* LIGAND DATABASE FILE (OPLS2005)
*
001      91    95    169    279     494
    1     0 S   NP   _N1_     1    29.03548    96.43113   -21.32981
    2     1 S   H    _HN1     2     1.02964    81.81236    40.83147
    3     1 S   H    _H1_     3     1.02842    41.76919   168.00448
    4     1 S   H    _H2_     4     1.02798    85.29873   -68.40861
    5     1 S   CT   _CA1     5     1.50038   152.41597   160.05375
    6     5 S   HC   _HA1     6     1.09585   105.25515    64.52854
    7     5 S   CO3  _C1_     7     1.53706   112.79175   -55.57949
    8     7 S   O2Z  _O11     8     1.26284   115.23697   -39.91293
    9     7 S   O2Z  _O12     9     1.26349   114.93981   140.08174
   10     5 S   CT   _CB1    10     1.53154   107.49202  -177.64001
   11    10 S   HC   HB11    11     1.09803   109.12772   -53.06729
   12    10 S   HC   HB12    12     1.09823   110.44231    63.41887
   13    10 S   CT   _CG1    13     1.52935   112.70613  -174.42926
   14    13 S   HC   HG11    14     1.09521   110.16979   -65.34096
   15    13 S   HC   HG12    15     1.09657   110.18224    53.70829
   16    13 S   C    _CD1    16     1.51741   112.65213   173.90754
   17    16 S   O    _OE1    17     1.22676   123.35245   -12.38130
   18    16 S   N    _N2_    18     1.38537   111.35789   168.82555
   19    18 S   H    _HN2    19     1.01493   119.11002    -0.32805
   20    18 S   CT1  _CA2    20     1.46175   123.80079   177.76866
   21    20 S   HC   _HA2    21     1.09671   109.44761    -6.49401
   22    20 S   C    _C2_    22     1.53711   109.23912  -122.91903
   23    22 S   O    _O2_    23     1.23058   121.84678  -162.87336
   24    20 S   CT   _CB2    32     1.53539   111.04120   115.97763
   25    24 S   HC   HB21    33     1.09412   108.83923    57.73038
   26    24 S   HC   HB22    34     1.09458   110.04671   176.16528
   27    22 S   N    _N3_    24     1.38168   114.11316    22.12478
   28    27 S   H    _HN3    25     1.01548   119.07943     0.81829
   29    24 S   S    _SG2    35     1.83212   111.49442   -63.72666
   30    27 S   CT   _CA3    26     1.45311   123.95467  -178.78099
   31    30 S   HC   HA31    27     1.09509   107.02163   -86.76001
   32    30 S   HC   HA32    28     1.09524   109.01881    30.27298
   33    29 S   CT   _C20    36     1.84508   102.27760   167.30560
   34    30 S   CO3  _C3_    29     1.53097   113.61029   152.66965
   35    34 S   O2Z  _O31    30     1.26426   116.07113     0.23985
   36    34 S   O2Z  _O32    31     1.26400   114.45796  -179.64557
   37    33 S   C5B  _C21    37     1.52244   111.86976   174.48079
   38    33 S   CM   _C17    52     1.52705   114.20944   -55.68167
   39    37 S   C5A  _C22    38     1.38712   125.94852  -134.17899
   40    39 S   HA   _H22    39     1.08159   131.12692     1.19698
   41    38 S   C5B  _C10    53     1.42366   120.62363   -69.98225
   42    38 S   CMA  _C18    86     1.34612   112.32689   114.09418
   43    42 S   OM   _O34    87     1.25296   137.52862   178.68851
   44    39 S   NA   _N7_    40     1.36527   109.32250  -178.44041
   45    44 S   H    _H23    41     1.01050   124.93361   179.91607
   46    41 S   C5A  _C9_    54     1.37651   125.29357    82.56117
   47    46 S   HA   _H16    55     1.08116   131.22021    -0.16071
   48    42 S   N    _N6_    88     1.36427   108.44034    -0.84604
   49    48 S   H    _H21    89     1.01182   122.09023  -179.76261
   50    44 S   C56A _C23    42     1.37151   110.23931     1.10712
   51    46 S   NA   _N5_    56     1.37165   107.89418   179.78602
   52    33 S   C    _C19    90     1.54351   106.92837    52.75724
   53    52 S   O    _O33    91     1.22350   126.82508    60.41530
   54    50 S   CA   _C28    43     1.40053   129.58988   178.83618
   55    54 S   HA   _H27    44     1.08506   121.34035     0.33920
   56    51 S   C56A _C12    57     1.38100   110.28255     0.13988
