* LIGAND DATABASE FILE (OPLS2005)
*
001      87    91    163    266     480
    1     0 S   NP   _N1_     1    28.43248    93.94877   -22.50087
    2     1 S   H    _HN1     2     1.02961    90.29004    21.90993
    3     1 S   H    _H1_     3     1.02839    25.44900   154.02748
    4     1 S   H    _H2_     4     1.02780    96.19963   -86.56876
    5     1 S   CT   _CA1     5     1.50104   135.81081   142.26305
    6     5 S   HC   _HA1     6     1.09574   105.24595    64.47182
    7     5 S   CO3  _C1_     7     1.53814   112.44099   -55.76427
    8     7 S   O2Z  _O11     8     1.26360   114.99356   -43.05599
    9     7 S   O2Z  _O12     9     1.26241   114.93015   136.18811
   10     5 S   CT   _CB1    10     1.53109   107.44730  -177.58386
   11    10 S   HC   HB11    11     1.09820   109.41266   -50.87313
   12    10 S   HC   HB12    12     1.09820   110.38082    65.72791
   13    10 S   CT   _CG1    13     1.52974   112.59262  -171.97973
   14    13 S   HC   HG11    14     1.09514   110.26788   -63.17764
   15    13 S   HC   HG12    15     1.09648   110.01940    55.96834
   16    13 S   C    _CD1    16     1.51786   112.44739   176.52408
   17    16 S   O    _OE1    17     1.22714   123.24568    -1.59348
   18    16 S   N    _N2_    18     1.38617   111.59932   178.58142
   19    18 S   H    _HN2    19     1.01576   119.08080     1.40556
   20    18 S   CT1  _CA2    20     1.46196   123.48912  -179.95154
   21    20 S   HC   _HA2    21     1.09726   109.39813    -4.84464
   22    20 S   C    _C2_    22     1.53549   108.65161  -120.52037
   23    22 S   O    _O2_    23     1.23039   122.13358  -148.53066
   24    20 S   CT   _CB2    32     1.53470   111.44214   117.18709
   25    24 S   HC   HB21    33     1.09439   109.31334    55.99615
   26    24 S   HC   HB22    34     1.09405   109.86489   174.68551
   27    22 S   N    _N3_    24     1.38477   113.60386    38.91952
   28    27 S   H    _HN3    25     1.01499   118.91691    -0.79204
   29    24 S   S    _SG2    35     1.83251   111.40657   -65.04084
   30    27 S   CT   _CA3    26     1.45460   123.61964   175.48885
   31    30 S   HC   HA31    27     1.09513   109.47943    19.56516
   32    30 S   HC   HA32    28     1.09509   107.05674   136.57617
   33    29 S   CT   _C22    36     1.94970   100.89905   179.54329
   34    30 S   CO3  _C3_    29     1.52901   112.96245  -104.10173
   35    34 S   O2Z  _O31    30     1.26419   115.34035   -46.30037
   36    34 S   O2Z  _O32    31     1.26348   115.03138   134.62682
   37    33 S   CA   _C12    37     1.54509   107.61296  -172.81326
   38    33 S   CO4  _C17    68     1.52419   101.66617    65.44790
   39    38 S   O    _O27    69     1.23163   123.51398    43.12341
   40    37 S   CA   _C11    38     1.42275   116.28662    71.67810
   41    40 S   CA   _C7_    39     1.40505   120.66301  -177.40897
   42    41 S   HA   _H36    40     1.08794   120.03119   178.21491
   43    40 S   CO   _C20    51     1.51613   118.58197     0.36154
   44    43 S   HC   _H38    52     1.09547   108.34010   -86.51409
   45    41 S   CA   _C13    41     1.39542   120.83899    -1.97001
   46    43 S   NE   _N25    53     1.46310   111.68673    36.19296
   47    45 S   CA   _C8_    42     1.39550   118.83729    -1.23780
   48    47 S   HA   _H37    43     1.08792   119.23917  -177.71073
   49    45 S   CT   _C23    47     1.49889   120.51748  -178.05077
   50    49 S   HC   _H40    48     1.09434   110.01239    88.11404
   51    49 S   HC   _H41    49     1.09512   110.92830  -151.38834
   52    49 S   HC   _H42    50     1.09512   110.91920   -32.39296
   53    33 S   CM   _C18    54     1.54751   107.83391   -55.85334
   54    46 S   CT1  _C21    70     1.46322   107.35637   141.44987
   55    54 S   HC   _H39    71     1.09447   110.45226  -124.60891
   56    37 S   CA   _C15    44     1.40354   126.30037  -109.96180
   57    53 S   CMA  _C16    55     1.37585   123.22564   119.33714
   58    57 S   OM   _O26    56     1.26867   126.13637  -173.16098
   59    54 S   CO4  _C19    72     1.51666   103.21116   -13.10014
   60    59 S   O    _O28    73     1.22187   125.89782  -175.28865
   61    54 S   CTE  _C27    75     1.54883   111.93806   109.20530
   62    61 S   HC   _H51    76     1.09757   107.97016    49.19961
