* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    145    228     426
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034    95.44273    30.71875
    3     1 S   H    _H1_     3     1.02134    34.03202   146.37620
    4     1 S   H    _H2_     4     1.02154    84.46633   -77.62169
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C19    36     1.81800    98.26253   -78.12760
   34    33 S   HC   _H19    37     1.09428   108.04205    58.91380
   35    33 S   HC   _H20    38     1.09389   108.18406   -58.00144
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C18    39     1.51933   111.75904   179.96574
   40    39 S   HC   _H17    40     1.09504   112.40846   178.73855
   41    39 S   HC   _H18    41     1.09431   109.94838    58.37121
   42    39 S   NE   _N6_    42     1.48364   109.96448   -59.95616
   43    42 S   CA   _C16    43     1.43723   120.53646   -78.40891
   44    43 S   CA   _C12    44     1.40982   121.13969   179.94065
   45    44 S   CA   _C11    45     1.40220   120.73270   179.98022
   46    45 S   HA   _H15    46     1.08701   121.34243   179.98022
   47    44 S   CO4  _C13    71     1.47968   121.38486    -0.00000
   48    47 S   O    _O33    72     1.22156   122.95613   180.00000
   49    45 S   CA   _C10    47     1.39190   120.07866     0.03956
   50    49 S   F    F2__    48     1.34092   119.57210   180.00000
   51    47 S   CM   _C14    73     1.47386   114.37030     0.03956
   52    49 S   CA   _C9_    49     1.39086   119.88921    -0.05935
   53    42 S   CM   _C15    74     1.28791   120.00847   101.51223
   54    53 S   HC   _H16    75     1.10194   118.74565     0.10279
   55    51 S   CO3  _C20    76     1.51017   120.96453  -179.89913
   56    55 S   O2Z  _O35    77     1.26469   115.25339   179.87180
   57    55 S   O2Z  _O34    78     1.26484   115.26689    -0.03956
   58    43 S   CA   _C17    50     1.40474   120.69524    -0.04846
   59    58 S   F    F1__    51     1.34250   122.22884    -0.00000
   60    52 S   NE   _N5_    52     1.39921   119.79286   180.00000
   61    60 S   CT   _C6_    53     1.46894   117.60205   119.99076
   62    61 S   HC   _H9_    54     1.10027   110.43857    35.87440
   63    61 S   HC   _H10    55     1.10053   109.76331   -82.01301
   64    61 S   CT   _C5_    56     1.52301   110.65734   156.27359
   65    64 S   HC   _H7_    57     1.09405   110.73197   172.81526
   66    64 S   HC   _H8_    58     1.09547   111.83247   -64.58028
   67    64 S   NP   _N4_    59     1.50771   109.23784    54.38626
   68    67 S   H    _H6_    60     1.02987   107.64617    57.77219
   69    67 S   CT   _C8_    61     1.50761   110.92919   -59.64521
   70    69 S   HC   _H13    62     1.09682   107.49742   -62.07564
   71    69 S   HC   _H14    63     1.09485   107.70266   179.91607
   72    67 S   CT   _C4_    67     1.50264   111.92683   174.60442
   73    72 S   HC   _H3_    68     1.09114   107.80290    62.52971
   74    72 S   HC   _H4_    69     1.09154   107.80633  -177.37930
   75    72 S   HC   _H5_    70     1.09221   107.76654   -57.41647
   76    60 S   CT   _C7_    64     1.46683   119.60156   -29.87039
   77    76 S   HC   _H11    65     1.10053   109.76987    81.21363
   78    76 S   HC   _H12    66     1.09941   110.47953   -36.65158
  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   5  11   5   1   2   1   1   4   1  13  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    58    51    53    54  
   41    42    43    53  
   42    43    53  
   43    44    45    52    58    59    47    51    53    54    55  
   44    45    46    49    52    58    59    60    47    48    51    53    54  
   45    46    49    50    52    58    59    47    48    51    53    55  
   46    49    50    52    58    60    47    48    51  
   49    50    52    47  
   48    51    53    54    55    56    57    49    58  
   51    53    55  
   50    52    58    59    60    61    76  
   52    58    60  
   53    54    55    56    57  
   58    59    60    61    62    63    64    69    76    77    78  
   54    55    56    57    58  
   55  
   56    57  
   57  
    0  
   59    60    61    76  
   60  
   61    62    63    64    65    66    67    69    70    71    76    77    78  
   62    63    64    65    66    67    68    69    76    77    78    72  
   63    64    65    66    67    76  
   64    65    66    67    76  
   65    66    67    68    69    70    71    76    72    73    74    75  
   66    67    68    69    72  
   67    68    69    72  
   68    69    70    71    76    77    78    72    73    74    75  
   69    70    71    76    72    73    74    75  
   70    71    76    77    78    72    73    74    75  
   71    76    77    78    72  
   76    77    78    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78  
   78  
    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  -0.310300   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   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   59   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660   0.150000   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   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   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    58   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    58   469.000  1.400
   52    60   481.000  1.340
   58    59   420.000  1.354
   60    61   382.000  1.448
   60    76   382.000  1.448
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   367.000  1.471
   67    68   434.000  1.010
   67    69   367.000  1.471
   67    72   367.000  1.471
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   47    48   570.000  1.229
   47    51   320.000  1.462
   51    53   549.000  1.340
   51    55   230.000  1.545
   53    54   340.000  1.080
   55    56   656.000  1.250
   55    57   656.000  1.250
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    58    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    58    52    63.00000  120.00000
