* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    159    248     461
    1     0 S   NP   _N1_     1    29.10385    95.93859   -26.26322
    2     1 S   H    _HN1     2     1.02946    76.39749    -0.12667
    3     1 S   H    _H1_     3     1.02827    31.21922  -169.41489
    4     1 S   H    _H2_     4     1.02797   124.20331  -103.29996
    5     1 S   CT   _CA1     5     1.50136   117.70869   106.02135
    6     5 S   HC   _HA1     6     1.09575   105.13902    92.77512
    7     5 S   CO3  _C1_     7     1.53761   112.49047   -27.39591
    8     7 S   O2Z  _O11     8     1.26378   115.00175   -41.79652
    9     7 S   O2Z  _O12     9     1.26237   114.94051   137.15527
   10     5 S   CT   _CB1    10     1.53051   107.39496  -149.26956
   11    10 S   HC   HB11    11     1.09845   109.28886   -49.25781
   12    10 S   HC   HB12    12     1.09810   110.48970    67.32524
   13    10 S   CT   _CG1    13     1.53034   112.66804  -170.18762
   14    13 S   HC   HG11    14     1.09564   110.76320   -68.43783
   15    13 S   HC   HG12    15     1.09670   109.66864    50.81730
   16    13 S   C    _CD1    16     1.51820   111.88835   171.29988
   17    16 S   O    _OE1    17     1.22763   123.13168    14.48745
   18    16 S   N    _N2_    18     1.38646   111.89880  -165.44894
   19    18 S   H    _HN2    19     1.01567   118.99077     0.77101
   20    18 S   CT1  _CA2    20     1.46230   123.36331   175.94798
   21    20 S   HC   _HA2    21     1.09740   109.26520     8.61224
   22    20 S   C    _C2_    22     1.53723   108.82398  -106.87229
   23    22 S   O    _O2_    23     1.23085   122.23984  -148.61848
   24    20 S   CT   _CB2    32     1.53333   111.71263   130.62806
   25    24 S   HC   HB21    33     1.09591   110.11752    56.42218
   26    24 S   HC   HB22    34     1.09425   110.00606   175.35556
   27    22 S   N    _N3_    24     1.38309   113.89038    38.84941
   28    27 S   H    _HN3    25     1.01532   119.61472    -3.02161
   29    24 S   S    _SG2    35     1.82730   111.56147   -64.25842
   30    27 S   CT   _CA3    26     1.45282   123.34783   177.32131
   31    30 S   HC   HA31    27     1.09544   107.49321   -65.48457
   32    30 S   HC   HA32    28     1.09552   108.03375    50.99704
   33    29 S   CT   _C16    36     1.86366    99.59467  -178.73066
   34    33 S   HC   _H5_    37     1.10047   104.18719   -31.89994
   35    30 S   CO3  _C3_    29     1.52992   113.99493   173.00776
   36    35 S   O2Z  _O31    30     1.26391   116.06897    -0.58081
   37    35 S   O2Z  _O32    31     1.26423   114.42381   179.48262
   38    33 S   CT   _C17    38     1.58712   118.19260  -147.82327
   39    38 S   OM   _O36    39     1.32721   108.52132    39.29311
   40    38 S   HC   _H6_    40     1.10412   101.25111   163.06294
   41    38 S   CT   _C12    41     1.58984   117.09529   -86.45548
   42    41 S   CA   _C7_    42     1.57261   113.66765  -154.14631
   43    41 S   CT   _C21    56     1.56211   119.09097    81.47659
   44    43 S   HC   _H7_    57     1.09702   111.61520    96.57953
   45    41 S   CT   _C13    60     1.55225   110.77505   -36.31809
   46    45 S   HC   _H3_    61     1.10045   111.21733   -76.01288
   47    42 S   CA   _C8_    43     1.40127   123.04395   -25.87442
   48    47 S   HA   _H11    44     1.08229   122.73150     1.76103
   49    43 S   OH   _O38    58     1.41647   115.09268   -25.20981
   50    49 S   HO   _H23    59     0.97526   106.77430    49.08850
   51    45 S   CT   _C14    62     1.52989   115.23467    45.05662
   52    51 S   HC   _H14    63     1.09544   111.86503    63.53298
   53    51 S   HC   _H15    64     1.09653   108.56739   179.93147
   54    47 S   CA   _C9_    45     1.38133   118.69193  -178.07736
   55    33 S   CT   _C15    65     1.54381   108.70010    82.54122
   56    55 S   HC   _H4_    66     1.09651   110.31772   -41.27385
   57    54 S   CA   _C10    46     1.37786   122.78358     0.17471
   58    55 S   OS   _O37    67     1.43755   107.21891  -158.21944
   59    57 S   CA   _C5_    47     1.38320   121.15280    -0.04423
   60    58 S   CT   _C18    68     1.42067   113.78926   162.43781