   63    56 S   OH   _O33    45     1.36672   121.04891    -2.70624
   64    63 S   HO   _H53    46     0.97179   109.55766   178.69584
   65    57 S   CA   _C10    57     1.53012   116.59455    10.37686
   66    43 S   OS   _O29    74     1.42783   112.22499   156.64152
   67    61 S   CT   _C25    77     1.53426   113.40059   -68.27883
   68    67 S   HC   _H46    78     1.09457   111.82121   -67.47216
   69    67 S   HC   _H47    79     1.09450   111.10102   172.18018
   70    67 S   HC   _H48    80     1.09275   111.20688    53.75223
   71    61 S   CT   _C26    81     1.54441   110.28342   165.95031
   72    71 S   HC   _H49    82     1.09575   110.49780    68.45481
   73    71 S   HC   _H50    83     1.09694   109.18298   -48.75769
   74    65 S   CA   _C9_    58     1.39872   122.35366   -14.46733
   75    71 S   CT   _C24    84     1.52321   113.59754  -169.09203
   76    75 S   HC   _H43    85     1.09449   111.08571    54.23974
   77    75 S   HC   _H44    86     1.09366   111.62933   -67.11859
   78    75 S   HC   _H45    87     1.09489   109.96271   173.71172
   79    74 S   CA   _C5_    59     1.41022   122.45866  -179.62938
   80    79 S   HA   _H34    60     1.08769   121.00473   180.00000
   81    79 S   CA   _C4_    61     1.38716   120.66032    -0.54140
   82    81 S   HA   _H33    62     1.08532   120.45378  -179.78511
   83    81 S   CA   _C6_    63     1.38351   119.05158    -0.04846
   84    83 S   HA   _H35    64     1.08677   119.76477  -179.62570
   85    65 S   CA   _C14    65     1.42491   122.78796   165.00279
   86    85 S   OH   _O30    66     1.37575   123.44134    -0.86162
   87    86 S   HO   _H52    67     0.97531   107.26961     2.79106
  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
  17   2   1   1  18  12   4  14  13   4  12   5   8  13   8   3
   4   2   1   1  11  15   7   2   7   3   6   2  13   8   1   1
   9   1   7   3   2   1   6   5   4   7   3   2   1   1   6   3
   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    46    53    57    74    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    56    63    43    46    53    57    58    65    74    79    38    39    54  
   35    36  
   36  
    0  
   40    41    42    45    47    48    56    63    64    43    44    46    53    57    74    38    39    66  
   39    40    46    53    56    57    65    74    79    80    81    85  
   53    65    74    79  
   41    42    45    47    56    63    49    43    44    46    53    54    59    66  
   42    45    47    48    56    49    50    51    52    43    44    46    66  
   45    47    49    43  
   44    46    53    57    54    55    59    60    66    61    45    56  
   46    53    54    59    66  
   47    48    56    63    49    50    51    52  
   53    57    58    65    54    55    59    60    66    61    62    67    71  
   48    56    63    64    49    50    51    52  
   56    63    49  
   50    51    52    56  
   51    52  
   52  
    0  
   57    58    65    74    85    54    55    59    66    61    56  
   55    59    60    66    61    62    67    68    69    70    71    72    73    75    57  
   59    60    66    61    62    67    71  
   63    64  
   58    65    74    79    83    85    86  
   65    74    85  
   60    66    61    62    67    71  
   66    61  
   62    67    68    69    70    71    72    73    75    76    77    78    66  
   67    68    69    70    71    72    73    75  
   64  
    0  
   74    79    80    81    83    84    85    86    87  
    0  
   68    69    70    71    72    73    75  
   69    70    71  
   70    71  
   71  
   72    73    75    76    77    78  
   73    75    76    77    78  
   75    76    77    78  
   79    80    81    82    83    85    86  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82    83  
   82    83    84    85    86  
   83    84    85  
   84    85    86    87  
   85    86  
   86    87  
   87  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700  -0.263000   1.9050   1.6860   0.051222218  -2.220205820
   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   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    56   469.000  1.400
   40    41   469.000  1.400
   40    43   270.000  1.504
