* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    143    232     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050   103.38164   -38.84190
    3     1 S   H    _H1_     3     1.02104    71.30377    66.63607
    4     1 S   H    _H2_     4     1.02106    42.21754  -141.98368
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C16    36     1.83591    97.68567   -78.13549
   34    33 S   HC   _H5_    37     1.10754   105.11853    42.51727
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C12    38     1.51575   109.48379   159.96608
   39    38 S   CT   _C13    39     1.51030   116.53071    78.71475
   40    39 S   HC   _H10    40     1.09790   110.74273   171.06968
   41    39 S   HC   _H11    41     1.09734   109.08572   -72.78443
   42    38 S   CM   _C11    55     1.34233   121.80984  -104.13264
   43    42 S   HC   _H9_    56     1.07933   121.25218     3.18346
   44    39 S   CT   _C14    42     1.52647   111.10655    49.38595
   45    44 S   HC   _H3_    43     1.09556   111.83043    65.19710
   46    42 S   CG   _C10    57     1.46435   118.24185  -176.90105
   47    46 S   HC   _H8_    58     1.10042   119.65188   -30.05173
   48    44 S   NP   _N5_    44     1.50000   108.98993   -53.56774
   49    48 S   H    _H12    45     1.02915   109.13951  -177.71638
   50    48 S   H    _H13    46     1.03012   109.12349   -62.88975
   51    44 S   CO3  _C18    52     1.51407   106.68455  -175.76372
   52    51 S   O2Z  _O40    53     1.26257   115.25964    59.08080
   53    51 S   O2Z  _O39    54     1.26243   114.84530  -120.86064
   54    46 S   NIP  _N4_    59     1.28037   122.44182   149.98810
   55    33 S   CT   _C15    47     1.53544   111.13991   -75.04599
   56    55 S   HC   _H4_    48     1.09521   111.81390    40.15907
   57    54 S   CM   _C6_    60     1.41112   124.87233   179.93147
   58    55 S   CO3  _C17    49     1.52023   109.60127   157.19561
   59    58 S   O2Z  _O38    50     1.26218   115.31441   149.25178
   60    58 S   O2Z  _O37    51     1.26313   114.81306   -30.69310
   61    57 S   CM   _C5_    61     1.33694   111.65708  -175.38319
   62    61 S   CM   _C4_    62     1.42469   123.34879   179.76179
   63    62 S   HC   _H7_    63     1.08308   119.94505  -179.85463
   64    61 S   CT   _C20    71     1.49272   111.53724     0.56371
   65    64 S   HC   _H14    72     1.09559   110.37914   114.63100
   66    64 S   HC   _H15    73     1.09607   111.65503  -124.86936
   67    62 S   CM   _C8_    64     1.33359   116.99499    -0.02798
   68    54 S   CT1  _C19    74     1.49766   126.96583     2.16075
   69    68 S   HC   _H6_    75     1.09458   108.78798    52.37266
   70    67 S   OS   _O34    65     1.41130   122.86138     0.12033
   71    67 S   CO3  _C9_    68     1.50962   120.46311  -179.85463
   72    71 S   O2Z  _O36    69     1.26481   115.26349  -179.97202
   73    71 S   O2Z  _O35    70     1.26460   115.26033    -0.07913
   74    68 S   CO3  _C21    76     1.51484   107.84858   -68.40232
   75    74 S   O2Z  _O42    77     1.26177   115.30332   -60.77999
   76    74 S   O2Z  _O41    78     1.26314   114.78347   119.31973
   77    57 S   CO4  _C7_    66     1.48443   128.89053     4.81007
   78    77 S   O    _O33    67     1.22545   123.45169     0.76592
  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   9   5   4   3
  17   7   2   1   1  15  14   6   5   8   3  10   7   9   3  10
   5   4   3   1   1  14   4   3  13   2   1   1  13  11   4   9
   4   3   6   5   3   5   3   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    50    55    56    58    59    60    42    43    46  
   38    39    48    55    56    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    56    58    51    42    43    46    47    54  
   40    41    44    45    48    49    50    55    51    52    53    42    43    46  
