* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    140    225     413
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02059    86.12764    46.50222
    3     1 S   H    _H1_     3     1.02194    33.47468   179.68721
    4     1 S   H    _H2_     4     1.02043    94.09200   -62.04254
    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     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.82763    97.96167  -178.16528
   34    33 S   HC   _H4_    37     1.09696   106.67674   -40.73978
   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     1.51299   109.88630  -159.99760
   39    38 S   CT   _C13    39     1.51353   116.15639   -81.59725
   40    39 S   HC   _H9_    40     1.09808   108.79936    72.96947
   41    39 S   HC   _H10    41     1.09733   110.78485  -170.56085
   42    38 S   CM   _C11    54     1.34180   122.03881   101.69806
   43    42 S   HC   _H8_    55     1.08429   121.52927    -3.38830
   44    39 S   CT   _C14    42     1.53132   111.65013   -47.87349
   45    44 S   HC   _H3_    43     1.09552   109.17374   169.63056
   46    42 S   CG   _C10    56     1.46745   118.54597   176.45928
   47    46 S   HC   _H7_    57     1.09979   119.44749   -59.90643
   48    44 S   NP   _N5_    44     1.50643   109.94719    54.67455
   49    48 S   H    _H11    45     1.03023   109.14836   179.12464
   50    48 S   H    _H12    46     1.03062   109.14463    64.44013
   51    44 S   CO3  _C18    51     1.51963   111.11964   -73.42824
   52    51 S   O2Z  _O40    52     1.26216   115.32127   151.32788
   53    51 S   O2Z  _O39    53     1.26352   114.74898   -28.65780
   54    46 S   NIP  _N4_    58     1.28368   122.62450   120.02222
   55    33 S   CM   _C15    47     1.50922   109.44054    78.10953
   56    54 S   CM   _C6_    59     1.40930   124.73726  -179.94766
   57    55 S   CMA  _C16    48     1.34107   123.55432  -103.49188
   58    57 S   OM   _O37    49     1.38902   118.76863   179.94065
   59    57 S   OM   _O38    50     1.38790   118.84648     0.00000
   60    56 S   CM   _C5_    60     1.33766   111.58646  -175.36202
   61    60 S   CM   _C4_    61     1.42475   123.36988   179.74977
   62    61 S   HC   _H6_    62     1.08308   119.91832  -179.91607
   63    60 S   CT   _C20    70     1.49216   111.47258     0.45585
   64    63 S   HC   _H13    71     1.09575   110.40519   114.76246
   65    63 S   HC   _H14    72     1.09537   111.67701  -124.86280
   66    61 S   CM   _C8_    63     1.33385   116.97938    -0.18345
   67    54 S   CT1  _C19    73     1.49492   126.92500     2.19989
   68    67 S   HC   _H5_    74     1.09458   108.91237    52.39678
   69    66 S   OS   _O34    64     1.41025   122.87276     0.30390
   70    66 S   CO3  _C9_    67     1.50975   120.42230  -179.91153
   71    70 S   O2Z  _O36    68     1.26482   115.25910  -179.94405
   72    70 S   O2Z  _O35    69     1.26486   115.29224     0.11014
   73    67 S   CO3  _C21    75     1.51578   107.91102   -68.41640
   74    73 S   O2Z  _O42    76     1.26282   115.27536   -60.66571
   75    73 S   O2Z  _O41    77     1.26288   114.80216   119.33850
   76    56 S   CO4  _C7_    65     1.48460   128.98530     4.65711
   77    76 S   O    _O33    66     1.22459   123.50682     0.91172
  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   8   5   4   3
  16   6   2   1   1  14  14   6   5   8   3   9   7   9   3   9
   4   3   3   1   1  14   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    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    50    55    57    58    59    42    43    46  
   38    39    48    55    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    57    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    56    67    44    55  
   46    47    54  
   45    48    49    50    55    57    51    52    53  
   48    49    50    55    51    52    53  
   47    54    56    60    76    63    67    68    73  
   54    56    67  
   49    50    55    57    58    59    51    52    53  
   50    55    57    51  
   55    57    51  
   52    53    55  
   53  
    0  
   56    60    61    69    76    77    63    64    65    67    68    73    74    75  
   57    58    59  
   60    61    62    66    69    76    77    63    64    65    67    68    73  
   58    59  
   59  
    0  
   61    62    66    69    76    77    70    63    64    65    67    68    73  
   62    66    69    76    70    71    72    63    64    65    67  
