* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    160    268     485
    1     0 S   NP   _N1_     1    29.10282    93.93480   -25.16629
    2     1 S   H    _HN1     2     1.02796   116.26605  -103.51528
    3     1 S   H    _H1_     3     1.02947    87.12954     5.56954
    4     1 S   H    _H2_     4     1.02828    19.98974  -172.70333
    5     1 S   CT   _CA1     5     1.50125   119.09752   117.41319
    6     5 S   HC   _HA1     6     1.09574   105.16534    79.41588
    7     5 S   CO3  _C1_     7     1.53762   112.40534   -40.80434
    8     7 S   O2Z  _O11     8     1.26376   115.01163   -43.96218
    9     7 S   O2Z  _O12     9     1.26228   114.93278   134.99567
   10     5 S   CT   _CB1    10     1.53050   107.39413  -162.63718
   11    10 S   HC   HB11    11     1.09844   109.33165   -49.36470
   12    10 S   HC   HB12    12     1.09811   110.48273    67.21583
   13    10 S   CT   _CG1    13     1.53033   112.65546  -170.28406
   14    13 S   HC   HG11    14     1.09567   110.75927   -67.28484
   15    13 S   HC   HG12    15     1.09666   109.69334    51.98231
   16    13 S   C    _CD1    16     1.51815   111.88152   172.47856
   17    16 S   O    _OE1    17     1.22771   123.13405    13.46433
   18    16 S   N    _N2_    18     1.38639   111.91530  -166.59595
   19    18 S   H    _HN2    19     1.01586   119.05716     0.78882
   20    18 S   CT1  _CA2    20     1.46226   123.31243   176.45591
   21    20 S   HC   _HA2    21     1.09745   109.24252     7.75436
   22    20 S   C    _C2_    22     1.53702   108.97607  -107.73685
   23    22 S   O    _O2_    23     1.23087   122.21660  -149.74679
   24    20 S   CT   _CB2    32     1.53442   111.70829   129.67126
   25    24 S   HC   HB21    33     1.09472   109.61975    57.49132
   26    24 S   HC   HB22    34     1.09381   109.56215   176.26634
   27    22 S   N    _N3_    24     1.38304   113.90199    37.78671
   28    27 S   H    _HN3    25     1.01538   119.60059    -3.35970
   29    24 S   S    _SG2    35     1.83157   111.09282   -63.64992
   30    27 S   CT   _CA3    26     1.45278   123.31759   177.18847
   31    30 S   HC   HA31    27     1.09547   107.51371   -64.82274
   32    30 S   HC   HA32    28     1.09554   108.00271    51.64493
   33    29 S   CT   _C19    36     1.92991   101.49426  -177.80920
   34    30 S   CO3  _C3_    29     1.52983   114.01681   173.63508
   35    34 S   O2Z  _O31    30     1.26388   116.07138    -0.65641
   36    34 S   O2Z  _O32    31     1.26424   114.42124   179.40950
   37    33 S   CM   _C6_    37     1.52848   103.38246   -62.79968
   38    37 S   HC   _H26    38     1.08710   119.14642    91.00468
   39    33 S   CM   _C8_    70     1.53445   106.80767    61.81933
   40    37 S   CMA  _C7_    39     1.35333   122.52757   -85.48131
   41    40 S   OM   _O21    40     1.25893   131.08356   177.86815
   42    39 S   CM   _C10    71     1.34472   125.58762  -120.09982
   43    42 S   HC   _H27    72     1.08300   122.86417     0.60974
   44    42 S   HC   _H28    73     1.08565   121.11373  -178.80761
   45    40 S   CM   _C4_    41     1.46620   117.41430     0.13122
   46    45 S   HC   _H24    42     1.08845   119.33085   161.09158
   47    45 S   CM   _C5_    43     1.34639   122.06251   -19.34507
   48    47 S   HC   _H25    44     1.08383   118.56868  -178.01791
   49    33 S   CT   _C20    45     1.59886   111.89718   179.59026
   50    49 S   CT   _C18    46     1.57849   109.59627   -58.66120
   51    50 S   HC   _H41    47     1.09843   107.55851    60.16586
   52    49 S   CT   _C22    78     1.56424   111.13832  -179.66487
