* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    160    268     485
    1     0 S   NP   _N1_     1    28.65373    94.36860   -22.22509
    2     1 S   H    _HN1     2     1.02960    89.09917    30.79435
    3     1 S   H    _H1_     3     1.02836    27.00712   163.33350
    4     1 S   H    _H2_     4     1.02778    95.62359   -77.53360
    5     1 S   CT   _CA1     5     1.50111   137.29121   150.58594
    6     5 S   HC   _HA1     6     1.09574   105.24589    65.28150
    7     5 S   CO3  _C1_     7     1.53796   112.40482   -54.95902
    8     7 S   O2Z  _O11     8     1.26358   115.00566   -43.67444
    9     7 S   O2Z  _O12     9     1.26240   114.92472   135.56376
   10     5 S   CT   _CB1    10     1.53100   107.43900  -176.78575
   11    10 S   HC   HB11    11     1.09822   109.36508   -50.80624
   12    10 S   HC   HB12    12     1.09820   110.39914    65.75579
   13    10 S   CT   _CG1    13     1.52997   112.65608  -171.92046
   14    13 S   HC   HG11    14     1.09600   110.40544   -63.08801
   15    13 S   HC   HG12    15     1.09648   110.02229    56.12312
   16    13 S   C    _CD1    16     1.51807   112.34733   176.49843
   17    16 S   O    _OE1    17     1.22710   123.26883    -3.78382
   18    16 S   N    _N2_    18     1.38599   111.55703   176.42494
   19    18 S   H    _HN2    19     1.01578   119.03049     1.54978
   20    18 S   CT1  _CA2    20     1.46222   123.50700  -178.97245
   21    20 S   HC   _HA2    21     1.09732   109.42091    -9.17862
   22    20 S   C    _C2_    22     1.53474   108.17610  -124.75528
   23    22 S   O    _O2_    23     1.23002   122.32209  -145.36649
   24    20 S   CT   _CB2    32     1.53504   111.40888   112.92792
   25    24 S   HC   HB21    33     1.09473   109.64203    55.84416
   26    24 S   HC   HB22    34     1.09496   109.80108   174.47604
   27    22 S   N    _N3_    24     1.38542   113.35631    41.95145
   28    27 S   H    _HN3    25     1.01516   118.88807    -0.66146
   29    24 S   S    _SG2    35     1.83480   111.31325   -66.35289
   30    27 S   CT   _CA3    26     1.45455   123.55713   175.20641
   31    30 S   HC   HA31    27     1.09514   109.37898    21.50812
   32    30 S   HC   HA32    28     1.09499   107.08007   138.53488
   33    29 S   CT   _C19    36     1.90830   102.28482   161.36544
   34    30 S   CO3  _C3_    29     1.52918   113.04659  -102.07037
   35    34 S   O2Z  _O31    30     1.26408   115.38480   -44.60034
   36    34 S   O2Z  _O32    31     1.26352   114.99723   136.34064
   37    33 S   CM   _C6_    37     1.53095   105.16680    46.43766
   38    37 S   HC   _H26    38     1.08921   117.64036   -91.96139
   39    33 S   CM   _C8_    70     1.54402   111.34981   -74.67451
   40    37 S   CMA  _C7_    39     1.35157   123.52440    86.92964
   41    40 S   OM   _O21    40     1.25879   131.06971  -179.02602
   42    39 S   CM   _C10    71     1.34647   127.76532    -1.68598
   43    42 S   HC   _H27    72     1.08161   123.73840     0.60652
   44    42 S   HC   _H28    73     1.08622   121.08446  -178.41390
   45    40 S   CM   _C4_    41     1.46333   117.43613    -0.86705
   46    45 S   HC   _H24    42     1.08837   119.42303  -161.39896
   47    45 S   CM   _C5_    43     1.34450   121.98185    19.33902
   48    47 S   HC   _H25    44     1.08630   119.21039   178.00374
   49    33 S   CT   _C20    45     1.60814   110.55550   164.13050
   50    49 S   CT   _C18    46     1.59299   110.54408   173.03604
   51    50 S   HC   _H41    47     1.10141   106.94543    63.29452
   52    49 S   CT   _C22    78     1.55065   111.70072    49.89652
   53    52 S   HC   _H42    79     1.09418   111.91153    58.42028
   54    52 S   HC   _H43    80     1.09477   112.44900   -62.90038
   55    52 S   HC   _H44    81     1.09427   112.10619   179.29031
   56    50 S   CT   _C14    48     1.55906   114.65410   178.26325
   57    56 S   HC   _H35    49     1.09348   110.50340    57.15685
   58    56 S   HC   _H36    50     1.09594   109.99930   -59.97789
   59    50 S   CT   _C16    65     1.56015   112.54422   -52.11334
   60    59 S   HC   _H39    66     1.09626   109.59768   -63.26536
   61    56 S   CT   _C15    51     1.53986   113.68291   178.91592
   62    61 S   HC   _H37    52     1.09780   109.33553    69.12741
   63    61 S   HC   _H38    53     1.09683   109.66040  -175.15047
   64    59 S   CT   _C11    67     1.53227   110.27654    55.55717
   65    64 S   HC   _H29    68     1.09695   109.36604  -179.90309
   66    64 S   HC   _H30    69     1.09696   110.83177    63.82082
   67    61 S   CT   _C21    54     1.52500   110.75449   -52.67051
   68    67 S   CO4  _C9_    55     1.51790   116.55644   167.85503
   69    68 S   O    _O22    56     1.22383   124.74916    40.59267
   70    67 S   CT   _C23    74     1.53998   111.45149   -69.59348
   71    70 S   HC   _H45    75     1.09305   112.92565    62.67748
   72    70 S   HC   _H46    76     1.09683   110.17031   -57.29940
   73    70 S   HC   _H47    77     1.09538   112.42577  -175.63978
   74    68 S   CT   _C12    57     1.51928   111.33994  -140.89715
   75    74 S   HC   _H31    58     1.09377   108.83479   118.41166
   76    74 S   HC   _H32    59     1.09203   111.07490  -119.18820
   77    74 S   CT   _C13    60     1.53600   103.01764     0.43251
   78    77 S   HC   _H33    61     1.09438   110.87545   146.88816
   79    77 S   HC   _H34    62     1.09534   111.12174   -93.31558
   80    67 S   CT   _C17    63     1.54196   107.74831    58.57816
   81    80 S   HC   _H40    64     1.10422   108.43871    52.11340
  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
