* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    146    230     430
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02083    90.36127    39.87527
    3     1 S   H    _H1_     3     1.02119    32.88135   165.41788
    4     1 S   H    _H2_     4     1.02131    90.19164   -68.81165
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01782
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.81800    98.26253   -78.12760
   34    33 S   HC   _H20    37     1.09477   108.48391    57.13476
   35    33 S   HC   _H21    38     1.09495   107.57063   -59.49752
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   39    33 S   CT   _C19    39     1.52267   112.23917  -180.00000
   40    39 S   HC   _H18    40     1.09513   109.38778  -179.95154
   41    39 S   HC   _H19    41     1.09518   111.95289    60.65294
   42    39 S   NE   _N6_    42     1.46156   112.98792   -61.48284
   43    42 S   CA   _C13    43     1.41489   119.90015   -75.16398
   44    43 S   CA   _C12    44     1.41550   119.54599  -179.96574
   45    44 S   CA   _C11    45     1.40142   121.45300  -179.98022
   46    45 S   HA   _H15    46     1.08686   121.35239   180.00000
   47    44 S   CO4  _C17    71     1.48685   119.88095     0.01978
   48    47 S   O    _O33    72     1.22481   121.53904   179.95577
   49    45 S   CA   _C10    47     1.39099   119.86598     0.00000
   50    49 S   F    F2__    48     1.34054   119.54738  -179.98022
   51    47 S   CM   _C16    73     1.48120   117.00853    -0.04423
   52    49 S   CA   _C9_    49     1.39082   119.86650     0.00000
   53    42 S   CM   _C15    74     1.38284   120.73485   104.86557
   54    53 S   HC   _H16    75     1.08600   113.09185    -0.06853
   55    51 S   C    _C18    76     1.46393   123.53653   179.87967
   56    55 S   O    _O34    77     1.21834   124.62973  -149.80527
   57    43 S   CA   _C14    50     1.40570   123.32012     0.06561
   58    57 S   F    F1__    51     1.34190   121.23835    -0.03956
   59    52 S   NE   _N5_    52     1.39921   119.80259  -179.90513
   60    55 S   OH   _O35    78     1.35117   109.59569    30.16742
   61    60 S   HO   _H17    79     0.98055   111.98064  -179.95154
   62    59 S   CT   _C6_    53     1.46906   117.63095   119.98719
   63    62 S   HC   _H9_    54     1.10001   110.43313    35.78824
   64    62 S   HC   _H10    55     1.10037   109.71911   -82.01588
   65    62 S   CT   _C5_    56     1.52210   110.64531   156.20087
   66    65 S   HC   _H7_    57     1.09551   110.73088   172.79658
   67    65 S   HC   _H8_    58     1.09612   111.88847   -64.65198
   68    65 S   NP   _N4_    59     1.50783   109.26150    54.36960
   69    68 S   H    _H6_    60     1.03018   107.61244    57.74530
   70    68 S   CT   _C8_    61     1.50720   110.91316   -59.67848
   71    70 S   HC   _H13    62     1.09597   107.51872   -62.07958
   72    70 S   HC   _H14    63     1.09517   107.73812   179.86583
   73    68 S   CT   _C4_    67     1.50223   111.92467   174.57975
   74    73 S   HC   _H3_    68     1.09124   107.83946    62.58908
   75    73 S   HC   _H4_    69     1.09210   107.83101  -177.35521
   76    73 S   HC   _H5_    70     1.09185   107.80985   -57.41152
   77    59 S   CT   _C7_    64     1.46633   119.58674   -29.98050
   78    77 S   HC   _H11    65     1.10026   109.74739    81.35721
   79    77 S   HC   _H12    66     1.10015   110.49776   -36.63519
  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   7   5   4   3
   8   5   4   2   1   1   9   4   3  11  13  12   9   4   9   3
   7   3   6  11   5   1   3   2   4   1  13   1   1  12   6   5
  12   5   4  11   8   9   5   4   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    57    51    53    54  
   41    42    43    53  
   42    43    53  
   43    44    45    52    57    58    47    51    53    54    55  
   44    45    46    49    52    57    58    59    47    48    51    53    54  
   45    46    49    50    52    57    58    47    48    51    53    55  
   46    49    50    52    57    59    47    48    51  
   49    50    52    47  
   48    51    53    54    55    56    60    49    57  
   51    53    55  
   50    52    57    58    59    62    77  
   52    57    59  
   53    54    55    56    60    61  
   57    58    59    62    63    64    65    70    77    78    79  
   54    55    56    60    57  
   55  
   56    60    61  
   60    61  
   58    59    62    77  
   59  
   62    63    64    65    66    67    68    70    71    72    77    78    79  
   61  
    0  
   63    64    65    66    67    68    69    70    77    78    79    73  
   64    65    66    67    68    77  
   65    66    67    68    77  
   66    67    68    69    70    71    72    77    73    74    75    76  
   67    68    69    70    73  
   68    69    70    73  
   69    70    71    72    77    78    79    73    74    75    76  
