120.31377   179.01583
   49    43 S   CT   _C32    47     1.50158   121.40423   179.58129
   50    49 S   HC   _H19    48     1.09473   110.19297   -63.65804
   51    49 S   HC   _H20    49     1.09488   110.33878    57.24453
   52    49 S   HC   _H21    50     1.09517   111.57481   176.62571
   53    46 S   CT   _C20    56     1.57276   109.08468   -75.30450
   54    53 S   HC   _H7_    57     1.09565   112.17460    20.77330
   55    33 S   CT   _C18    86     1.56398   107.89382   -72.81095
   56    55 S   HC   _H14    87     1.10054   104.76302    43.39469
   57    46 S   CT   _C14    90     1.59049   109.61476   171.34640
   58    57 S   HC   _H4_    91     1.09450   114.57351    10.61695
   59    38 S   CA   _C28    44     1.41897   122.12983    56.12176
   60    53 S   CO4  _C22    58     1.53085   117.54109   147.93651
   61    60 S   O    _O37    59     1.23098   121.00118  -118.64519
   62    82 S   CT   _C13    92     1.57568   111.39733    42.34844
   63    62 S   HC   _H3_    93     1.09472   114.21019   127.32982
   64    59 S   OH   _O41    45     1.37405   122.29012     3.20919
   65    64 S   HO   _H22    46     0.97541   107.36217     6.71133
   66    60 S   CT   _C23    60     1.52729   116.78535    70.01941
   67    66 S   HC   _H16    61     1.10322   102.98268    97.55337
   68    53 S   CT   _C21    94     1.53132   104.35314   -99.20250
   69    68 S   HC   _H8_    95     1.09534   114.28060  -162.29226
   70    66 S   CO4  _C24    62     1.51247   117.37325  -148.77050
   71    70 S   O    _O38    63     1.22553   123.15605    -9.69795
   72    68 S   OH   _O36    96     1.41923   111.68307    75.25575
   73    72 S   HO   _H15    97     0.97247   107.56354    62.94154
   74    70 S   CA   _C8_    64     1.49311   116.42195   173.76244
   75    74 S   CA   _C9_    65     1.40765   119.94586    -7.47428
   76    75 S   CA   _C10    66     1.40697   119.74516   177.17091
   77    75 S   CO4  _C11    79     1.49337   119.55282    -4.56978
   78    77 S   O    _O34    80     1.22600   119.87036   160.74698
   79    76 S   CA   _C5_    67     1.40299   120.85409     0.64468
   80    76 S   OH   _O33    77     1.37199   122.42740   179.67135
   81    80 S   HO   _H13    78     0.97344   109.23954     1.64521
   82    66 S   CT   _C12    81     1.53798   112.11273   -18.64439
   83    79 S   CA   _C6_    68     1.39860   118.89800     0.33804
   84    83 S   HA   _H12    69     1.08798   120.05705   179.35837
   85    79 S   CT   _C4_    73     1.50214   121.15711   179.14088
   86    85 S   HC   _H9_    74     1.09475   110.13950   -64.20027
   87    85 S   HC   _H10    75     1.09485   110.35574    56.69109
   88    85 S   HC   _H11    76     1.09512   111.56936   176.07070
   89    82 S   CT   _C16    82     1.57178   116.28041   -77.20759
   90    89 S   HC   _H6_    83     1.09333   112.65204   -98.84080
   91    74 S   CA   _C7_    70     1.40182   120.91062   170.91827
   92    89 S   CO4  _C17    84     1.52890   114.93992    25.87100
   93    92 S   O    _O35    85     1.22936   120.03997  -105.31253
   94    89 S   CT   _C15    88     1.52348   104.34881   141.36918
   95    94 S   HC   _H5_    89     1.09339   114.74389  -162.76388
   96    91 S   OH   _O44    71     1.36943   123.54306     2.13973
   97    96 S   HO   _H24    72     0.97424   108.89924     3.39846
   98    94 S   OH   _O43    98     1.41982   111.48343    74.85049
   99    98 S   HO   _H23    99     0.97663   107.42469    63.15273
  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
  16   7   2   1   1  15  14  13  16   4  10   3   1  21   8   3
   4   2   1   1  19   9  13   4  17   8   2  13   5  18   8   1
   1  14   6   7   3  10   4   2   1  12  12  13   9   2  10   3
   1   7   8   3   4   2   1   1   7   5   2   4   1   3   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    59    46    92    55    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    47    59    64    41    46    53    89    92    93    55    56    57  
   38    39    59    46    92    55    56  
   36    37  
   37  
    0  
   39    40    43    47    48    59    64    65    44    41    42    46    92    55    56  