   53    52 S   HC   _H42    79     1.09286   112.98826    64.54121
   54    52 S   HC   _H43    80     1.09597   112.40164   -55.47363
   55    52 S   HC   _H44    81     1.09576   111.48844  -174.46937
   56    50 S   CT   _C14    48     1.55663   115.27686   175.77877
   57    56 S   HC   _H35    49     1.09419   110.41465    56.21093
   58    56 S   HC   _H36    50     1.09480   110.20365   -61.07695
   59    50 S   CT   _C16    65     1.57125   111.11218   -56.83424
   60    59 S   HC   _H39    66     1.09527   109.18719   -66.48269
   61    56 S   CT   _C15    51     1.54221   113.31648   178.57852
   62    61 S   HC   _H37    52     1.09789   109.22637    68.62783
   63    61 S   HC   _H38    53     1.09685   109.59895  -175.78495
   64    59 S   CT   _C11    67     1.53791   112.82269    51.87843
   65    64 S   HC   _H29    68     1.09783   108.61727  -171.03888
   66    64 S   HC   _H30    69     1.09613   110.25601    74.01789
   67    61 S   CT   _C21    54     1.52557   111.09453   -53.13568
   68    67 S   CO4  _C9_    55     1.51811   116.73918   166.92218
   69    68 S   O    _O22    56     1.22379   124.74820    40.04687
   70    67 S   CT   _C23    74     1.54044   111.15872   -70.78337
   71    70 S   HC   _H45    75     1.09301   112.94786    61.39216
   72    70 S   HC   _H46    76     1.09692   110.14689   -58.46793
   73    70 S   HC   _H47    77     1.09525   112.47324  -176.80047
   74    68 S   CT   _C12    57     1.52002   111.32488  -141.42967
   75    74 S   HC   _H31    58     1.09378   108.83227   118.63654
   76    74 S   HC   _H32    59     1.09203   111.06372  -118.97276
   77    74 S   CT   _C13    60     1.53628   103.04446     0.65492
   78    77 S   HC   _H33    61     1.09447   111.00478   146.78441
   79    77 S   HC   _H34    62     1.09529   111.12659   -93.36715
   80    67 S   CT   _C17    63     1.54349   108.00289    57.59331
   81    80 S   HC   _H40    64     1.10409   108.56365    52.55314
  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  11   5   4   3
  23   2   1   1  12   5  14   6   3   7   2   1   6   3  10   3
  14  20   9   5   2   1   1  12   6   5  14   7  13   5   4   6
   2   1  14  13   6   7   3   2   1   7   5   4   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    49    50    64    39    42    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    45    47    48    49    50    51    56    59    64    65    66    39    42    43    44    52    53    54    55  
   35    36  
   36  
    0  
   38    40    41    45    46    47    49    50    64    39    42    52  
   40    41    45    49    39  
   42    43    44    52    40    47    49    50    59    60    64    65    66    80  
   41    45    46    47    48    49  
   45    46    47  
   43    44    49    59    64    65    66  
   44    64  
   64  
   46    47    48    49    50    52  
   47    48    49  
   48    49    50    51    56    59    52    53    54    55  
   49    50    52  
   50    51    56    57    58    61    80    59    60    64    52    53    54    55  
   51    56    57    58    61    62    63    67    77    80    81    59    60    64    65    66    52    53    54    55  
   56    57    58    61    80    59    60    64    52  
   53    54    55    56    59  
   54    55  
   55  
    0  
   57    58    61    62    63    67    68    80    59    60    64    70  
   58    61    62    63    67    59  
   61    62    63    67    59  
   60    64    65    66    70    61    67    68    74    77    78    79    80    81  
   64    65    66    67    77    80    81  
   62    63    67    68    69    74    77    80    81    70    71    72    73  