   57    51 S   CT   _C8_    67     1.45531   124.18507   178.37635
   58    57 S   HC   _H14    68     1.09602   106.90340  -139.76164
   59    57 S   HC   _H15    69     1.09292   107.47348   -25.42276
   60    54 S   CA   _C27    45     1.39573   117.84524  -179.35472
   61    60 S   HA   _H26    46     1.08682   119.54197   179.78971
   62    56 S   CA   _C13    58     1.40427   131.17774   179.39964
   63    62 S   HA   _H17    59     1.08509   121.51974    -0.12820
   64    57 S   CT   _C7_    70     1.53227   113.32799    98.86379
   65    64 S   HC   _H12    71     1.09691   109.38072    45.13134
   66    64 S   HC   _H13    72     1.09557   108.63816   160.80993
   67    60 S   CA   _C26    47     1.39011   120.75999    -0.07662
   68    67 S   HA   _H25    48     1.08676   119.84858   179.77445
   69    62 S   CA   _C14    60     1.39754   118.17176   179.83929
   70    69 S   HA   _H18    61     1.08698   119.41925   179.93439
   71    64 S   CT   _C6_    73     1.53010   114.03571   -76.15601
   72    71 S   HC   _H10    74     1.09416   111.12087    44.63051
   73    71 S   HC   _H11    75     1.09558   111.16017   165.01845
   74    67 S   CA   _C25    49     1.39979   120.64388    -0.10279
   75    74 S   HA   _H24    50     1.08529   118.67264   179.66023
   76    69 S   CA   _C15    62     1.39095   120.97046    -0.12820
   77    76 S   HA   _H19    63     1.08657   119.85529  -179.97202
   78    71 S   NP   _N4_    76     1.51649   111.13042   -75.76849
   79    78 S   H    _H6_    77     1.03271   108.77823    32.78669
   80    37 S   C56B _C24    51     1.44904   128.48827    48.86629
   81    76 S   CA   _C16    64     1.39779   120.57739     0.06561
   82    81 S   HA   _H20    65     1.08652   119.82430   179.83568
   83    78 S   CT   _C4_    78     1.50495   112.09886   149.94094
   84    83 S   HC   _H3_    79     1.09313   108.59668    62.12500
   85    83 S   HC   _H4_    80     1.09293   107.99335  -177.16344
   86    83 S   HC   _H5_    81     1.09249   108.01787   -58.46315
   87    78 S   CT   _C5_    82     1.50680   112.71048   -84.10843
   88    87 S   HC   _H7_    83     1.09334   108.63511   -63.30415
   89    87 S   HC   _H8_    84     1.09202   108.54623    57.49925
   90    87 S   HC   _H9_    85     1.09337   108.03213   176.41450
   91    41 S   C56B _C11    66     1.42679   126.91915   -98.30842
  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  16  15   8   4  14   7   3   7   3  10   4   3
   2   8  13   2   1   7   4  12  11   5   4   6   3   7   4   9
   5   4   4   3   6   3  12   5   4   2   1   4   3   9   8   1
   2   1   7   3   2   1   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    80    38    41    42    48    52    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    44    50    74    80    38    41    46    91    42    43    48    49    52    53  
   35    36  
   36  
    0  
   39    40    44    45    50    54    67    74    75    80    38    41    42    48    52    53  
   41    46    47    51    56    81    91    42    43    48    49    52    53    39    80  
   40    44    45    50    54    74    80    52  
   44    45    50    80  
   46    47    51    56    62    76    81    82    91    57    42    43    48    52  
   43    48    49    52    53    46    91  
   48    49    52  
   45    50    54    55    60    74    80  
   50    54    80  
   47    51    56    62    81    91    57    58    59    64  
   51    56    91    57  
   49    52    53  
   52    53  
   54    55    60    61    67    74    75    80  
   56    62    63    69    81    91    57    58    59    64    65    66    71  
   53    80  
    0  
   55    60    61    67    68    74    80  
   60    61    67    80  
   62    63    69    70    76    81    82    91    57    58    59    64  
   58    59    64    65    66    71    72    73    78    62    91  