   61    60 S   HC   _H16    69     1.09349   108.08914  -175.37670
   62    60 S   HC   _H17    70     1.09278   111.08728    66.17965
   63    60 S   HC   _H18    71     1.09409   110.75123   -56.78873
   64    57 S   OS   _O34    77     1.36279   111.07456  -179.96044
   65    42 S   CA   _C6_    48     1.43261   118.37188   156.58441
   66    59 S   OS   _O33    72     1.36712   127.05564  -179.49526
   67    64 S   CO   _C11    78     1.43791   101.99766    -0.07402
   68    67 S   HC   _H12    79     1.09602   108.72027  -120.91506
   69    67 S   HC   _H13    80     1.09602   108.71999   120.96135
   70    65 S   CT   _C19    49     1.52230   119.30658    -3.88524
   71    70 S   HC   _H19    50     1.09728   110.09121   130.91548
   72    70 S   HC   _H20    51     1.09811   107.68740  -113.38691
   73    66 S   CT   _C4_    73     1.41989   118.48114    -0.04846
   74    73 S   HC   _H8_    74     1.09450   107.62196   179.93744
   75    73 S   HC   _H9_    75     1.09454   111.22124    62.58467
   76    73 S   HC   _H10    76     1.09453   111.21301   -62.72622
   77    54 S   OS   _O35    81     1.36354   124.34857  -179.90513
   78    70 S   NTH0 _N4_    52     1.47689   115.32272     6.60851
   79    78 S   CT   _C20    53     1.47673   110.78949    71.57383
   80    79 S   HC   _H21    54     1.09691   108.85693   150.49593
   81    79 S   HC   _H22    55     1.09659   112.37921    33.45801
  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  10   5   4   3
  15   8   2   1   1  17   6   5  21  19  13   7  17   7   9   4
   5   1   9   5   4   9   7   2  10   4  13   3   2   1   1   6
   7   5   3   2   1   6   3   2   3   2   1   1   1   3   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    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    40    41    51    55    56    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    51    52    53    55    56    58    60  
   38    39    40    41    51    55    56    58  
   36    37  
   37  
    0  
   39    40    41    42    47    65    78    79    43    44    49    45    46    51    55    56    58  
   40    41    42    43    45    55  
   41    42    43    45    55  
   42    47    48    54    59    65    70    78    79    80    81    43    44    49    50    45    46    51    52    53    55  
   47    48    54    57    59    65    70    71    72    78    79    43    44    49    45    46    51    66    77  
   44    49    50    45    46    51    47    65    70    78    79    80    81  
   49    50    45    78    79    80    81  
   46    51    52    53    55    56    58    47    49    65    70    71    72    78    79    80    81  
   51    52    53    55    70    78    79  
   48    54    57    59    65    70    64    67    77  
   54    57    65    77  
   50    78    79    80    81  
   79  
   52    53    55    56    58    60    70    78    79  
   53    55    56    58    78  
   55    56    58    78  
   57    59    65    66    64    67    68    69    77  
   56    58    60    61    62    63    78  
   58    60  
   59    65    70    66    73    64    67    68    69    77  
   60    61    62    63  
   65    70    71    72    78    66    73    74    75    76    64    67    77  
   61    62    63  
   62    63  
   63  
    0  
   67    68    69    77    65    66  
   70    71    72    78    79    66    73  
   73    74    75    76    70  
   68    69    77  
   69    77  
   77  
   71    72    78    79    80    81  
   72    78    79  
   78    79  
   74    75    76  
   75    76  
   76  
    0  
    0  
   79    80    81  
   80    81  
   81  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   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    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   268.000  1.529
   33    55   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    45   268.000  1.529
   42    47   469.000  1.400
   42    65   469.000  1.400
   47    48   367.000  1.080
   47    54   469.000  1.400
   54    57   469.000  1.400
   54    77   450.000  1.364
   57    59   469.000  1.400
   57    64   450.000  1.364
   59    65   469.000  1.400