   43    58    59    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    58    63.00000  120.00000
   49    52    60    70.00000  120.10000
   52    49    50    80.00000  120.00000
   52    58    59    80.00000  120.00000
   52    60    61    50.00000  120.00000
   52    60    76    50.00000  120.00000
   58    43    44    63.00000  120.00000
   60    52    58    70.00000  120.10000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    80.00000  111.61500
   60    76    69    80.00000  111.61500
   60    76    77    35.00000  109.50000
   60    76    78    35.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    80.00000  111.20000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    35.00000  109.50000
   64    67    69    75.00000  113.01200
   64    67    72    75.00000  113.01200
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    76    80.00000  111.20000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   69    67    68    35.00000  109.50000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   71    69    70    33.00000  107.80000
   76    60    61    50.00000  115.00000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   78    76    77    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    75.00000  113.01200
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    85.00000  113.83300
   51    55    57    85.00000  113.83300
   53    42    43    75.00000  121.78000
   55    51    53    55.00000  124.75400
   57    55    56    80.00000  126.00000
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    58  -1.00000  1.0 1.0
   39    42    43    58   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    58    52   3.62500 -1.0 2.0
   42    43    58    59   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    58    52   3.62500 -1.0 2.0
   44    43    58    59   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    58   3.62500 -1.0 2.0
   45    49    52    60   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   -58    43   3.62500 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   49    52    60    61  -1.00000  1.0 1.0
   49    52    60    61   1.25000 -1.0 2.0
   49    52    60    76  -1.00000  1.0 1.0
   49    52    60    76   1.25000 -1.0 2.0
   50    49    52    58   3.62500 -1.0 2.0
   50    49    52    60   3.62500 -1.0 2.0
   52    60    61    62   0.00000  1.0 1.0
   52    60    61    63   0.00000  1.0 1.0
   52    60    61    64  -0.12500  1.0 1.0
   52    60    61    64  -0.12500 -1.0 2.0
   52    60    61    64   0.25000  1.0 3.0
   52    60    76    69  -0.12500  1.0 1.0
   52    60    76    69  -0.12500 -1.0 2.0
   52    60    76    69   0.25000  1.0 3.0
   52    60    76    77   0.00000  1.0 1.0
   52    60    76    78   0.00000  1.0 1.0
   58    43   -44    45   3.62500 -1.0 2.0
   58    43    44    47   3.62500 -1.0 2.0
   58    52    60    61  -1.00000  1.0 1.0
   58    52    60    61   1.25000 -1.0 2.0
   58    52    60    76  -1.00000  1.0 1.0
   58    52    60    76   1.25000 -1.0 2.0
   60    52    58    43   3.62500 -1.0 2.0
   60    52    58    59   3.62500 -1.0 2.0
   60    61    64    65   0.22950  1.0 3.0
   60    61    64    66   0.22950  1.0 3.0
   60    61    64    67   2.45700  1.0 1.0
   60    61    64    67   1.17300 -1.0 2.0
   61    60    76    69   0.00000  1.0 1.0
   61    60    76    77   0.00000  1.0 1.0
   61    60    76    78   0.00000  1.0 1.0
   61    64    67    68   0.17350  1.0 3.0
   61    64   -67    69   0.47100  1.0 1.0
   61    64    67    72   0.47100  1.0 1.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.19200  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.19200  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    76   0.47100  1.0 1.0
   64    67    72    73   0.15000  1.0 3.0
   64    67    72    74   0.15000  1.0 3.0
   64    67    72    75   0.15000  1.0 3.0
   65    64    67    68   0.13050  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    72   0.15000  1.0 3.0
   66    64    67    68   0.13050  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    72   0.15000  1.0 3.0
   67    69   -76    60   2.45700  1.0 1.0
   67    69   -76    60   1.17300 -1.0 2.0
   67    69    76    77   0.19200  1.0 3.0
   67    69    76    78   0.19200  1.0 3.0
   68    67    69    70   0.13050  1.0 3.0
   68    67    69    71   0.13050  1.0 3.0
   68    67    69    76   0.17350  1.0 3.0
   68    67    72    73   0.13050  1.0 3.0
   68    67    72    74   0.13050  1.0 3.0
   68    67    72    75   0.13050  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   70    69    76    60   0.22950  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   71    69    76    60   0.22950  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    78   0.15000  1.0 3.0
   76    60    61    62   0.00000  1.0 1.0
   76    60    61    63   0.00000  1.0 1.0
   76    60   -61    64   0.00000  1.0 1.0
   72    67    69    70   0.15000  1.0 3.0
   72    67    69    71   0.15000  1.0 3.0
   72    67    69    76   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   1.68800 -1.0 2.0
   47    51    55    57   1.68800 -1.0 2.0
   48    47    51    53   1.00000 -1.0 2.0
   48    47    51    55   2.50000 -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    58   0.70250  1.0 1.0
   53    42    43    58   1.56150 -1.0 2.0
   53    51    55    56  -0.04000 -1.0 2.0
   53    51    55    56  -0.29050  1.0 3.0
   53    51    55    57  -0.04000 -1.0 2.0
   53    51    55    57  -0.29050  1.0 3.0
   55    51    53    42   7.00000 -1.0 2.0
   55    51    53    54   7.00000 -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    58    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
   58    60    52    49   4.00000 -1.0 2.0
   52    59    58    43   4.00000 -1.0 2.0
   76    52    60    61   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
   56    51    55    57  10.50000 -1.0 2.0
END
