* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    158    241     465
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02004    63.66148    76.54288
    3     1 S   H    _H1_     3     1.02079    48.76235  -128.06799
    4     1 S   H    _H2_     4     1.02052   105.81352   -26.88605
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.85042    97.26245   161.85197
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.54166   108.26429    40.00461
   38    37 S   HC   _H14    38     1.09479   110.37421    44.77858
   39    37 S   HC   _H15    39     1.09547   109.37218   -72.45594
   40    33 S   CT   _C8_    50     1.54975   110.28397   161.21748
   41    40 S   HC   _H9_    51     1.09126   109.05870    63.28154
   42    33 S   CT   _C18    69     1.54226   105.46384   -78.26071
   43    42 S   HC   _H16    70     1.08825   108.49990   176.30271
   44    42 S   HC   _H17    71     1.08864   108.39999    57.20275
   45    37 S   CA   _C11    40     1.51069   113.51565   168.62897
   46    40 S   CO4  _C7_    52     1.50858   112.70748   -53.42082
   47    46 S   O    _O34    53     1.22973   120.84834   -63.14321
   48    42 S   CO4  _C19    72     1.51276   112.03573   -63.22327
   49    48 S   O    _O37    73     1.22996   122.77985    27.75501
   50    45 S   CA   _C12    41     1.40423   118.61718   160.77733
   51    50 S   HA   _H10    42     1.08858   119.83811    -1.38508
   52    46 S   CT   _C6_    54     1.51570   116.03648   118.80002
   53    52 S   HC   _H7_    55     1.09564   107.04799    60.06804
   54    52 S   HC   _H8_    56     1.09449   108.38164   -57.70836
   55    48 S   CT   _C20    74     1.51630   114.81105  -150.11090
   56    55 S   HC   _H18    75     1.09545   108.43192   -60.01323
   57    55 S   HC   _H19    76     1.09561   106.88918    57.59522
   58    50 S   CA   _C13    43     1.39422   120.80395   178.37779
   59    52 S   CO4  _C5_    57     1.51541   116.59501  -178.53233
   60    59 S   O    _O33    58     1.22996   123.07972     1.24080
   61    55 S   CO4  _C21    77     1.51648   116.58466   179.25113
   62    61 S   O    _O38    78     1.22964   122.23064     5.41743
   63    58 S   CA   _C14    44     1.39041   119.85778    -0.45628
   64    63 S   HA   _H11    45     1.08756   119.97235  -179.89913
   65    59 S   CT   _C4_    59     1.50663   116.05972   179.21167
   66    65 S   HC   _H4_    60     1.09371   109.73903    90.05406
   67    65 S   HC   _H5_    61     1.09327   109.56294  -150.39689
   68    65 S   HC   _H6_    62     1.09237   109.63012   -29.32769
   69    58 S   OH   _O36    67     1.36076   120.02136   179.74821
   70    69 S   HO   _H13    68     0.97029   110.32983     0.02798
   71    61 S   CT   _C22    79     1.51917   115.62248  -178.45225
   72    71 S   HC   _H20    80     1.09584   108.19822    59.98218
   73    71 S   HC   _H21    81     1.09598   106.52312   -57.37478
   74    63 S   CA   _C15    46     1.39356   119.89939    -0.09691
   75    71 S   CO4  _C23    82     1.51304   115.81889  -179.74283
   76    75 S   O    _O39    83     1.22426   124.24528   -30.85925
   77    45 S   CA   _C10    47     1.40692   121.89374   -21.91249
   78    74 S   OH   _O35    65     1.36558   117.77961  -178.71290
   79    78 S   HO   _H12    66     0.96911   110.06004    -0.01978
   80    75 S   S    _S1_    84     1.76882   113.22033   151.40039
   81    77 S   CT   _C9_    48     1.51168   122.14709     2.48483
   82    81 S   HC   _H3_    49     1.11557   106.89564  -132.89108
   83    80 S   CT   _C24    85     1.80632   100.48467   180.00000
   84    83 S   HC   _H22    86     1.09306   109.88370  -179.97202
   85    83 S   HC   _H23    87     1.09221   109.84899    60.05759
   86    83 S   HC   _H24    88     1.09361   109.86006   -59.94753
   87    81 S   OH   _O40    63     1.42851   108.22078   112.62317
   88    87 S   HO   _H25    64     0.96699   106.13127   180.00000
  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  13   5   4   3
  20   2   1   1  16   6   5  18   8  11   4   3  11  11   5   7
   4   9   4   9   4   3   8   4   3   7   5   4   7   4   8   4
   3   2   1   1   2   1   6   4   3   6   6   2   6   2   1   4
   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    81    40    41    46    42    43    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    50    77    81    82    40    41    46    47    52    87    42    43    44    48    49    55  