   59    66   450.000  1.364
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   310.000  1.447
   78    79   310.000  1.447
   78    45   310.000  1.447
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    43   268.000  1.529
   43    44   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
   45    46   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    58   320.000  1.410
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   66    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   320.000  1.380
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  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    55    51    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.17500
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    47    70.00000  120.00000
   41    42    65    70.00000  120.00000
   41    43    79    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    49    50.00000  109.50000
   41    45    78    75.00000  113.73300
   41    45    46    37.50000  110.70000
   41    45    51    58.35000  112.70000
   42    47    48    35.00000  120.00000
   42    47    54    63.00000  120.00000
   42    65    59    63.00000  120.00000
   42    65    70    70.00000  120.00000
   47    54    57    63.00000  120.00000
   47    54    77    70.00000  120.00000
   54    47    48    35.00000  120.00000
   54    57    59    63.00000  120.00000
   54    57    64    70.00000  120.00000
   54    77    67   100.00000  112.36700
   57    59    65    63.00000  120.00000
   57    59    66    70.00000  120.00000
   57    64    67   100.00000  112.36700
   59    65    70    70.00000  120.00000
   59    66    73    75.00000  111.00000
   65    42    47    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    78    75.00000  112.33000
   70    78    79    80.00000  110.40700
   70    78    45    80.00000  110.40700
   72    70    71    33.00000  107.80000
   78    70    71    50.00000  110.15500
   78    70    72    50.00000  110.15500
   78    79    80    50.00000  110.15500
   78    79    81    50.00000  110.15500
   78    79    43    75.00000  113.73300
   78    45    46    50.00000  110.15500
   78    45    51    75.00000  113.73300
   79    43    44    37.50000  110.70000
   79    43    49    50.00000  109.50000
   81    79    80    33.00000  107.80000
   43    41    42    70.00000  112.17500
   43    79    80    37.50000  110.70000
   43    79    81    37.50000  110.70000
   43    49    50    55.00000  108.50000
   49    43    44    35.00000  109.50000
   45    41    42    70.00000  112.17500
   45    41    43    58.35000  112.70000
   45    78    79    80.00000  110.40700
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    55    58.35000  112.70000
   51    45    46    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    58    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    58    60    60.00000  109.50000
   58    55    56    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   66    59    65    70.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    57    59    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    77    92.60000  111.55000
   69    67    68    33.00000  109.50000
   77    54    57    70.00000  120.00000
   77    67    68    35.00000  109.50000
   77    67    69    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    55    51   0.44750  1.0 1.0
   29    33    55    51  -0.17800 -1.0 2.0
   29    33    55    51   0.20200  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    41    42  -0.03700  1.0 1.0
   33    38    41    42   0.37200 -1.0 2.0
   33    38    41    42  -0.47300  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    55    58    60   0.06250  1.0 1.0
   33    55    58    60  -0.01100 -1.0 2.0
   33    55    58    60   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    55    51   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    51   0.56750  1.0 1.0
   38    33    55    51  -0.07550 -1.0 2.0
   38    33    55    51   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58   0.62750  1.0 1.0
   38    33    55    58  -0.30950 -1.0 2.0
   38    33    55    58   0.27300  1.0 3.0