   63    67    68    80    70  
   67    68    80    70  
   65    66    67    77    80    81  
   66    80  
   80  
   68    69    74    75    76    77    78    79    80    81    70    71    72    73  
   69    74    75    76    77    78    79    80    81    70    71    72    73  
   74    75    76    77    80    70  
   71    72    73    74    77    80    81  
   72    73    80  
   73    80  
   80  
   75    76    77    78    79    80    81  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    49   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    45   465.000  1.376
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   340.000  1.080
   47    49   317.000  1.510
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   317.000  1.522
   67    80   268.000  1.529
   67    70   268.000  1.529
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    59   268.000  1.529
   59    60   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    39   317.000  1.510
   39    42   549.000  1.340
   42    43   340.000  1.080
   42    44   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    47    70.00000  112.02700
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    64    65.00000  117.92700
   33    39    42    70.00000  124.00000
   37    40    41    65.00000  137.10300
   37    40    45    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    45    46    40.00000  120.50800
   40    45    47    70.00000  117.34000
   45    40    41    65.00000  137.10300
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  124.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  112.02700
   47    49    52    70.00000  112.02700
   49    33    37    70.00000  112.02700
   49    47    48    35.00000  117.00000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    50    59    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    61    58.35000  112.70000
   50    59    80    58.35000  112.70000
   50    59    60    37.50000  110.70000
   50    59    64    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    67    68    63.00000  111.10000
   61    67    80    58.35000  112.70000
   61    67    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    68    69    80.00000  120.40000
   67    68    74    70.00000  116.00000
   67    80    77    58.35000  112.70000
   67    80    81    37.50000  110.70000
   67    80    59    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    63.00000  111.10000
   74    68    69    80.00000  120.40000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    59    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    67    68    63.00000  111.10000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    59    60    37.50000  110.70000
   80    59    64    58.35000  112.70000
   59    50    51    37.50000  110.70000
   59    50    56    58.35000  112.70000
   59    80    81    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    39    70.00000  112.02700
   64    59    60    37.50000  110.70000
   64    39    42    70.00000  124.00000
   66    64    65    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    33    49    70.00000  112.02700
   39    64    65    35.00000  109.50000
   39    64    66    35.00000  109.50000
   39    42    43    35.00000  120.00000
   39    42    44    35.00000  120.00000
   44    42    43    35.00000  117.00000
   70    67    68    63.00000  111.10000
   70    67    80    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    49    47   0.56750  1.0 1.0
   29    33    49    47  -0.07550 -1.0 2.0
   29    33    49    47   0.20000  1.0 3.0