   40    43    47    59    64    49    44    45    41    42    46    53    55    57  
   43    47    48    59    49    50    51    52    44    45    41    42    46  
   42    46    53    54    60    92    55    56    94    57    58    62    68    43    44    59  
   46    53    55    57  
   47    48    59    64    49    50    51    52    44    45  
   45    47    49  
    0  
   53    54    60    61    66    82    89    92    93    55    56    94    95    57    58    62    63    68    69    72    98  
   48    59    64    65    49    50    51    52  
   59    64    49  
   50    51    52    59  
   51    52  
   52  
    0  
   54    60    61    66    67    70    82    92    55    56    94    57    58    62    63    68    69    72    73  
   60    61    66    55    57    62    68    69    72  
   56    94    57    58    62    68    59    60    82    89    90    92    93  
   57    89    92    93  
   58    62    63    68    69    72    98    99    60    66    77    82    89    90    92    94    95  
   62    63    68    98    82    89    94    95  
   64    65  
   61    66    67    70    71    74    77    82    89    62    68    69    72  
   66    67    70    82    68  
   63    68    69    72    73    98    66    67    70    75    77    78    82    89    90    92    94    95  
   68    69    72    66    77    82    89    94  
   65  
    0  
   67    70    71    74    75    91    77    78    82    89    90    92    94    68  
   70    71    74    77    82    89  
   69    72    73    77    82    89    94  
   72    73    82  
   71    74    75    76    83    91    96    77    82    89  
   74    75    91    82  
   73    82  
    0  
   75    76    79    83    84    91    96    97    80    77    78    82  
   76    79    83    91    96    85    80    81    77    78    82    89  
   79    83    84    91    85    86    87    88    80    81    77    78    82  
   78    82    89    90    92    94    79    80    91  
   82    89  
   83    84    91    96    85    86    87    88    80    81  
   81    83    85  
    0  
   89    90    92    93    94    95    98  
   84    91    96    97    85    86    87    88  
   91    96    85  
   86    87    88    91  
   87    88  
   88  
    0  
   90    92    93    94    95    98    99  
   92    93    94    95    98  
   96    97  
   93    94    95    98  
   94  
   95    98    99  
   98    99  
   97  
    0  
   99  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    55   268.000  1.529
   38    39   469.000  1.400
   38    59   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    44   450.000  1.364
   43    47   469.000  1.400
   43    49   317.000  1.510
   47    48   367.000  1.080
   47    59   469.000  1.400
   59    64   450.000  1.364
   64    65   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   44    45   553.000  0.945
   41    42   570.000  1.229
   41    46   317.000  1.522
   46    53   268.000  1.529
   46    55   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    60   317.000  1.522
   53    68   268.000  1.529
   60    61   570.000  1.229
   60    66   317.000  1.522
   66    67   340.000  1.090
   66    70   317.000  1.522
   66    82   268.000  1.529
   70    71   570.000  1.229
   70    74   310.000  1.470
   74    75   469.000  1.400
   74    91   469.000  1.400
   75    76   469.000  1.400
   75    77   310.000  1.470
   76    79   469.000  1.400
   76    80   450.000  1.364
   79    83   469.000  1.400
   79    85   317.000  1.510
   83    84   367.000  1.080
   83    91   469.000  1.400
   91    96   450.000  1.364
   96    97   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   80    81   553.000  0.945
   77    78   570.000  1.229
   77    82   317.000  1.522
   82    89   268.000  1.529
   82    62   268.000  1.529
   89    90   340.000  1.090
   89    92   317.000  1.522
   89    94   268.000  1.529
   92    93   570.000  1.229
   92    55   317.000  1.522
   55    56   340.000  1.090
   94    95   340.000  1.090
   94    57   268.000  1.529
   94    98   320.000  1.410
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    72   320.000  1.410
   72    73   553.000  0.945
   98    99   553.000  0.945