   70    71    72    77    73    74    75    76  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    73  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79  
   79  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.453300   1.9050   1.6860   0.051222218  -2.220205820
   43   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   57   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   382.000  1.448
   42    43   481.000  1.340
   42    53   425.000  1.378
   43    44   469.000  1.400
   43    57   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   420.000  1.354
   49    52   469.000  1.400
   52    57   469.000  1.400
   52    59   481.000  1.340
   57    58   420.000  1.354
   59    62   382.000  1.448
   59    77   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   367.000  1.471
   68    69   434.000  1.010
   68    70   367.000  1.471
   68    73   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   47    48   570.000  1.229
   47    51   320.000  1.462
   51    53   549.000  1.340
   51    55   410.000  1.444
   53    54   340.000  1.080
   55    56   570.000  1.229
   55    60   450.000  1.364
   60    61   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    80.00000  111.61500
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    50.00000  120.00000
   39    42    53    50.00000  121.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    70.00000  120.10000
   42    43    57    70.00000  120.10000
   42    53    51    70.00000  124.03900
   42    53    54    50.00000  112.30800
   43    44    45    63.00000  120.00000
   43    44    47    60.00000  119.52600
   43    57    52    63.00000  120.00000
   43    57    58    80.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    51    65.00000  117.02400
   45    49    50    80.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.10000
   52    49    50    80.00000  120.00000
   52    57    58    80.00000  120.00000
   52    59    62    50.00000  120.00000
   52    59    77    50.00000  120.00000
   57    43    44    63.00000  120.00000
   59    52    57    70.00000  120.10000
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    80.00000  111.61500
   59    77    70    80.00000  111.61500
   59    77    78    35.00000  109.50000
   59    77    79    35.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    80.00000  111.20000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    35.00000  109.50000
   65    68    70    75.00000  113.01200
   65    68    73    75.00000  113.01200
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    77    80.00000  111.20000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   70    68    69    35.00000  109.50000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   72    70    71    33.00000  107.80000
   77    59    62    50.00000  115.00000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   79    77    78    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    75.00000  113.01200
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   47    44    45    60.00000  119.52600
   47    51    53    65.00000  118.96000
   47    51    55    55.00000  123.68000
   51    47    48    80.00000  123.72100
   51    53    54    35.00000  120.00000
   51    55    56    80.00000  125.30000
   51    55    60    90.00000  111.55000
   53    42    43    75.00000  121.78000
   55    51    53    70.00000  118.70000
   55    60    61    35.00000  113.00000
   60    55    56   100.00000  123.32000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.12500  1.0 1.0
   33    39    42    43  -0.12500 -1.0 2.0
   33    39    42    43   0.25000  1.0 3.0
   33    39    42    53   0.25450  1.0 1.0
   33    39    42    53  -0.61700 -1.0 2.0
   33    39    42    53  -0.23550  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.22950  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.22950  1.0 3.0
   39    42    43    44  -1.00000  1.0 1.0
   39    42    43    44   1.25000 -1.0 2.0
   39    42    43    57  -1.00000  1.0 1.0
   39    42    43    57   1.25000 -1.0 2.0
   39    42    53    51  -0.54700  1.0 1.0
   39    42    53    51   1.23000 -1.0 2.0
   39    42    53    54   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    53   0.00000  1.0 1.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    47   3.62500 -1.0 2.0
   42    43    57    52   3.62500 -1.0 2.0
   42    43    57    58   3.62500 -1.0 2.0
   43    42    53    51  -0.54500  1.0 1.0
   43    42    53    51   1.14150 -1.0 2.0
   43    42    53    54   0.00000  1.0 1.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    49   3.62500 -1.0 2.0
   43    44    47    48   1.05000 -1.0 2.0
   43    44   -47    51  -0.11500  1.0 1.0
   43    44   -47    51   1.10450 -1.0 2.0
   43    44   -47    51  -0.48050  1.0 3.0
   44    43    57    52   3.62500 -1.0 2.0
   44    43    57    58   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    45   -49    52   3.62500 -1.0 2.0