   38    41    42    47   0.04150 -1.0 2.0
   38    41    42    65   0.04150 -1.0 2.0
   38    41    43    79   0.56750  1.0 1.0
   38    41    43    79  -0.07550 -1.0 2.0
   38    41    43    79   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    49   0.86500  1.0 1.0
   38    41    43    49  -0.17500 -1.0 2.0
   38    41    43    49   0.20800  1.0 3.0
   38    41    45    78   1.53400  1.0 1.0
   38    41    45    78  -0.09950 -1.0 2.0
   38    41    45    78   0.05700  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41   -45    51   0.56750  1.0 1.0
   38    41   -45    51  -0.07550 -1.0 2.0
   38    41   -45    51   0.20000  1.0 3.0
   39    38    41    42  -0.64350  1.0 1.0
   39    38    41    42  -0.04200 -1.0 2.0
   39    38    41    42   0.19800  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.43200  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    42    47    48   3.62500 -1.0 2.0
   41    42    47    54   3.62500 -1.0 2.0
   41    42    65    59   3.62500 -1.0 2.0
   41    42    65    70   3.62500 -1.0 2.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    55   0.56750  1.0 1.0
   41    45    51    55  -0.07550 -1.0 2.0
   41    45    51    55   0.20000  1.0 3.0
   42    41    43    79  -0.03700  1.0 1.0
   42    41    43    79   0.37200 -1.0 2.0
   42    41    43    79  -0.47300  1.0 3.0
   42    41    43    44   0.43200  1.0 3.0
   42    41    43    49   1.13150  1.0 1.0
   42    41    43    49  -1.01400 -1.0 2.0
   42    41    45    78   0.83750  1.0 1.0
   42    41    45    78   0.32200 -1.0 2.0
   42    41    45    78   0.70600  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    51  -0.03700  1.0 1.0
   42    41    45    51   0.37200 -1.0 2.0
   42    41    45    51  -0.47300  1.0 3.0
   42    47    54    57   3.62500 -1.0 2.0
   42    47    54    77   3.62500 -1.0 2.0
   42    65    70    71   0.00000  1.0 1.0
   42    65    70    72   0.00000  1.0 1.0
   42    65   -70    78   0.18550 -1.0 2.0
   42    65   -70    78   0.14000  1.0 3.0
   47    42    65    59   3.62500 -1.0 2.0
   47    42    65    70   3.62500 -1.0 2.0
   47    54   -57    59   3.62500 -1.0 2.0
   47    54    57    64   3.62500 -1.0 2.0
   47    54    77    67   1.63200 -1.0 2.0
   48    47    54    57   3.62500 -1.0 2.0
   48    47    54    77   3.62500 -1.0 2.0
   54    57    59    65   3.62500 -1.0 2.0
   54    57    59    66   3.62500 -1.0 2.0
   54    57   -64    67   1.63200 -1.0 2.0
   57    54   -77    67   1.63200 -1.0 2.0
   57    59   -65    42   3.62500 -1.0 2.0
   57    59    65    70   3.62500 -1.0 2.0
   57    59    66    73   1.63200 -1.0 2.0
   57    64    67    68   0.08050  1.0 3.0
   57    64    67    69   0.08050  1.0 3.0
   57    64   -67    77  -0.25600  1.0 1.0
   57    64   -67    77  -0.40050 -1.0 2.0
   57    64   -67    77   0.34700  1.0 3.0
   59    57    64    67   1.63200 -1.0 2.0
   59    65    70    71   0.00000  1.0 1.0
   59    65    70    72   0.00000  1.0 1.0
   59    65    70    78   0.18550 -1.0 2.0
   59    65    70    78   0.14000  1.0 3.0
   59    66    73    74   0.08050  1.0 3.0
   59    66    73    75   0.08050  1.0 3.0
   59    66    73    76   0.08050  1.0 3.0
   65    42    47    48   3.62500 -1.0 2.0
   65    42   -47    54   3.62500 -1.0 2.0
   65    59    66    73   1.63200 -1.0 2.0
   65    70    78    79   0.82600  1.0 1.0
   65    70    78    79  -0.32100 -1.0 2.0
   65    70    78    79   1.02000  1.0 3.0
   65    70    78    45   0.82600  1.0 1.0
   65    70    78    45  -0.32100 -1.0 2.0
   65    70    78    45   1.02000  1.0 3.0
   70    78    79    80   0.28000  1.0 3.0
   70    78    79    81   0.28000  1.0 3.0
   70    78    79    43   1.99000  1.0 1.0
   70    78    79    43   0.18800 -1.0 2.0
   70    78    79    43   0.81350  1.0 3.0
   70    78   -45    41   1.99000  1.0 1.0
   70    78   -45    41   0.18800 -1.0 2.0
   70    78   -45    41   0.81350  1.0 3.0
   70    78    45    46   0.28000  1.0 3.0
   70    78    45    51   1.99000  1.0 1.0
   70    78    45    51   0.18800 -1.0 2.0
   70    78    45    51   0.81350  1.0 3.0
   71    70    78    79   0.28000  1.0 3.0
   71    70    78    45   0.28000  1.0 3.0