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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    55    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    55    46    58.35000  112.70000
   33    55    92    63.00000  111.10000
   33    55    56    37.50000  110.70000
   38    33    34    85.00000  111.85700
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    59    47    63.00000  120.00000
   38    59    64    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    44    70.00000  120.00000
   39    41    42    75.00000  123.78400
   39    41    46    65.00000  115.47100
   40    43    47    63.00000  120.00000
   40    43    49    70.00000  120.00000
   40    44    45    35.00000  113.00000
   43    47    48    35.00000  120.00000
   43    47    59    63.00000  120.00000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   47    59    64    70.00000  120.00000
   59    38    39    63.00000  120.00000
   59    47    48    35.00000  120.00000
   59    64    65    35.00000  113.00000
   49    43    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   44    40    43    70.00000  120.00000
   41    39    40    60.00000  119.52600
   41    46    53    63.00000  111.10000
   41    46    55    63.00000  111.10000
   41    46    57    63.00000  111.10000
   46    41    42    80.00000  120.40000
   46    53    54    37.50000  110.70000
   46    53    60    63.00000  111.10000
   46    53    68    58.35000  112.70000
   46    55    92    63.00000  111.10000
   46    55    56    37.50000  110.70000
   46    57    94    58.35000  112.70000
   46    57    58    37.50000  110.70000
   46    57    62    58.35000  112.70000
   53    60    61    80.00000  120.40000
   53    60    66    70.00000  116.00000
   53    68    62    58.35000  112.70000
   53    68    69    37.50000  110.70000
   53    68    72    50.00000  109.50000
   60    53    54    35.00000  109.50000
   60    66    67    35.00000  109.50000
   60    66    70    75.00000  107.99600
   60    66    82    63.00000  111.10000
   66    60    61    80.00000  120.40000
   66    70    71    80.00000  120.40000
   66    70    74    65.00000  115.47100
   66    82    77    63.00000  111.10000
   66    82    89    58.35000  112.70000
   66    82    62    58.35000  112.70000
   70    66    67    35.00000  109.50000
   70    74    75    60.00000  119.52600
   70    74    91    60.00000  119.52600
   74    70    71    75.00000  123.78400
   74    75    76    63.00000  120.00000
   74    75    77    60.00000  119.52600
   74    91    83    63.00000  120.00000
   74    91    96    70.00000  120.00000
   75    76    79    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    78    75.00000  123.78400
   75    77    82    65.00000  115.47100
   76    79    83    63.00000  120.00000
   76    79    85    70.00000  120.00000
   76    80    81    35.00000  113.00000
   79    83    84    35.00000  120.00000
   79    83    91    63.00000  120.00000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   83    91    96    70.00000  120.00000
   91    74    75    63.00000  120.00000
   91    83    84    35.00000  120.00000
   91    96    97    35.00000  113.00000
   85    79    83    70.00000  120.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   80    76    79    70.00000  120.00000
   77    75    76    60.00000  119.52600
   77    82    89    63.00000  111.10000
   77    82    62    63.00000  111.10000
   82    66    67    37.50000  110.70000
   82    66    70    63.00000  111.10000
   82    77    78    80.00000  120.40000
   82    89    90    37.50000  110.70000
   82    89    92    63.00000  111.10000
   82    89    94    58.35000  112.70000
   82    62    57    58.35000  112.70000
   82    62    63    37.50000  110.70000
   82    62    68    58.35000  112.70000
   89    92    93    80.00000  120.40000
   89    92    55    70.00000  116.00000
   89    94    95    37.50000  110.70000
   89    94    57    58.35000  112.70000
   89    94    98    50.00000  109.50000
   92    89    90    35.00000  109.50000
   92    55    56    35.00000  109.50000
   55    33    34    50.00000  109.50000
   55    33    38    70.00000  112.17500
   55    46    53    58.35000  112.70000
   55    92    93    80.00000  120.40000