   29    33    49    50   0.44750  1.0 1.0
   29    33    49    50  -0.17800 -1.0 2.0
   29    33    49    50   0.20200  1.0 3.0
   29    33    49    52   0.44750  1.0 1.0
   29    33    49    52  -0.17800 -1.0 2.0
   29    33    49    52   0.20200  1.0 3.0
   29    33    39    64   0.30250  1.0 1.0
   29    33    39    64  -0.14950 -1.0 2.0
   29    33    39    64   0.36900  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    45   7.00000 -1.0 2.0
   33    49    50    51   0.15000  1.0 3.0
   33    49    50    56   0.56750  1.0 1.0
   33    49    50    56  -0.07550 -1.0 2.0
   33    49    50    56   0.20000  1.0 3.0
   33    49    50    59   0.56750  1.0 1.0
   33    49    50    59  -0.07550 -1.0 2.0
   33    49    50    59   0.20000  1.0 3.0
   33    49    52    53   0.15000  1.0 3.0
   33    49    52    54   0.15000  1.0 3.0
   33    49    52    55   0.15000  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    44   7.00000 -1.0 2.0
   37    33    49    47   0.31000  1.0 1.0
   37    33    49    47   0.14700 -1.0 2.0
   37    33    49    47   0.07550  1.0 3.0
   37    33    49    50   0.34400  1.0 1.0
   37    33    49    50   0.09450 -1.0 2.0
   37    33    49    50   0.11100  1.0 3.0
   37    33    49    52   0.34400  1.0 1.0
   37    33    49    52   0.09450 -1.0 2.0
   37    33    49    52   0.11100  1.0 3.0
   37    33    39    64   0.09700  1.0 1.0
   37    33    39    64   0.15600 -1.0 2.0
   37    33    39    64  -0.50800  1.0 3.0
   37    33    39    42  -0.28300  1.0 1.0
   37    33    39    42   0.26700 -1.0 2.0
   37    33    39    42  -0.63300  1.0 3.0
   37    40    45    46   7.00000 -1.0 2.0
   37    40   -45    47   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    45   7.00000 -1.0 2.0
   40    45    47    48   7.00000 -1.0 2.0
   40    45    47    49   7.00000 -1.0 2.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    47   7.00000 -1.0 2.0
   45    47   -49    33   0.09850  1.0 1.0
   45    47   -49    33   0.15250 -1.0 2.0
   45    47   -49    33  -0.50650  1.0 3.0
   45    47    49    50   0.09850  1.0 1.0
   45    47    49    50   0.15250 -1.0 2.0
   45    47    49    50  -0.50650  1.0 3.0
   45    47    49    52   0.09850  1.0 1.0
   45    47    49    52   0.15250 -1.0 2.0
   45    47    49    52  -0.50650  1.0 3.0
   46    45    47    48   7.00000 -1.0 2.0
   46    45    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.15000  1.0 3.0
   47    49    50    56   0.34400  1.0 1.0
   47    49    50    56   0.09450 -1.0 2.0
   47    49    50    56   0.11100  1.0 3.0
   47    49    50    59   0.34400  1.0 1.0
   47    49    50    59   0.09450 -1.0 2.0
   47    49    50    59   0.11100  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    55   0.15000  1.0 3.0
   48    47    49    33   0.00000  1.0 1.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    52   0.00000  1.0 1.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33    39    64   0.46850  1.0 1.0
   49    33    39    64   0.08550 -1.0 2.0
   49    33    39    64   0.09800  1.0 3.0
   49    33    39    42   0.09850  1.0 1.0
   49    33    39    42   0.15250 -1.0 2.0
   49    33    39    42  -0.50650  1.0 3.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    61   0.56750  1.0 1.0
   49    50    56    61  -0.07550 -1.0 2.0
   49    50    56    61   0.20000  1.0 3.0
   49    50    59    80   0.56750  1.0 1.0
   49    50    59    80  -0.07550 -1.0 2.0
   49    50    59    80   0.20000  1.0 3.0
   49    50    59    60   0.15000  1.0 3.0
   49    50   -59    64   0.56750  1.0 1.0
   49    50   -59    64  -0.07550 -1.0 2.0