   66    69    70    63  
   64    65    67    68    73    74    75    66    76  
   65    67    68    73  
   67    68    73  
   69    76    77    70    71    72  
   68    73    74    75    76  
   73    74    75  
   76    77    70    71    72  
   71    72    76  
   72  
    0  
   74    75  
   75  
    0  
   77  
    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   1.4250   1.2500   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   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   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   317.000  1.510
   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   280.000  1.473
   55    57   465.000  1.376
   57    58   745.000  1.250
   57    59   745.000  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    56   335.000  1.413
   54    67   280.000  1.462
   56    60   549.000  1.340
   56    76   320.000  1.462
   60    61   380.000  1.444
   60    63   317.000  1.510
   61    62   340.000  1.080
   61    66   549.000  1.340
   66    69   440.000  1.360
   66    70   230.000  1.545
   69    76   214.000  1.327
   76    77   570.000  1.229
   70    71   656.000  1.250
   70    72   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    73   317.000  1.522
   73    74   656.000  1.250
   73    75   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  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    80.00000  107.80000
   33    55    57    70.00000  124.00000
   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    70.00000  115.12000
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    55    57    65.00000  118.08000
   50    48    49    35.00000  109.50000
   55    33    34    35.00000  109.50000
   55    33    38    70.00000  110.12100
   55    48    49    50.00000  110.25200
   55    48    50    50.00000  110.25200
   55    57    58    65.00000  137.10300
   55    57    59    65.00000  137.10300
   59    57    58    65.00000  121.00000
   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    56    70.00000  118.46000
   46    54    67    70.00000  122.59000
   54    46    47    45.00000  118.03900
   54    56    60    70.00000  113.56000
   54    56    76    70.00000  120.00000
   54    67    63    75.00000  111.57000
   54    67    68    50.00000  106.46400
   54    67    73    75.00000  110.00000
   56    60    61    70.00000  123.01800
   56    60    63    70.00000  124.00000
   56    76    69    90.00000  111.29400
   56    76    77    80.00000  123.72100
   60    61    62    35.00000  120.00000
   60    61    66    70.00000  123.01800
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    67    70.00000  112.02700
   61    66    69    80.00000  120.01400
   61    66    70    55.00000  124.75400
   66    61    62    35.00000  120.00000
   66    69    76    90.00000  114.22900
   66    70    71    85.00000  113.83300
   66    70    72    85.00000  113.83300
   69    76    77    83.00000  123.40000
   76    56    60    65.00000  118.96000
   70    66    69    80.00000  119.00000
   72    70    71    80.00000  126.00000
   63    60    61    70.00000  124.00000
   63    67    68    37.50000  110.70000
   63    67    73    63.00000  111.10000
   65    63    64    33.00000  107.80000
   67    54    56    70.00000  121.00000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    73    74    70.00000  117.00000
   67    73    75    70.00000  117.00000
   73    67    68    35.00000  109.50000
   75    73    74    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  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  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   0.09700  1.0 1.0
   29    33    55    48   0.15600 -1.0 2.0
   29    33    55    48  -0.50800  1.0 3.0
   29    33    55    57   0.42700  1.0 1.0
   29    33    55    57  -0.70350 -1.0 2.0
   29    33    55    57  -0.43150  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    57    58   7.00000 -1.0 2.0
   33    55    57    59   7.00000 -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   0.00000  1.0 1.0
   34    33    55    57   0.00000  1.0 1.0
   38    33    55    48   0.09700  1.0 1.0
   38    33    55    48   0.15600 -1.0 2.0
   38    33    55    48  -0.50800  1.0 3.0
   38    33    55    57  -0.28300  1.0 1.0
   38    33    55    57   0.26700 -1.0 2.0
   38    33    55    57  -0.63300  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   0.00000  1.0 1.0