   41    44    45    48    51    42  
   44    45    48    51    42  
   43    46    47    54    57    68    44    55  
   46    47    54  
   45    48    49    50    55    56    58    51    52    53  
   48    49    50    55    51    52    53  
   47    54    57    61    77    64    68    69    74  
   54    57    68  
   49    50    55    56    58    59    60    51    52    53  
   50    55    56    58    51  
   55    56    58    51  
   52    53    55  
   53  
    0  
   57    61    62    70    77    78    64    65    66    68    69    74    75    76  
   56    58    59    60  
   58    59    60  
   61    62    63    67    70    77    78    64    65    66    68    69    74  
   59    60  
   60  
    0  
   62    63    67    70    77    78    71    64    65    66    68    69    74  
   63    67    70    77    71    72    73    64    65    66    68  
   67    70    71    64  
   65    66    68    69    74    75    76    67    77  
   66    68    69    74  
   68    69    74  
   70    77    78    71    72    73  
   69    74    75    76    77  
   74    75    76  
   77    78    71    72    73  
   72    73    77  
   73  
    0  
   75    76  
   76  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700   0.135000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   52   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   54   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   59   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   60   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    55   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   367.000  1.471
   44    51   317.000  1.522
   48    49   434.000  1.010
   48    50   434.000  1.010
   48    55   367.000  1.471
   55    56   340.000  1.090
   55    58   317.000  1.522
   58    59   656.000  1.250
   58    60   656.000  1.250
   51    52   656.000  1.250
   51    53   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    54   635.000  1.286
   54    57   335.000  1.413
   54    68   280.000  1.462
   57    61   549.000  1.340
   57    77   320.000  1.462
   61    62   380.000  1.444
   61    64   317.000  1.510
   62    63   340.000  1.080
   62    67   549.000  1.340
   67    70   440.000  1.360
   67    71   230.000  1.545
   70    77   214.000  1.327
   77    78   570.000  1.229
   71    72   656.000  1.250
   71    73   656.000  1.250
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    74   317.000  1.522
   74    75   656.000  1.250
   74    76   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    80.00000  111.20000
   33    55    56    37.50000  110.70000
   33    55    58    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.20000
   39    44    51    70.00000  109.69300
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    55    75.00000  113.01200
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    55    56    35.00000  109.50000
   48    55    58    80.00000  109.26000
   50    48    49    35.00000  109.50000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   55    58    59    70.00000  117.00000
   55    58    60    70.00000  117.00000
   58    55    56    35.00000  109.50000
   60    58    59    80.00000  126.00000
   51    44    45    35.00000  109.50000
   51    44    48    80.00000  109.26000
   53    51    52    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    54    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    54    57    70.00000  118.46000
   46    54    68    70.00000  122.59000
   54    46    47    45.00000  118.03900
   54    57    61    70.00000  113.56000
   54    57    77    70.00000  120.00000
   54    68    64    75.00000  111.57000
   54    68    69    50.00000  106.46400
   54    68    74    75.00000  110.00000
   57    61    62    70.00000  123.01800