   35    36  
   36  
    0  
   38    39    45    50    51    58    74    77    81    40    41    46    42    43    44    48  
   39    45    50    77    40    42  
   45    50    77    40    42  
   41    46    47    52    53    54    59    87    88    42    43    44    48    45    74    77    81    82  
   46    47    52    87    42    77    81    82  
   43    44    48    49    55    56    57    61    45    46    81  
   44    48    49    55  
   48    49    55  
   50    51    58    63    74    77    81    82    87    78    69  
   47    52    53    54    59    60    65    87    77    81    82  
   52    53    54    59    81  
   49    55    56    57    61    62    71  
   55    56    57    61  
   51    58    63    64    74    77    81    69    70  
   58    63    77    69  
   53    54    59    60    65    66    67    68    81  
   54    59    60    65  
   59    60    65  
   56    57    61    62    71    72    73    75  
   57    61    62    71  
   61    62    71  
   63    64    74    77    78    69    70  
   60    65    66    67    68  
   65    66    67    68  
   62    71    72    73    75    76    80  
   71    72    73    75  
   64    74    77    81    78    79    69    70  
   74    77    78    69  
   66    67    68  
   67    68  
   68  
    0  
   70    74  
    0  
   72    73    75    76    80    83  
   73    75    76    80  
   75    76    80  
   77    81    82    87    78    79  
   76    80    83    84    85    86  
   80    83  
   81    82    87    88    78    79  
   79    81  
    0  
   83    84    85    86  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88  
    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   0.167500   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   81   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   317.000  1.510
   45    50   469.000  1.400
   45    77   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    63   469.000  1.400
   58    69   450.000  1.364
   63    64   367.000  1.080
   63    74   469.000  1.400
   74    77   469.000  1.400
   74    78   450.000  1.364
   77    81   317.000  1.510
   81    82   340.000  1.090
   81    40   268.000  1.529
   81    87   320.000  1.410
   40    41   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   317.000  1.522
   59    60   570.000  1.229
   59    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   87    88   553.000  0.945
   78    79   553.000  0.945
   69    70   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   570.000  1.229
   48    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   317.000  1.522
   61    62   570.000  1.229
   61    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   570.000  1.229
   75    80   210.000  1.799
   80    83   222.000  1.810
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    70.00000  112.17500
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    63.00000  111.10000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    48    63.00000  111.10000
   37    45    50    70.00000  120.00000
   37    45    77    70.00000  120.00000
   39    37    38    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    39    35.00000  109.50000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    77    74    63.00000  120.00000
   45    77    81    70.00000  120.00000
   50    58    63    63.00000  120.00000
   50    58    69    70.00000  120.00000
   58    50    51    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    74    63.00000  120.00000
   58    69    70    35.00000  113.00000
   63    74    77    63.00000  120.00000
   63    74    78    70.00000  120.00000
   74    63    64    35.00000  120.00000
   74    77    81    70.00000  120.00000
   74    78    79    35.00000  113.00000
   77    45    50    63.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    40    70.00000  112.17500
   77    81    87    90.00000  112.51600
   81    40    41    37.50000  110.70000
   81    40    46    63.00000  111.10000
   81    87    88    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    46    47    80.00000  120.40000
   40    46    52    70.00000  116.00000
   46    40    41    35.00000  109.50000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    59    75.00000  107.99600