   59    64    65    66    71  
   64    65    66    71  
   61    67    68    74    75    80  
   67    68    74  
   63    69    70    76    77    81    91  
   69    70    76    91  
   65    66    71    72    73    78    79    83    87  
   66    71    72    73    78  
   71    72    73    78  
   68    74    75    80  
   74    75    80  
   70    76    77    81    82    91  
   76    77    81  
   72    73    78    79    83    84    85    86    87    88    89    90  
   73    78    79    83    87  
   78    79    83    87  
   75    80  
   80  
   77    81    82    91  
   81    82    91  
   79    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
    0  
   82    91  
   91  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.223400   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  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0700  -0.119000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   45   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.822500   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   79   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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   295.000  1.494
   33    38   317.000  1.510
   33    52   317.000  1.522
   37    39   520.000  1.370
   37    80   380.000  1.440
   39    40   367.000  1.080
   39    44   427.000  1.381
   44    45   434.000  1.010
   44    50   428.000  1.380
   50    54   469.000  1.400
   50    80   447.000  1.419
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    74   469.000  1.400
   74    75   367.000  1.080
   74    80   469.000  1.404
   38    41   320.000  1.460
   38    42   465.000  1.376
   41    46   520.000  1.370
   41    91   380.000  1.440
   46    47   367.000  1.080
   46    51   427.000  1.381
   51    56   428.000  1.380
   51    57   320.000  1.443
   56    62   469.000  1.400
   56    91   447.000  1.419
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    70   367.000  1.080
   69    76   469.000  1.400
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    82   367.000  1.080
   81    91   469.000  1.404
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   367.000  1.471
   78    79   434.000  1.010
   78    83   367.000  1.471
   78    87   367.000  1.471
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   42    43   745.000  1.250
   42    48   400.000  1.384
   48    49   434.000  1.010
   48    52   490.000  1.335
   52    53   570.000  1.229
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    38    75.00000  112.20000
   29    33    52    70.00000  112.33000
   33    37    39    55.00000  127.77900
   33    37    80    55.00000  128.73000
   33    38    41    60.00000  124.00000
   33    38    42    70.00000  124.00000
   33    52    48    70.00000  116.60000
   33    52    53    80.00000  120.40000
   37    39    40    35.00000  130.70000
   37    39    44    70.00000  106.30000
   37    80    50    80.00000  107.43600
   37    80    74    50.00000  134.85500
   39    44    45    35.00000  120.00000
   39    44    50    90.00000  107.14200
   44    39    40    35.00000  121.60000
   44    50    54    70.00000  132.80000
   44    50    80    70.00000  104.40000
   50    44    45    35.00000  123.10000
   50    54    55    35.00000  120.00000
   50    54    60    85.00000  120.00000
   50    80    74    85.00000  116.20000
   54    60    61    35.00000  120.00000
   54    60    67    63.00000  120.00000
   60    54    55    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    74    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    74    75    35.00000  120.00000
   67    74    80    63.00000  120.00000
   74    67    68    35.00000  120.00000
   80    37    39    80.00000  105.82900
   80    50    54    85.00000  122.70000
   80    74    75    35.00000  120.00000
   38    33    37    70.00000  112.36000