   94    89    90    37.50000  110.70000
   94    89    92    63.00000  111.10000
   94    57    58    37.50000  110.70000
   94    57    62    58.35000  112.70000
   94    98    99    55.00000  108.50000
   57    46    53    58.35000  112.70000
   57    46    55    58.35000  112.70000
   57    94    95    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    68    58.35000  112.70000
   62    82    89    58.35000  112.70000
   62    57    58    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    72    50.00000  109.50000
   68    53    54    37.50000  110.70000
   68    53    60    63.00000  111.10000
   68    62    63    37.50000  110.70000
   68    72    73    55.00000  108.50000
   72    68    69    35.00000  109.50000
   98    94    95    35.00000  109.50000
   98    94    57    50.00000  109.50000
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
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
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   94    57    62    68   0.56750  1.0 1.0
   94    57    62    68  -0.07550 -1.0 2.0
   94    57    62    68   0.20000  1.0 3.0
   95    94    57    46   0.15000  1.0 3.0
   95    94    57    58   0.15000  1.0 3.0
   95    94    57    62   0.15000  1.0 3.0
   95    94    98    99   0.19450  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    60  -0.95700  1.0 1.0
   57    46    53    60  -0.18200 -1.0 2.0
   57    46    53    60   0.29450  1.0 3.0
   57    46   -53    68   0.56750  1.0 1.0
   57    46   -53    68  -0.07550 -1.0 2.0
   57    46   -53    68   0.20000  1.0 3.0
   57    46    55    33   0.56750  1.0 1.0
   57    46    55    33  -0.07550 -1.0 2.0
   57    46    55    33   0.20000  1.0 3.0
   57    46   -55    92  -0.95700  1.0 1.0
   57    46   -55    92  -0.18200 -1.0 2.0
   57    46   -55    92   0.29450  1.0 3.0
   57    46    55    56   0.15000  1.0 3.0
   57    94    98    99  -0.11600  1.0 1.0
   57    94    98    99  -0.09450 -1.0 2.0
   57    94    98    99   0.21250  1.0 3.0
   57    62   -68    53   0.56750  1.0 1.0
   57    62   -68    53  -0.07550 -1.0 2.0
   57    62   -68    53   0.20000  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    72   0.86500  1.0 1.0
   57    62    68    72  -0.17500 -1.0 2.0
   57    62    68    72   0.20800  1.0 3.0
   58    57    62    82   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   62    82    89    90   0.15000  1.0 3.0
   62    82    89    92  -0.95700  1.0 1.0
   62    82    89    92  -0.18200 -1.0 2.0
   62    82    89    92   0.29450  1.0 3.0
   62    82   -89    94   0.56750  1.0 1.0
   62    82   -89    94  -0.07550 -1.0 2.0
   62    82   -89    94   0.20000  1.0 3.0
   62    68    72    73  -0.11600  1.0 1.0
   62    68    72    73  -0.09450 -1.0 2.0
   62    68    72    73   0.21250  1.0 3.0
   63    62    68    53   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    72   0.23400  1.0 3.0
   68    53    60    61   0.30150 -1.0 2.0
   68    53   -60    66   0.60050  1.0 1.0
   68    53   -60    66   0.05600 -1.0 2.0
   68    53   -60    66   0.26150  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   98    94    57    46   0.86500  1.0 1.0
   98    94    57    46  -0.17500 -1.0 2.0
   98    94    57    46   0.20800  1.0 3.0
   98    94    57    58   0.23400  1.0 3.0
   98    94    57    62   0.86500  1.0 1.0
   98    94    57    62  -0.17500 -1.0 2.0
   98    94    57    62   0.20800  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
   39    59    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    44    40    39   4.00000 -1.0 2.0
   47    49    43    40   4.00000 -1.0 2.0
   59    48    47    43   1.10000 -1.0 2.0
   47    64    59    38   4.00000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   53    66    60    61  10.50000 -1.0 2.0
   66    74    70    71  10.50000 -1.0 2.0
   75    91    74    70   4.00000 -1.0 2.0
   76    77    75    74   4.00000 -1.0 2.0
   79    80    76    75   4.00000 -1.0 2.0
   83    85    79    76   4.00000 -1.0 2.0
   91    84    83    79   1.10000 -1.0 2.0
   83    96    91    74   4.00000 -1.0 2.0
   75    82    77    78  10.50000 -1.0 2.0
   89    55    92    93  10.50000 -1.0 2.0
END