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    49   317.000  1.510
   47    48   367.000  1.080
   47    56   469.000  1.400
   56    63   450.000  1.364
   63    64   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   43    44   340.000  1.090
   43    46   320.000  1.442
   43    66   320.000  1.380
   46    53   425.000  1.378
   46    54   382.000  1.448
   53    57   465.000  1.376
   57    58   745.000  1.250
   57    65   320.000  1.460
   65    74   469.000  1.400
   65    85   469.000  1.400
   74    79   469.000  1.400
   74    38   310.000  1.470
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   450.000  1.364
   86    87   553.000  0.945
   38    39   570.000  1.229
   54    55   340.000  1.090
   54    59   255.000  1.522
   54    61   268.000  1.529
   59    60   570.000  1.229
   59    66   214.000  1.327
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    71   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    53    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    56    70.00000  120.00000
   33    53    46    75.00000  116.24600
   33    53    57    70.00000  124.00000
   33    38    74    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    60.00000  120.68000
   37    56    47    63.00000  120.00000
   37    56    63    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    45.00000  112.15300
   40    43    46    75.00000  111.80000
   40    43    66    90.00000  107.97000
   41    45    47    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    56    63.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    56    63    70.00000  120.00000
   56    37    40    63.00000  120.00000
   56    47    48    35.00000  120.00000
   56    63    64    35.00000  113.00000
   49    45    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
   43    40    41    60.00000  120.68000
   43    46    53    50.00000  121.00000
   43    46    54    50.00000  115.00000
   43    66    59    95.00000  111.08000
   46    43    44    50.00000  108.16000
   46    53    57    70.00000  124.03900
   46    54    55    35.00000  109.50000
   46    54    59    80.00000  111.64100
   46    54    61    80.00000  109.70000
   53    33    37    70.00000  112.99600
   53    57    58    65.00000  137.10300
   53    57    65    60.00000  123.20500
   57    65    74    60.00000  120.93500
   57    65    85    60.00000  120.93500
   65    57    58    85.00000  114.86500
   65    74    79    63.00000  120.00000
   65    74    38    60.00000  119.52600
   65    85    83    63.00000  120.00000
   65    85    86    70.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    81    63.00000  120.00000
   74    38    39    75.00000  123.78400
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    70.00000  120.00000
   85    65    74    63.00000  120.00000
   85    83    84    35.00000  120.00000
   85    86    87    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    53    70.00000  109.06800
   38    74    79    60.00000  119.52600
   54    46    53    50.00000  121.00000
   54    59    60    75.00000  123.42600
   54    59    66    90.00000  109.72300
   54    61    62    37.50000  110.70000
   54    61    67    58.35000  112.70000
   54    61    71    58.35000  112.70000
   59    54    55    45.00000  110.09800
   66    43    44    35.00000  109.50000
   66    43    46    95.00000  112.71300
   66    59    60    83.00000  123.40000
   61    54    55    37.50000  110.70000
   61    54    59    63.00000  111.10000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    70    37.50000  110.70000
   61    71    72    37.50000  110.70000
   61    71    73    37.50000  110.70000
   61    71    75    58.35000  112.70000
   67    61    62    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    61    62    37.50000  110.70000
   71    61    67    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    56  -0.16000  1.0 1.0
   29    33    37    56  -0.03200 -1.0 2.0
   29    33    37    56   0.04500  1.0 3.0
   29    33    53    46   0.09700  1.0 1.0
   29    33    53    46   0.15600 -1.0 2.0
   29    33    53    46  -0.50800  1.0 3.0
   29    33    53    57   0.42700  1.0 1.0
   29    33    53    57  -0.70350 -1.0 2.0
   29    33    53    57  -0.43150  1.0 3.0