   44    48    55    57   0.00000  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    57    58   7.00000 -1.0 2.0
   48    55    57    59   7.00000 -1.0 2.0
   49    48    55    33   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   50    48    55    33   0.00000  1.0 1.0
   50    48    55    57   0.00000  1.0 1.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    42  -0.28300  1.0 1.0
   55    33    38    42   0.26700 -1.0 2.0
   55    33    38    42  -0.63300  1.0 3.0
   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    56   2.00000 -1.0 2.0
   42    46    54    67   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    56    60   5.00000 -1.0 2.0
   46    54    56    76   5.00000 -1.0 2.0
   46    54    67    63   0.00000  1.0 1.0
   46    54    67    68  -0.22200  1.0 3.0
   46    54    67    73   0.00000  1.0 1.0
   47    46    54    56   2.00000 -1.0 2.0
   47    46    54    67   2.00000 -1.0 2.0
   54    56    60    61   7.00000 -1.0 2.0
   54    56   -60    63   7.00000 -1.0 2.0
   54    56    76    69   1.50000 -1.0 2.0
   54    56    76    77  -0.52200  1.0 1.0
   54    56    76    77   0.82950 -1.0 2.0
   54    67    73    74   0.30150 -1.0 2.0
   54    67    73    75   0.30150 -1.0 2.0
   56    54   -67    63   0.00000  1.0 1.0
   56    54    67    68   0.00000  1.0 1.0
   56    54    67    73   0.00000  1.0 1.0
   56    60    61    62  -0.18600  1.0 3.0
   56    60    61    66   0.28850  1.0 1.0
   56    60    61    66   2.61350 -1.0 2.0
   56    60    61    66   0.78400  1.0 3.0
   56    60    63    64   0.00000  1.0 1.0
   56    60    63    65   0.00000  1.0 1.0
   56    60   -63    67   0.09850  1.0 1.0
   56    60   -63    67   0.15250 -1.0 2.0
   56    60   -63    67  -0.50650  1.0 3.0
   60    56    76    69  -0.56150  1.0 1.0
   60    56    76    69   2.19150 -1.0 2.0
   60    56    76    77   1.00000 -1.0 2.0
   60    61   -66    69   7.00000 -1.0 2.0
   60    61    66    70   7.00000 -1.0 2.0
   60    63   -67    54   0.56750  1.0 1.0
   60    63   -67    54  -0.07550 -1.0 2.0
   60    63   -67    54   0.20000  1.0 3.0
   60    63    67    68   0.15000  1.0 3.0
   60    63    67    73  -0.98800  1.0 1.0
   60    63    67    73   0.48800 -1.0 2.0
   60    63    67    73   0.76800  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    65   0.00000  1.0 1.0
   61    60    63    67   0.98200  1.0 1.0
   61    60    63    67  -0.11900 -1.0 2.0
   61    60    63    67   0.24250  1.0 3.0
   61    66    69    76  -1.93650  1.0 1.0
   61    66    69    76   2.17750 -1.0 2.0
   61    66    69    76  -0.40250  1.0 3.0
   61    66    70    71  -0.04000 -1.0 2.0
   61    66    70    71  -0.29050  1.0 3.0
   61    66    70    72  -0.04000 -1.0 2.0
   61    66    70    72  -0.29050  1.0 3.0
   62    61    66    69   7.00000 -1.0 2.0
   62    61    66    70   7.00000 -1.0 2.0
   66    69   -76    56   2.00000 -1.0 2.0
   66    69    76    77   3.00000 -1.0 2.0
   69    66    70    71  -0.11900  1.0 1.0
   69    66    70    71   0.76850 -1.0 2.0
   69    66    70    71   0.14100  1.0 3.0
   69    66    70    72  -0.11900  1.0 1.0
   69    66    70    72   0.76850 -1.0 2.0
   69    66    70    72   0.14100  1.0 3.0
   76    56   -60    61   7.00000 -1.0 2.0
   76    56    60    63   7.00000 -1.0 2.0
   70    66    69    76   2.00000 -1.0 2.0
   63    60    61    62   0.00000  1.0 1.0
   63    60    61    66  -0.18600  1.0 3.0
   63    67    73    74   0.00000  1.0 1.0
   63    67    73    75   0.00000  1.0 1.0
   64    63    67    54   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    73  -0.03800  1.0 3.0
   65    63    67    54   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    73  -0.03800  1.0 3.0
   67    54   -56    60   5.00000 -1.0 2.0
   67    54    56    76   5.00000 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   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
   33    48    55    57   1.10000 -1.0 2.0
   58    59    57    55   1.10000 -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
   56    67    54    46   1.00000 -1.0 2.0
   54    76    56    60   1.10000 -1.0 2.0
   61    63    60    56   1.10000 -1.0 2.0
   60    62    61    66   1.10000 -1.0 2.0
   70    69    66    61   1.10000 -1.0 2.0
   56    69    76    77  10.50000 -1.0 2.0
   71    66    70    72  10.50000 -1.0 2.0
   74    67    73    75  10.50000 -1.0 2.0
END