   57    61    64    70.00000  124.00000
   57    77    70    90.00000  111.29400
   57    77    78    80.00000  123.72100
   61    62    63    35.00000  120.00000
   61    62    67    70.00000  123.01800
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    68    70.00000  112.02700
   62    67    70    80.00000  120.01400
   62    67    71    55.00000  124.75400
   67    62    63    35.00000  120.00000
   67    70    77    90.00000  114.22900
   67    71    72    85.00000  113.83300
   67    71    73    85.00000  113.83300
   70    77    78    83.00000  123.40000
   77    57    61    65.00000  118.96000
   71    67    70    80.00000  119.00000
   73    71    72    80.00000  126.00000
   64    61    62    70.00000  124.00000
   64    68    69    37.50000  110.70000
   64    68    74    63.00000  111.10000
   66    64    65    33.00000  107.80000
   68    54    57    70.00000  121.00000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    74    75    70.00000  117.00000
   68    74    76    70.00000  117.00000
   74    68    69    35.00000  109.50000
   76    74    75    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.56750  1.0 1.0
   29    33    55    48  -0.07550 -1.0 2.0
   29    33    55    48   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    58    59   0.41150 -1.0 2.0
   33    55    58    60   0.41150 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    48   0.19200  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58  -0.11250  1.0 3.0
   38    33    55    48  -0.47300  1.0 1.0
   38    33    55    48   0.29700 -1.0 2.0
   38    33    55    48   0.83300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58  -0.98800  1.0 1.0
   38    33    55    58   0.48800 -1.0 2.0
   38    33    55    58   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48  -0.47300  1.0 1.0
   38    39   -44    48   0.29700 -1.0 2.0
   38    39   -44    48   0.83300  1.0 3.0
   38    39    44    51  -0.98800  1.0 1.0
   38    39    44    51   0.48800 -1.0 2.0
   38    39    44    51   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    54   1.09700  1.0 1.0
   38    42    46    54   0.56350 -1.0 2.0
   38    42    46    54   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.17350  1.0 3.0
   39    44    48    50   0.17350  1.0 3.0
   39    44    48    55   0.47100  1.0 1.0
   39    44    51    52   0.41150 -1.0 2.0
   39    44    51    53   0.41150 -1.0 2.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.19200  1.0 3.0
   40    39    44    51  -0.11250  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.19200  1.0 3.0
   41    39    44    51  -0.11250  1.0 3.0
   44    48   -55    33   0.47100  1.0 1.0
   44    48    55    56   0.15000  1.0 3.0
   44    48    55    58   0.47100  1.0 1.0
   45    44    48    49   0.13050  1.0 3.0
   45    44    48    50   0.13050  1.0 3.0
   45    44    48    55   0.15000  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   48    44    51    52   0.30150 -1.0 2.0
   48    44    51    53   0.30150 -1.0 2.0
   48    55    58    59   0.30150 -1.0 2.0
   48    55    58    60   0.30150 -1.0 2.0
   49    48    55    33   0.17350  1.0 3.0
   49    48    55    56   0.13050  1.0 3.0
   49    48    55    58   0.17350  1.0 3.0
   50    48    55    33   0.17350  1.0 3.0
   50    48    55    56   0.13050  1.0 3.0
   50    48    55    58   0.17350  1.0 3.0
   55    33   -38    39   0.46850  1.0 1.0
   55    33   -38    39   0.08550 -1.0 2.0
   55    33   -38    39   0.09800  1.0 3.0
   55    33    38    42   0.09850  1.0 1.0
   55    33    38    42   0.15250 -1.0 2.0
   55    33    38    42  -0.50650  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   51    44    48    49   0.17350  1.0 3.0
   51    44    48    50   0.17350  1.0 3.0