   38    41    46    60.00000  118.70000
   38    41    91    60.00000  118.70000
   38    42    43    65.00000  137.10300
   38    42    48    75.00000  120.83300
   41    46    47    35.00000  130.70000
   41    46    51    70.00000  106.30000
   41    91    56    80.00000  107.43600
   41    91    81    50.00000  134.85500
   46    51    56    90.00000  107.14200
   46    51    57    65.00000  127.50000
   51    46    47    35.00000  121.60000
   51    56    62    70.00000  132.80000
   51    56    91    70.00000  104.40000
   51    57    58    50.00000  108.61900
   51    57    59    50.00000  108.61900
   51    57    64    75.00000  111.19500
   56    62    63    35.00000  120.00000
   56    62    69    85.00000  120.00000
   56    91    81    85.00000  116.20000
   62    69    70    35.00000  120.00000
   62    69    76    63.00000  120.00000
   69    62    63    35.00000  120.00000
   69    76    77    35.00000  120.00000
   69    76    81    63.00000  120.00000
   76    69    70    35.00000  120.00000
   76    81    82    35.00000  120.00000
   76    81    91    63.00000  120.00000
   81    76    77    35.00000  120.00000
   91    41    46    80.00000  105.82900
   91    56    62    85.00000  122.70000
   91    81    82    35.00000  120.00000
   57    51    56    65.00000  128.16600
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    71    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    78    80.00000  111.20000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    78    79    35.00000  109.50000
   71    78    83    75.00000  113.01200
   71    78    87    75.00000  113.01200
   73    71    72    33.00000  107.80000
   78    71    72    35.00000  109.50000
   78    71    73    35.00000  109.50000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   78    87    88    35.00000  109.50000
   78    87    89    35.00000  109.50000
   78    87    90    35.00000  109.50000
   83    78    79    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    78    79    35.00000  109.50000
   87    78    83    75.00000  113.01200
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   42    38    41    60.00000  123.66000
   42    48    49    45.00000  117.55000
   42    48    52    70.00000  120.89900
   48    42    43   110.00000  107.01400
   48    52    53    80.00000  122.90000
   52    33    37    70.00000  109.44300
   52    33    38    70.00000  115.00700
   52    48    49    35.00000  119.80000
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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    39  -0.16000  1.0 1.0
   29    33    37    39  -0.03200 -1.0 2.0
   29    33    37    39   0.04500  1.0 3.0
   29    33    37    80  -0.16000  1.0 1.0
   29    33    37    80  -0.03200 -1.0 2.0
   29    33    37    80   0.04500  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    52    48   0.00000  1.0 1.0
   29    33    52    53   0.30150 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    44   3.62500 -1.0 2.0
   33    37    80    50   3.62500 -1.0 2.0
   33    37    80    74   3.62500 -1.0 2.0
   33    38    41    46  -0.02500  1.0 1.0
   33    38    41    46  -0.32150 -1.0 2.0
   33    38    41    46  -0.01500  1.0 3.0
   33    38    41    91  -0.02500  1.0 1.0
   33    38    41    91  -0.32150 -1.0 2.0
   33    38    41    91  -0.01500  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38   -42    48   7.00000 -1.0 2.0
   37    33    38    41   0.09700  1.0 1.0
   37    33    38    41   0.15600 -1.0 2.0
   37    33    38    41  -0.50800  1.0 3.0
   37    33    38    42   1.44450  1.0 1.0
   37    33    38    42   0.06600 -1.0 2.0
   37    33    38    42   0.29250  1.0 3.0
   37    33    52    48   0.00000  1.0 1.0
   37    33    52    53   0.30150 -1.0 2.0
   37    39    44    45   1.40000 -1.0 2.0
   37    39   -44    50   3.62500 -1.0 2.0
   39    37   -80    50   3.50000 -1.0 2.0