   29    33    38    74   0.65300  1.0 1.0
   29    33    38    74  -0.03850 -1.0 2.0
   29    33    38    74   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    56    47   3.62500 -1.0 2.0
   33    37    56    63   3.62500 -1.0 2.0
   33    53    57    58   7.00000 -1.0 2.0
   33    53    57    65   7.00000 -1.0 2.0
   37    33    53    46  -0.22650  1.0 1.0
   37    33    53    46   0.16900 -1.0 2.0
   37    33    53    46   1.14250  1.0 3.0
   37    33    53    57   1.44450  1.0 1.0
   37    33    53    57   0.06600 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    38    74   0.65300  1.0 1.0
   37    33    38    74  -0.03850 -1.0 2.0
   37    33    38    74   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46  -0.06000  1.0 1.0
   37    40   -43    46   0.30500 -1.0 2.0
   37    40   -43    46   0.09200  1.0 3.0
   37    40    43    66   0.64500  1.0 1.0
   37    40    43    66   0.14800 -1.0 2.0
   37    40    43    66   0.20650  1.0 3.0
   37    56    63    64   0.84100 -1.0 2.0
   40    37    56    47   3.62500 -1.0 2.0
   40    37    56    63   3.62500 -1.0 2.0
   40    41   -45    47   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    43    46    53  -0.12500  1.0 1.0
   40    43    46    53  -0.12500 -1.0 2.0
   40    43    46    53   0.25000  1.0 3.0
   40    43    46    54   0.00000  1.0 1.0
   40    43    66    59  -0.43900 -1.0 2.0
   40    43    66    59   0.14100  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46  -0.06000  1.0 1.0
   41    40    43    46   0.30500 -1.0 2.0
   41    40    43    46   0.09200  1.0 3.0
   41    40    43    66   0.64500  1.0 1.0
   41    40    43    66   0.14800 -1.0 2.0
   41    40    43    66   0.20650  1.0 3.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45    47    56   3.62500 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.00000  1.0 1.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    47   -56    37   3.62500 -1.0 2.0
   45    47    56    63   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    56    63    64   0.84100 -1.0 2.0
   48    47    56    37   3.62500 -1.0 2.0
   48    47    56    63   3.62500 -1.0 2.0
   56    37   -40    41   3.62500 -1.0 2.0
   56    37    40    43   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    56   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -53    33   1.00000 -1.0 2.0
   43    46    53    57  -0.54700  1.0 1.0
   43    46    53    57   1.23000 -1.0 2.0
   43    46    54    55   0.00000  1.0 1.0
   43    46   -54    59   0.00000  1.0 1.0
   43    46    54    61   0.00000  1.0 1.0
   44    43    46    53   0.00000  1.0 1.0
   44    43    46    54   0.00000  1.0 1.0
   44    43    66    59   0.08050  1.0 3.0
   46    43   -66    59  -0.24150  1.0 1.0
   46    43   -66    59  -0.46200 -1.0 2.0
   46    43   -66    59   0.11700  1.0 3.0
   46    53    57    58   7.00000 -1.0 2.0
   46    53    57    65   7.00000 -1.0 2.0
   46    54    59    60   0.00000  1.0 1.0
   46    54   -59    66   0.40000  1.0 3.0
   46    54    61    62   0.23200  1.0 3.0
   46    54    61    67   1.32350  1.0 1.0
   46    54    61    67   0.47700 -1.0 2.0
   46    54    61    67   0.26100  1.0 3.0
   46    54    61    71   1.32350  1.0 1.0
   46    54    61    71   0.47700 -1.0 2.0
   46    54    61    71   0.26100  1.0 3.0
   53    33   -37    40   0.18050 -1.0 2.0
   53    33    37    56   0.18050 -1.0 2.0
   53    33    38    74   0.65300  1.0 1.0
   53    33    38    74  -0.03850 -1.0 2.0
   53    33    38    74   0.33900  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    46    54    55   0.00000  1.0 1.0
   53    46    54    59  -0.12500  1.0 1.0
   53    46    54    59  -0.12500 -1.0 2.0
   53    46    54    59   0.25000  1.0 3.0
   53    46    54    61   0.25450  1.0 1.0
   53    46    54    61  -0.61700 -1.0 2.0
   53    46    54    61  -0.23550  1.0 3.0
   53    57   -65    74   0.15800  1.0 1.0
   53    57   -65    74   1.85350 -1.0 2.0
   53    57   -65    74  -0.48700  1.0 3.0
   53    57    65    85   0.15800  1.0 1.0
   53    57    65    85   1.85350 -1.0 2.0
   53    57    65    85  -0.48700  1.0 3.0
   57    65    74    79   3.62500 -1.0 2.0
   57    65    74    38   3.62500 -1.0 2.0
   57    65    85    83   3.62500 -1.0 2.0