   52    46    47    80.00000  120.40000
   52    59    60    80.00000  120.40000
   52    59    65    70.00000  116.00000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   65    59    60    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   87    81    82    35.00000  109.50000
   87    81    40    50.00000  109.50000
   78    74    77    70.00000  120.00000
   69    58    63    70.00000  120.00000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    48    49    80.00000  120.40000
   42    48    55    70.00000  116.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    61    75.00000  107.99600
   55    48    49    80.00000  120.40000
   55    61    62    80.00000  120.40000
   55    61    71    70.00000  116.00000
   57    55    56    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   61    71    72    35.00000  109.50000
   61    71    73    35.00000  109.50000
   61    71    75    75.00000  107.99600
   71    61    62    80.00000  120.40000
   71    75    76    80.00000  120.40000
   71    75    80    70.00000  114.16300
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   75    80    83    90.00000   96.72000
   80    75    76    80.00000  121.30200
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    86    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
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    45    50   0.04150 -1.0 2.0
   33    37    45    77   0.04150 -1.0 2.0
   33    40    46    47   0.30150 -1.0 2.0
   33    40    46    52   0.60050  1.0 1.0
   33    40    46    52   0.05600 -1.0 2.0
   33    40    46    52   0.26150  1.0 3.0
   33    42    48    49   0.30150 -1.0 2.0
   33    42    48    55   0.60050  1.0 1.0
   33    42    48    55   0.05600 -1.0 2.0
   33    42    48    55   0.26150  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46  -0.95700  1.0 1.0
   37    33    40    46  -0.18200 -1.0 2.0
   37    33    40    46   0.29450  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    48  -0.95700  1.0 1.0
   37    33    42    48  -0.18200 -1.0 2.0
   37    33    42    48   0.29450  1.0 3.0
   37    45    50    51   3.62500 -1.0 2.0
   37    45    50    58   3.62500 -1.0 2.0
   37    45    77    74   3.62500 -1.0 2.0
   37    45   -77    81   3.62500 -1.0 2.0
   38    37    45    50   0.00000  1.0 1.0
   38    37    45    77   0.00000  1.0 1.0
   39    37    45    50   0.00000  1.0 1.0
   39    37    45    77   0.00000  1.0 1.0
   45    50    58    63   3.62500 -1.0 2.0
   45    50    58    69   3.62500 -1.0 2.0
   45    77    81    82   0.00000  1.0 1.0
   45    77    81    40   0.04150 -1.0 2.0
   45    77    81    87   0.14300 -1.0 2.0
   45    77    81    87   0.00300  1.0 3.0
   50    45    77    74   3.62500 -1.0 2.0
   50    45    77    81   3.62500 -1.0 2.0
   50    58    63    64   3.62500 -1.0 2.0
   50    58   -63    74   3.62500 -1.0 2.0
   50    58    69    70   0.84100 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   51    50    58    69   3.62500 -1.0 2.0
   58    63    74    77   3.62500 -1.0 2.0
   58    63    74    78   3.62500 -1.0 2.0
   63    58    69    70   0.84100 -1.0 2.0
   63    74   -77    45   3.62500 -1.0 2.0
   63    74    77    81   3.62500 -1.0 2.0
   63    74    78    79   0.84100 -1.0 2.0
   64    63    74    77   3.62500 -1.0 2.0
   64    63    74    78   3.62500 -1.0 2.0
   74    77    81    82   0.00000  1.0 1.0
   74    77    81    40   0.04150 -1.0 2.0
   74    77    81    87   0.14300 -1.0 2.0
   74    77    81    87   0.00300  1.0 3.0
   77    45    50    51   3.62500 -1.0 2.0
   77    45   -50    58   3.62500 -1.0 2.0
   77    74    78    79   0.84100 -1.0 2.0
   77    81   -40    33  -0.03700  1.0 1.0
   77    81   -40    33   0.37200 -1.0 2.0
   77    81   -40    33  -0.47300  1.0 3.0
   77    81    40    41   0.43200  1.0 3.0
   77    81    40    46   0.56750  1.0 1.0
   77    81    40    46  -0.07550 -1.0 2.0
   77    81    40    46   0.20000  1.0 3.0
   77    81    87    88   0.31900  1.0 1.0
   77    81    87    88  -0.11800 -1.0 2.0
   77    81    87    88   0.38750  1.0 3.0
   81    40    46    47   0.30150 -1.0 2.0
   81    40    46    52   0.60050  1.0 1.0
   81    40    46    52   0.05600 -1.0 2.0
   81    40    46    52   0.26150  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    46  -0.11250  1.0 3.0