   39    37    80    74   3.62500 -1.0 2.0
   39    44    50    54   3.62500 -1.0 2.0
   39    44   -50    80   3.62500 -1.0 2.0
   40    39    44    45   2.00000 -1.0 2.0
   40    39    44    50   3.62500 -1.0 2.0
   44    50    54    55   3.62500 -1.0 2.0
   44    50    54    60   3.62500 -1.0 2.0
   44    50   -80    37   3.00000 -1.0 2.0
   44    50    80    74   3.00000 -1.0 2.0
   45    44    50    54   1.52500 -1.0 2.0
   45    44    50    80   1.52500 -1.0 2.0
   50    54    60    61   3.62500 -1.0 2.0
   50    54    60    67   3.62500 -1.0 2.0
   54    50    80    37   3.00000 -1.0 2.0
   54    50    80    74   3.00000 -1.0 2.0
   54    60    67    68   3.62500 -1.0 2.0
   54    60   -67    74   3.62500 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    67   3.62500 -1.0 2.0
   60    67    74    75   3.62500 -1.0 2.0
   60    67    74    80   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    74   3.62500 -1.0 2.0
   67    74    80    37   3.62500 -1.0 2.0
   67    74   -80    50   3.50000 -1.0 2.0
   68    67    74    75   3.62500 -1.0 2.0
   68    67    74    80   3.62500 -1.0 2.0
   75    74    80    37   3.62500 -1.0 2.0
   75    74    80    50   3.50000 -1.0 2.0
   80    37    39    40   3.62500 -1.0 2.0
   80    37   -39    44   3.62500 -1.0 2.0
   80    50    54    55   3.62500 -1.0 2.0
   80    50   -54    60   3.62500 -1.0 2.0
   38    33    37    39   0.18050 -1.0 2.0
   38    33    37    80   0.18050 -1.0 2.0
   38    33   -52    48   0.00000  1.0 1.0
   38    33    52    53   0.30150 -1.0 2.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    51   3.62500 -1.0 2.0
   38    41    91    56   3.62500 -1.0 2.0
   38    41    91    81   3.62500 -1.0 2.0
   38    42    48    49   0.78350 -1.0 2.0
   38    42   -48    52  -0.18900  1.0 1.0
   38    42   -48    52   1.70900 -1.0 2.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    48   7.00000 -1.0 2.0
   41    46   -51    56   3.62500 -1.0 2.0
   41    46    51    57   3.62500 -1.0 2.0
   46    41   -91    56   3.50000 -1.0 2.0
   46    41    91    81   3.62500 -1.0 2.0
   46    51    56    62   3.62500 -1.0 2.0
   46    51   -56    91   3.62500 -1.0 2.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    59   0.00000  1.0 1.0
   46    51    57    64   1.10250  1.0 1.0
   46    51    57    64   0.01650 -1.0 2.0
   46    51    57    64   0.39100  1.0 3.0
   47    46    51    56   3.62500 -1.0 2.0
   47    46    51    57   3.62500 -1.0 2.0
   51    56    62    63   3.62500 -1.0 2.0
   51    56    62    69   3.62500 -1.0 2.0
   51    56   -91    41   3.00000 -1.0 2.0
   51    56    91    81   3.00000 -1.0 2.0
   51    57    64    65   0.15000  1.0 3.0
   51    57    64    66   0.15000  1.0 3.0
   51    57    64    71  -0.64600  1.0 1.0
   51    57    64    71   0.58400 -1.0 2.0
   56    51    57    58   0.00000  1.0 1.0
   56    51    57    59   0.00000  1.0 1.0
   56    51    57    64   1.10250  1.0 1.0
   56    51    57    64   0.01650 -1.0 2.0
   56    51    57    64   0.39100  1.0 3.0
   56    62    69    70   3.62500 -1.0 2.0
   56    62    69    76   3.62500 -1.0 2.0
   62    56    91    41   3.00000 -1.0 2.0
   62    56    91    81   3.00000 -1.0 2.0
   62    69    76    77   3.62500 -1.0 2.0
   62    69   -76    81   3.62500 -1.0 2.0
   63    62    69    70   3.62500 -1.0 2.0
   63    62    69    76   3.62500 -1.0 2.0
   69    76    81    82   3.62500 -1.0 2.0
   69    76    81    91   3.62500 -1.0 2.0
   70    69    76    77   3.62500 -1.0 2.0
   70    69    76    81   3.62500 -1.0 2.0
   76    81    91    41   3.62500 -1.0 2.0
   76    81   -91    56   3.50000 -1.0 2.0
   77    76    81    82   3.62500 -1.0 2.0
   77    76    81    91   3.62500 -1.0 2.0
   82    81    91    41   3.62500 -1.0 2.0
   82    81    91    56   3.50000 -1.0 2.0
   91    41    46    47   3.62500 -1.0 2.0