   51    44    48    55   0.47100  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    54    57   2.00000 -1.0 2.0
   42    46    54    68   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    54   0.97550 -1.0 2.0
   46    54    57    61   5.00000 -1.0 2.0
   46    54    57    77   5.00000 -1.0 2.0
   46    54    68    64   0.00000  1.0 1.0
   46    54    68    69  -0.22200  1.0 3.0
   46    54    68    74   0.00000  1.0 1.0
   47    46    54    57   2.00000 -1.0 2.0
   47    46    54    68   2.00000 -1.0 2.0
   54    57    61    62   7.00000 -1.0 2.0
   54    57   -61    64   7.00000 -1.0 2.0
   54    57    77    70   1.50000 -1.0 2.0
   54    57    77    78  -0.52200  1.0 1.0
   54    57    77    78   0.82950 -1.0 2.0
   54    68    74    75   0.30150 -1.0 2.0
   54    68    74    76   0.30150 -1.0 2.0
   57    54   -68    64   0.00000  1.0 1.0
   57    54    68    69   0.00000  1.0 1.0
   57    54    68    74   0.00000  1.0 1.0
   57    61    62    63  -0.18600  1.0 3.0
   57    61    62    67   0.28850  1.0 1.0
   57    61    62    67   2.61350 -1.0 2.0
   57    61    62    67   0.78400  1.0 3.0
   57    61    64    65   0.00000  1.0 1.0
   57    61    64    66   0.00000  1.0 1.0
   57    61   -64    68   0.09850  1.0 1.0
   57    61   -64    68   0.15250 -1.0 2.0
   57    61   -64    68  -0.50650  1.0 3.0
   61    57    77    70  -0.56150  1.0 1.0
   61    57    77    70   2.19150 -1.0 2.0
   61    57    77    78   1.00000 -1.0 2.0
   61    62   -67    70   7.00000 -1.0 2.0
   61    62    67    71   7.00000 -1.0 2.0
   61    64   -68    54   0.56750  1.0 1.0
   61    64   -68    54  -0.07550 -1.0 2.0
   61    64   -68    54   0.20000  1.0 3.0
   61    64    68    69   0.15000  1.0 3.0
   61    64    68    74  -0.98800  1.0 1.0
   61    64    68    74   0.48800 -1.0 2.0
   61    64    68    74   0.76800  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   62    61    64    68   0.98200  1.0 1.0
   62    61    64    68  -0.11900 -1.0 2.0
   62    61    64    68   0.24250  1.0 3.0
   62    67    70    77  -1.93650  1.0 1.0
   62    67    70    77   2.17750 -1.0 2.0
   62    67    70    77  -0.40250  1.0 3.0
   62    67    71    72  -0.04000 -1.0 2.0
   62    67    71    72  -0.29050  1.0 3.0
   62    67    71    73  -0.04000 -1.0 2.0
   62    67    71    73  -0.29050  1.0 3.0
   63    62    67    70   7.00000 -1.0 2.0
   63    62    67    71   7.00000 -1.0 2.0
   67    70   -77    57   2.00000 -1.0 2.0
   67    70    77    78   3.00000 -1.0 2.0
   70    67    71    72  -0.11900  1.0 1.0
   70    67    71    72   0.76850 -1.0 2.0
   70    67    71    72   0.14100  1.0 3.0
   70    67    71    73  -0.11900  1.0 1.0
   70    67    71    73   0.76850 -1.0 2.0
   70    67    71    73   0.14100  1.0 3.0
   77    57   -61    62   7.00000 -1.0 2.0
   77    57    61    64   7.00000 -1.0 2.0
   71    67    70    77   2.00000 -1.0 2.0
   64    61    62    63   0.00000  1.0 1.0
   64    61    62    67  -0.18600  1.0 3.0
   64    68    74    75   0.00000  1.0 1.0
   64    68    74    76   0.00000  1.0 1.0
   65    64    68    54   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    74  -0.03800  1.0 3.0
   66    64    68    54   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    74  -0.03800  1.0 3.0
   68    54   -57    61   5.00000 -1.0 2.0
   68    54    57    77   5.00000 -1.0 2.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   59    55    58    60  10.50000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    54  10.50000 -1.0 2.0
   57    68    54    46   1.00000 -1.0 2.0
   54    77    57    61   1.10000 -1.0 2.0
   62    64    61    57   1.10000 -1.0 2.0
   61    63    62    67   1.10000 -1.0 2.0
   71    70    67    62   1.10000 -1.0 2.0
   57    70    77    78  10.50000 -1.0 2.0
   72    67    71    73  10.50000 -1.0 2.0
   75    68    74    76  10.50000 -1.0 2.0
END