   82    81    87    88   0.19450  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    45  -0.03700  1.0 1.0
   40    33   -37    45   0.37200 -1.0 2.0
   40    33   -37    45  -0.47300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    48  -0.95700  1.0 1.0
   40    33    42    48  -0.18200 -1.0 2.0
   40    33    42    48   0.29450  1.0 3.0
   40    81    87    88  -0.11600  1.0 1.0
   40    81    87    88  -0.09450 -1.0 2.0
   40    81    87    88   0.21250  1.0 3.0
   40    46    52    53   0.00000  1.0 1.0
   40    46    52    54   0.00000  1.0 1.0
   40    46    52    59   0.65300  1.0 1.0
   40    46    52    59  -0.03850 -1.0 2.0
   40    46    52    59   0.33900  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    52   0.00000  1.0 1.0
   46    52    59    60   0.30150 -1.0 2.0
   46    52    59    65   0.65300  1.0 1.0
   46    52    59    65  -0.03850 -1.0 2.0
   46    52    59    65   0.33900  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.00000  1.0 1.0
   47    46    52    59   0.30150 -1.0 2.0
   52    59    65    66   0.00000  1.0 1.0
   52    59    65    67   0.00000  1.0 1.0
   52    59    65    68   0.00000  1.0 1.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.00000  1.0 1.0
   54    52    59    60   0.00000  1.0 1.0
   54    52    59    65   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    68   0.00000  1.0 1.0
   87    81    40    33   0.86500  1.0 1.0
   87    81    40    33  -0.17500 -1.0 2.0
   87    81    40    33   0.20800  1.0 3.0
   87    81    40    41   0.23400  1.0 3.0
   87    81    40    46  -0.09450  1.0 1.0
   87    81    40    46  -1.12950 -1.0 2.0
   87    81    40    46   0.54000  1.0 3.0
   78    74    77    45   3.62500 -1.0 2.0
   78    74    77    81   3.62500 -1.0 2.0
   69    58    63    64   3.62500 -1.0 2.0
   69    58    63    74   3.62500 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45  -0.03700  1.0 1.0
   42    33    37    45   0.37200 -1.0 2.0
   42    33    37    45  -0.47300  1.0 3.0
   42    33    40    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46  -0.95700  1.0 1.0
   42    33    40    46  -0.18200 -1.0 2.0
   42    33    40    46   0.29450  1.0 3.0
   42    48    55    56   0.00000  1.0 1.0
   42    48    55    57   0.00000  1.0 1.0
   42    48    55    61   0.65300  1.0 1.0
   42    48    55    61  -0.03850 -1.0 2.0
   42    48    55    61   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    55   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    55   0.00000  1.0 1.0
   48    55    61    62   0.30150 -1.0 2.0
   48    55    61    71   0.65300  1.0 1.0
   48    55    61    71  -0.03850 -1.0 2.0
   48    55    61    71   0.33900  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   49    48    55    61   0.30150 -1.0 2.0
   55    61    71    72   0.00000  1.0 1.0
   55    61    71    73   0.00000  1.0 1.0
   55    61    71    75   0.65300  1.0 1.0
   55    61    71    75  -0.03850 -1.0 2.0
   55    61    71    75   0.33900  1.0 3.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    71   0.00000  1.0 1.0
   57    55    61    62   0.00000  1.0 1.0
   57    55    61    71   0.00000  1.0 1.0
   61    71    75    76   0.30150 -1.0 2.0
   61    71    75    80   0.00000  1.0 1.0
   62    61    71    72   0.00000  1.0 1.0
   62    61    71    73   0.00000  1.0 1.0
   62    61    71    75   0.30150 -1.0 2.0
   71    75    80    83  -0.11550  1.0 1.0
   71    75    80    83   1.88700 -1.0 2.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    80   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    80   0.00000  1.0 1.0
   75    80    83    84   0.24000  1.0 3.0
   75    80    83    85   0.24000  1.0 3.0
   75    80    83    86   0.24000  1.0 3.0
   76    75    80    83  -0.11550  1.0 1.0
   76    75    80    83   1.88700 -1.0 2.0
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
   50    77    45    37   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   63    69    58    50   4.00000 -1.0 2.0
   74    64    63    58   1.10000 -1.0 2.0
   77    78    74    63   4.00000 -1.0 2.0
   74    81    77    45   4.00000 -1.0 2.0
   40    52    46    47  10.50000 -1.0 2.0
   52    65    59    60  10.50000 -1.0 2.0
   42    55    48    49  10.50000 -1.0 2.0
   55    71    61    62  10.50000 -1.0 2.0
   71    80    75    76  10.50000 -1.0 2.0
END