   91    41   -46    51   3.62500 -1.0 2.0
   91    56    62    63   3.62500 -1.0 2.0
   91    56   -62    69   3.62500 -1.0 2.0
   57    51    56    62   3.62500 -1.0 2.0
   57    51    56    91   3.62500 -1.0 2.0
   57    64    71    72   0.15000  1.0 3.0
   57    64    71    73   0.15000  1.0 3.0
   57    64    71    78   1.36600  1.0 1.0
   57    64    71    78  -0.11450 -1.0 2.0
   57    64    71    78   0.24250  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    71   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    71   0.15000  1.0 3.0
   64    71    78    79   0.17350  1.0 3.0
   64    71    78    83   0.47100  1.0 1.0
   64    71    78    87   0.47100  1.0 1.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    78   0.19200  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    78   0.19200  1.0 3.0
   71    78    83    84   0.15000  1.0 3.0
   71    78    83    85   0.15000  1.0 3.0
   71    78    83    86   0.15000  1.0 3.0
   71    78    87    88   0.15000  1.0 3.0
   71    78    87    89   0.15000  1.0 3.0
   71    78    87    90   0.15000  1.0 3.0
   72    71    78    79   0.13050  1.0 3.0
   72    71    78    83   0.15000  1.0 3.0
   72    71    78    87   0.15000  1.0 3.0
   73    71    78    79   0.13050  1.0 3.0
   73    71    78    83   0.15000  1.0 3.0
   73    71    78    87   0.15000  1.0 3.0
   79    78    83    84   0.13050  1.0 3.0
   79    78    83    85   0.13050  1.0 3.0
   79    78    83    86   0.13050  1.0 3.0
   79    78    87    88   0.13050  1.0 3.0
   79    78    87    89   0.13050  1.0 3.0
   79    78    87    90   0.13050  1.0 3.0
   83    78    87    88   0.15000  1.0 3.0
   83    78    87    89   0.15000  1.0 3.0
   83    78    87    90   0.15000  1.0 3.0
   87    78    83    84   0.15000  1.0 3.0
   87    78    83    85   0.15000  1.0 3.0
   87    78    83    86   0.15000  1.0 3.0
   42    38    41    46   0.15800  1.0 1.0
   42    38    41    46   1.85350 -1.0 2.0
   42    38    41    46  -0.48700  1.0 3.0
   42    38    41    91   0.15800  1.0 1.0
   42    38    41    91   1.85350 -1.0 2.0
   42    38    41    91  -0.48700  1.0 3.0
   42    48   -52    33   0.67100  1.0 1.0
   42    48   -52    33   1.42150 -1.0 2.0
   42    48   -52    33   0.18700  1.0 3.0
   42    48    52    53   2.67200 -1.0 2.0
   43    42    48    49   1.00000 -1.0 2.0
   43    42    48    52  -0.56400  1.0 1.0
   43    42    48    52   0.77500 -1.0 2.0
   43    42    48    52   0.18700  1.0 3.0
   49    48    52    33   2.45000 -1.0 2.0
   49    48    52    53   2.45000 -1.0 2.0
   52    33    37    39   0.04300 -1.0 2.0
   52    33    37    80   0.04300 -1.0 2.0
   52    33    38    41   0.09700  1.0 1.0
   52    33    38    41   0.15600 -1.0 2.0
   52    33    38    41  -0.50800  1.0 3.0
   52    33   -38    42  -0.51250  1.0 1.0
   52    33   -38    42  -0.88800 -1.0 2.0
   52    33   -38    42   0.08850  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   39    80    37    33   4.00000 -1.0 2.0
   44    40    39    37   1.10000 -1.0 2.0
   45    39    44    50   1.00000 -1.0 2.0
   54    80    50    44   4.00000 -1.0 2.0
   60    55    54    50   1.10000 -1.0 2.0
   67    61    60    54   1.10000 -1.0 2.0
   74    68    67    60   1.10000 -1.0 2.0
   80    75    74    67   1.10000 -1.0 2.0
   50    74    80    37   4.00000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   46    91    41    38   4.00000 -1.0 2.0
   51    47    46    41   1.10000 -1.0 2.0
   56    57    51    46   4.00000 -1.0 2.0
   62    91    56    51   4.00000 -1.0 2.0
   69    63    62    56   1.10000 -1.0 2.0
   76    70    69    62   1.10000 -1.0 2.0
   81    77    76    69   1.10000 -1.0 2.0
   91    82    81    76   1.10000 -1.0 2.0
   56    81    91    41   4.00000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   49    52    48    42   1.00000 -1.0 2.0
   33    48    52    53  10.50000 -1.0 2.0
END