   44    47    51    53  -1.65800  1.0 1.0
   44    47    51    53   0.77650 -1.0 2.0
   44    47    51    55   1.50000 -1.0 2.0
   45    44    47    48   1.05000 -1.0 2.0
   45    44    47    51  -0.11500  1.0 1.0
   45    44    47    51   1.10450 -1.0 2.0
   45    44    47    51  -0.48050  1.0 3.0
   45    49    52    57   3.62500 -1.0 2.0
   45    49    52    59   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   49    52   -57    43   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    62  -1.00000  1.0 1.0
   49    52    59    62   1.25000 -1.0 2.0
   49    52    59    77  -1.00000  1.0 1.0
   49    52    59    77   1.25000 -1.0 2.0
   50    49    52    57   3.62500 -1.0 2.0
   50    49    52    59   3.62500 -1.0 2.0
   52    59    62    63   0.00000  1.0 1.0
   52    59    62    64   0.00000  1.0 1.0
   52    59    62    65  -0.12500  1.0 1.0
   52    59    62    65  -0.12500 -1.0 2.0
   52    59    62    65   0.25000  1.0 3.0
   52    59    77    70  -0.12500  1.0 1.0
   52    59    77    70  -0.12500 -1.0 2.0
   52    59    77    70   0.25000  1.0 3.0
   52    59    77    78   0.00000  1.0 1.0
   52    59    77    79   0.00000  1.0 1.0
   57    43   -44    45   3.62500 -1.0 2.0
   57    43    44    47   3.62500 -1.0 2.0
   57    52    59    62  -1.00000  1.0 1.0
   57    52    59    62   1.25000 -1.0 2.0
   57    52    59    77  -1.00000  1.0 1.0
   57    52    59    77   1.25000 -1.0 2.0
   59    52    57    43   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   59    62    65    66   0.22950  1.0 3.0
   59    62    65    67   0.22950  1.0 3.0
   59    62    65    68   2.45700  1.0 1.0
   59    62    65    68   1.17300 -1.0 2.0
   62    59    77    70   0.00000  1.0 1.0
   62    59    77    78   0.00000  1.0 1.0
   62    59    77    79   0.00000  1.0 1.0
   62    65    68    69   0.17350  1.0 3.0
   62    65   -68    70   0.47100  1.0 1.0
   62    65    68    73   0.47100  1.0 1.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.19200  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.19200  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    70    72   0.15000  1.0 3.0
   65    68    70    77   0.47100  1.0 1.0
   65    68    73    74   0.15000  1.0 3.0
   65    68    73    75   0.15000  1.0 3.0
   65    68    73    76   0.15000  1.0 3.0
   66    65    68    69   0.13050  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    73   0.15000  1.0 3.0
   67    65    68    69   0.13050  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    73   0.15000  1.0 3.0
   68    70   -77    59   2.45700  1.0 1.0
   68    70   -77    59   1.17300 -1.0 2.0
   68    70    77    78   0.19200  1.0 3.0
   68    70    77    79   0.19200  1.0 3.0
   69    68    70    71   0.13050  1.0 3.0
   69    68    70    72   0.13050  1.0 3.0
   69    68    70    77   0.17350  1.0 3.0
   69    68    73    74   0.13050  1.0 3.0
   69    68    73    75   0.13050  1.0 3.0
   69    68    73    76   0.13050  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.15000  1.0 3.0
   71    70    77    59   0.22950  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   72    70    77    59   0.22950  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   77    59    62    63   0.00000  1.0 1.0
   77    59    62    64   0.00000  1.0 1.0
   77    59   -62    65   0.00000  1.0 1.0
   73    68    70    71   0.15000  1.0 3.0
   73    68    70    72   0.15000  1.0 3.0
   73    68    70    77   0.47100  1.0 1.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51   -53    42   7.00000 -1.0 2.0
   47    51    53    54   7.00000 -1.0 2.0
   47    51    55    56   2.50000 -1.0 2.0
   47    51    55    60   1.00000 -1.0 2.0
   48    47    51    53   1.00000 -1.0 2.0
   48    47    51    55   2.50000 -1.0 2.0
   51    55    60    61   1.22000  1.0 1.0
   51    55    60    61   0.17300 -1.0 2.0
   53    42   -43    44   0.70250  1.0 1.0
   53    42   -43    44   1.56150 -1.0 2.0
   53    42    43    57   0.70250  1.0 1.0
   53    42    43    57   1.56150 -1.0 2.0
   53    51    55    56   1.00000 -1.0 2.0
   53    51    55    60  -0.01000  1.0 1.0
   53    51    55    60   1.29850 -1.0 2.0
   53    51    55    60  -0.09550  1.0 3.0
   55    51    53    42   7.00000 -1.0 2.0
   55    51    53    54   7.00000 -1.0 2.0
   56    55    60    61   0.92200  1.0 1.0
   56    55    60    61   3.74100 -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
   37    30    36    38  10.50000 -1.0 2.0
   43    53    42    39   1.00000 -1.0 2.0
   44    57    43    42   4.00000 -1.0 2.0
   45    47    44    43   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   52    50    49    45   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    43   4.00000 -1.0 2.0
   77    52    59    62   1.00000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   47    55    51    53   1.10000 -1.0 2.0
   42    54    53    51   1.10000 -1.0 2.0
   51    60    55    56  10.50000 -1.0 2.0
END