   57    65    85    86   3.62500 -1.0 2.0
   58    57    65    74  -0.01750  1.0 1.0
   58    57    65    74  -0.32000 -1.0 2.0
   58    57    65    74   0.00600  1.0 3.0
   58    57    65    85  -0.01750  1.0 1.0
   58    57    65    85  -0.32000 -1.0 2.0
   58    57    65    85   0.00600  1.0 3.0
   65    74    79    80   3.62500 -1.0 2.0
   65    74    79    81   3.62500 -1.0 2.0
   65    74   -38    33   2.26350  1.0 1.0
   65    74   -38    33   0.76750 -1.0 2.0
   65    74   -38    33   0.22500  1.0 3.0
   65    74    38    39   1.05000 -1.0 2.0
   65    85    86    87   0.84100 -1.0 2.0
   74    65    85    83   3.62500 -1.0 2.0
   74    65    85    86   3.62500 -1.0 2.0
   74    79    81    82   3.62500 -1.0 2.0
   74    79   -81    83   3.62500 -1.0 2.0
   79    74    38    33   2.26350  1.0 1.0
   79    74    38    33   0.76750 -1.0 2.0
   79    74    38    33   0.22500  1.0 3.0
   79    74    38    39   1.05000 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81    83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83   -85    65   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85    86    87   0.84100 -1.0 2.0
   84    83    85    65   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   85    65   -74    79   3.62500 -1.0 2.0
   85    65    74    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    56   0.04300 -1.0 2.0
   38    33    53    46   0.09700  1.0 1.0
   38    33    53    46   0.15600 -1.0 2.0
   38    33    53    46  -0.50800  1.0 3.0
   38    33   -53    57  -0.51250  1.0 1.0
   38    33   -53    57  -0.88800 -1.0 2.0
   38    33   -53    57   0.08850  1.0 3.0
   38    74    79    80   3.62500 -1.0 2.0
   38    74    79    81   3.62500 -1.0 2.0
   54    46    53    33   1.00000 -1.0 2.0
   54    46    53    57  -0.54700  1.0 1.0
   54    46    53    57   1.23000 -1.0 2.0
   54    59   -66    43   1.63150  1.0 1.0
   54    59   -66    43   2.92000 -1.0 2.0
   54    61    67    68   0.15000  1.0 3.0
   54    61    67    69   0.15000  1.0 3.0
   54    61    67    70   0.15000  1.0 3.0
   54    61    71    72   0.15000  1.0 3.0
   54    61    71    73   0.15000  1.0 3.0
   54    61    71    75   0.65000  1.0 1.0
   54    61    71    75  -0.02500 -1.0 2.0
   54    61    71    75   0.10000  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    66   0.00000  1.0 1.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    67   0.15000  1.0 3.0
   55    54    61    71   0.15000  1.0 3.0
   59    54    61    62  -0.03800  1.0 3.0
   59    54    61    67   0.33900  1.0 1.0
   59    54    61    67   0.63800 -1.0 2.0
   59    54    61    71   0.33900  1.0 1.0
   59    54    61    71   0.63800 -1.0 2.0
   60    59    66    43   3.00000 -1.0 2.0
   66    43    46    53   0.75000  1.0 1.0
   66    43    46    53  -0.75000 -1.0 2.0
   66    43   -46    54   0.00000  1.0 1.0
   61    54    59    60   0.00000  1.0 1.0
   61    54    59    66   0.36750  1.0 3.0
   61    71    75    76   0.15000  1.0 3.0
   61    71    75    77   0.15000  1.0 3.0
   61    71    75    78   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    70   0.15000  1.0 3.0
   62    61    71    72   0.15000  1.0 3.0
   62    61    71    73   0.15000  1.0 3.0
   62    61    71    75   0.15000  1.0 3.0
   67    61    71    72   0.15000  1.0 3.0
   67    61    71    73   0.15000  1.0 3.0
   67    61    71    75   0.65000  1.0 1.0
   67    61    71    75  -0.02500 -1.0 2.0
   67    61    71    75   0.10000  1.0 3.0
   71    61    67    68   0.15000  1.0 3.0
   71    61    67    69   0.15000  1.0 3.0
   71    61    67    70   0.15000  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   40    56    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   47    49    45    41   4.00000 -1.0 2.0
   56    48    47    45   1.10000 -1.0 2.0
   47    63    56    37   4.00000 -1.0 2.0
   54    53    46    43   1.00000 -1.0 2.0
   33    46    53    57   1.10000 -1.0 2.0
   65    58    57    53   1.10000 -1.0 2.0
   74    85    65    57   4.00000 -1.0 2.0
   79    38    74    65   4.00000 -1.0 2.0
   81    80    79    74   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    86    85    65   4.00000 -1.0 2.0
   33    74    38    39  10.50000 -1.0 2.0
   54    66    59    60  10.50000 -1.0 2.0
END