   72    70    78    79   0.28000  1.0 3.0
   72    70    78    45   0.28000  1.0 3.0
   78    79   -43    41   1.53400  1.0 1.0
   78    79   -43    41  -0.09950 -1.0 2.0
   78    79   -43    41   0.05700  1.0 3.0
   78    79    43    44   0.15000  1.0 3.0
   78    79    43    49   3.18500  1.0 1.0
   78    45    51    52   0.15000  1.0 3.0
   78    45    51    53   0.15000  1.0 3.0
   78    45    51    55   1.53400  1.0 1.0
   78    45    51    55  -0.09950 -1.0 2.0
   78    45    51    55   0.05700  1.0 3.0
   79    78   -45    41   1.99000  1.0 1.0
   79    78   -45    41   0.18800 -1.0 2.0
   79    78   -45    41   0.81350  1.0 3.0
   79    78    45    46   0.28000  1.0 3.0
   79    78    45    51   1.99000  1.0 1.0
   79    78    45    51   0.18800 -1.0 2.0
   79    78    45    51   0.81350  1.0 3.0
   79    43    49    50  -0.11600  1.0 1.0
   79    43    49    50  -0.09450 -1.0 2.0
   79    43    49    50   0.21250  1.0 3.0
   80    79    43    41   0.15000  1.0 3.0
   80    79    43    44   0.15000  1.0 3.0
   80    79    43    49   0.23400  1.0 3.0
   81    79    43    41   0.15000  1.0 3.0
   81    79    43    44   0.15000  1.0 3.0
   81    79    43    49   0.23400  1.0 3.0
   43    41    42    47   0.04150 -1.0 2.0
   43    41    42    65   0.04150 -1.0 2.0
   43    41   -45    78   1.53400  1.0 1.0
   43    41   -45    78  -0.09950 -1.0 2.0
   43    41   -45    78   0.05700  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    51   0.56750  1.0 1.0
   43    41    45    51  -0.07550 -1.0 2.0
   43    41    45    51   0.20000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   45    41    42    47   0.04150 -1.0 2.0
   45    41   -42    65   0.04150 -1.0 2.0
   45    41   -43    79   0.56750  1.0 1.0
   45    41   -43    79  -0.07550 -1.0 2.0
   45    41   -43    79   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    49   0.86500  1.0 1.0
   45    41    43    49  -0.17500 -1.0 2.0
   45    41    43    49   0.20800  1.0 3.0
   45    78    79    80   0.28000  1.0 3.0
   45    78    79    81   0.28000  1.0 3.0
   45    78   -79    43   1.99000  1.0 1.0
   45    78   -79    43   0.18800 -1.0 2.0
   45    78   -79    43   0.81350  1.0 3.0
   45    51   -55    33   0.56750  1.0 1.0
   45    51   -55    33  -0.07550 -1.0 2.0
   45    51   -55    33   0.20000  1.0 3.0
   45    51    55    56   0.15000  1.0 3.0
   45    51    55    58   0.62750  1.0 1.0
   45    51    55    58  -0.30950 -1.0 2.0
   45    51    55    58   0.27300  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    55   0.15000  1.0 3.0
   51    55    58    60   0.06250  1.0 1.0
   51    55    58    60  -0.01100 -1.0 2.0
   51    55    58    60   0.28050  1.0 3.0
   52    51    55    33   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.23400  1.0 3.0
   53    51    55    33   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    58   0.23400  1.0 3.0
   55    33    38    39   0.62750  1.0 1.0
   55    33    38    39  -0.30950 -1.0 2.0
   55    33    38    39   0.27300  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33   -38    41   0.56750  1.0 1.0
   55    33   -38    41  -0.07550 -1.0 2.0
   55    33   -38    41   0.20000  1.0 3.0
   55    58    60    61   0.37050  1.0 3.0
   55    58    60    62   0.37050  1.0 3.0
   55    58    60    63   0.37050  1.0 3.0
   56    55    58    60   0.37050  1.0 3.0
   66    59    65    42   3.62500 -1.0 2.0
   66    59    65    70   3.62500 -1.0 2.0
   64    57    59    65   3.62500 -1.0 2.0
   64    57    59    66   3.62500 -1.0 2.0
   64    67   -77    54  -0.25600  1.0 1.0
   64    67   -77    54  -0.40050 -1.0 2.0
   64    67   -77    54   0.34700  1.0 3.0
   68    67    77    54   0.08050  1.0 3.0
   69    67    77    54   0.08050  1.0 3.0
   77    54    57    59   3.62500 -1.0 2.0
   77    54   -57    64   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   47    65    42    41   4.00000 -1.0 2.0
   54    48    47    42   1.10000 -1.0 2.0
   57    77    54    47   4.00000 -1.0 2.0
   59    64    57    54   4.00000 -1.0 2.0
   65    66    59    57   4.00000 -1.0 2.0
   59    70    65    42   4.00000 -1.0 2.0
END