   49    50   -59    64   0.20000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    56    61    62   0.15000  1.0 3.0
   50    56    61    63   0.15000  1.0 3.0
   50    56    61    67   0.56750  1.0 1.0
   50    56    61    67  -0.07550 -1.0 2.0
   50    56    61    67   0.20000  1.0 3.0
   50    59    64    65   0.15000  1.0 3.0
   50    59    64    66   0.15000  1.0 3.0
   50    59    64    39   0.34400  1.0 1.0
   50    59    64    39   0.09450 -1.0 2.0
   50    59    64    39   0.11100  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   51    50    59    80   0.15000  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    64   0.15000  1.0 3.0
   56    50    59    80   0.56750  1.0 1.0
   56    50    59    80  -0.07550 -1.0 2.0
   56    50    59    80   0.20000  1.0 3.0
   56    50    59    60   0.15000  1.0 3.0
   56    50    59    64   0.56750  1.0 1.0
   56    50    59    64  -0.07550 -1.0 2.0
   56    50    59    64   0.20000  1.0 3.0
   56    61    67    68  -0.95700  1.0 1.0
   56    61    67    68  -0.18200 -1.0 2.0
   56    61    67    68   0.29450  1.0 3.0
   56    61   -67    80   0.56750  1.0 1.0
   56    61   -67    80  -0.07550 -1.0 2.0
   56    61   -67    80   0.20000  1.0 3.0
   56    61    67    70   0.56750  1.0 1.0
   56    61    67    70  -0.07550 -1.0 2.0
   56    61    67    70   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    67   0.15000  1.0 3.0
   61    67    68    69   0.30150 -1.0 2.0
   61    67    68    74   0.60050  1.0 1.0
   61    67    68    74   0.05600 -1.0 2.0
   61    67    68    74   0.26150  1.0 3.0
   61    67    80    77   0.56750  1.0 1.0
   61    67    80    77  -0.07550 -1.0 2.0
   61    67    80    77   0.20000  1.0 3.0
   61    67    80    81   0.15000  1.0 3.0
   61    67    80    59   0.56750  1.0 1.0
   61    67    80    59  -0.07550 -1.0 2.0
   61    67    80    59   0.20000  1.0 3.0
   61    67    70    71   0.15000  1.0 3.0
   61    67    70    72   0.15000  1.0 3.0
   61    67    70    73   0.15000  1.0 3.0
   62    61    67    68  -0.11250  1.0 3.0
   62    61    67    80   0.15000  1.0 3.0
   62    61    67    70   0.15000  1.0 3.0
   63    61    67    68  -0.11250  1.0 3.0
   63    61    67    80   0.15000  1.0 3.0
   63    61    67    70   0.15000  1.0 3.0
   67    68    74    75   0.00000  1.0 1.0
   67    68    74    76   0.00000  1.0 1.0
   67    68   -74    77   0.60050  1.0 1.0
   67    68   -74    77   0.05600 -1.0 2.0
   67    68   -74    77   0.26150  1.0 3.0
   67    80   -59    50   0.56750  1.0 1.0
   67    80   -59    50  -0.07550 -1.0 2.0
   67    80   -59    50   0.20000  1.0 3.0
   67    80    59    60   0.15000  1.0 3.0
   67    80    59    64   0.56750  1.0 1.0
   67    80    59    64  -0.07550 -1.0 2.0
   67    80    59    64   0.20000  1.0 3.0
   68    67   -80    77  -0.95700  1.0 1.0
   68    67   -80    77  -0.18200 -1.0 2.0
   68    67   -80    77   0.29450  1.0 3.0
   68    67    80    81  -0.11250  1.0 3.0
   68    67    80    59  -0.95700  1.0 1.0
   68    67    80    59  -0.18200 -1.0 2.0
   68    67    80    59   0.29450  1.0 3.0
   68    67    70    71  -0.11250  1.0 3.0
   68    67    70    72  -0.11250  1.0 3.0
   68    67    70    73  -0.11250  1.0 3.0
   68    74    77    78  -0.11250  1.0 3.0
   68    74    77    79  -0.11250  1.0 3.0
   68    74   -77    80  -0.95700  1.0 1.0
   68    74   -77    80  -0.18200 -1.0 2.0
   68    74   -77    80   0.29450  1.0 3.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.00000  1.0 1.0
   69    68    74    77   0.30150 -1.0 2.0
   74    77   -80    67   0.56750  1.0 1.0
   74    77   -80    67  -0.07550 -1.0 2.0
   74    77   -80    67   0.20000  1.0 3.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    59   0.56750  1.0 1.0
   74    77    80    59  -0.07550 -1.0 2.0
   74    77    80    59   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    59    50   0.56750  1.0 1.0
   77    80    59    50  -0.07550 -1.0 2.0
   77    80    59    50   0.20000  1.0 3.0
   77    80    59    60   0.15000  1.0 3.0
   77    80    59    64   0.56750  1.0 1.0
   77    80    59    64  -0.07550 -1.0 2.0
   77    80    59    64   0.20000  1.0 3.0
   78    77    80    67   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    59   0.15000  1.0 3.0
   79    77    80    67   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    59   0.15000  1.0 3.0
   80    67    68    69   0.30150 -1.0 2.0
   80    67   -68    74   0.60050  1.0 1.0
   80    67   -68    74   0.05600 -1.0 2.0
   80    67   -68    74   0.26150  1.0 3.0
   80    67    70    71   0.15000  1.0 3.0
   80    67    70    72   0.15000  1.0 3.0
   80    67    70    73   0.15000  1.0 3.0
   80    59    64    65   0.15000  1.0 3.0
   80    59    64    66   0.15000  1.0 3.0
   80    59    64    39   0.34400  1.0 1.0
   80    59    64    39   0.09450 -1.0 2.0
   80    59    64    39   0.11100  1.0 3.0
   81    80    59    50   0.15000  1.0 3.0
   81    80    59    60   0.15000  1.0 3.0
   81    80    59    64   0.15000  1.0 3.0
   59    50    56    57   0.15000  1.0 3.0
   59    50    56    58   0.15000  1.0 3.0
   59    50   -56    61   0.56750  1.0 1.0
   59    50   -56    61  -0.07550 -1.0 2.0
   59    50   -56    61   0.20000  1.0 3.0
   59    64   -39    33   0.46850  1.0 1.0
   59    64   -39    33   0.08550 -1.0 2.0
   59    64   -39    33   0.09800  1.0 3.0
   59    64    39    42   0.09850  1.0 1.0
   59    64    39    42   0.15250 -1.0 2.0
   59    64    39    42  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    39   0.15000  1.0 3.0
   64    39    42    43   7.00000 -1.0 2.0
   64    39    42    44   7.00000 -1.0 2.0
   65    64    39    33   0.34800  1.0 3.0
   65    64    39    42   0.00000  1.0 1.0
   66    64    39    33   0.34800  1.0 3.0
   66    64    39    42   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40  -0.28300  1.0 1.0
   39    33    37    40   0.26700 -1.0 2.0
   39    33    37    40  -0.63300  1.0 3.0
   39    33    49    47   0.31000  1.0 1.0
   39    33    49    47   0.14700 -1.0 2.0
   39    33    49    47   0.07550  1.0 3.0
   39    33   -49    50   0.34400  1.0 1.0
   39    33   -49    50   0.09450 -1.0 2.0
   39    33   -49    50   0.11100  1.0 3.0
   39    33    49    52   0.34400  1.0 1.0
   39    33    49    52   0.09450 -1.0 2.0
   39    33    49    52   0.11100  1.0 3.0
   70    67    68    69   0.30150 -1.0 2.0
   70    67    68    74   0.60050  1.0 1.0
   70    67    68    74   0.05600 -1.0 2.0
   70    67    68    74   0.26150  1.0 3.0
   70    67    80    77   0.56750  1.0 1.0
   70    67    80    77  -0.07550 -1.0 2.0
   70    67    80    77   0.20000  1.0 3.0
   70    67    80    81   0.15000  1.0 3.0
   70    67    80    59   0.56750  1.0 1.0
   70    67    80    59  -0.07550 -1.0 2.0
   70    67    80    59   0.20000  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    59   0.56750  1.0 1.0
   52    49    50    59  -0.07550 -1.0 2.0
   52    49    50    59   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   40    46    45    47   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   67    74    68    69  10.50000 -1.0 2.0
   33    64    39    42   1.10000 -1.0 2.0
   43    44    42    39   1.10000 -1.0 2.0
END
