* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    153    253     459
    1     0 S   NP   _N1_     1    29.27626    93.71291   -19.17187
    2     1 S   H    _HN1     2     1.02785    83.76198   -44.12398
    3     1 S   H    _H1_     3     1.02983   111.69479    62.97205
    4     1 S   H    _H2_     4     1.02829    24.60337   146.94731
    5     1 S   CT   _CA1     5     1.50118   126.69139  -157.15170
    6     5 S   HC   _HA1     6     1.09596   105.25374    37.81046
    7     5 S   CO3  _C1_     7     1.53770   112.19023   -82.06361
    8     7 S   O2Z  _O11     8     1.26344   115.14097   -51.95937
    9     7 S   O2Z  _O12     9     1.26240   114.88293   127.30237
   10     5 S   CT   _CB1    10     1.53070   107.26284   155.17629
   11    10 S   HC   HB11    11     1.09805   109.03205   -54.97755
   12    10 S   HC   HB12    12     1.09767   110.48416    61.21231
   13    10 S   CT   _CG1    13     1.52995   112.82952  -176.52729
   14    13 S   HC   HG11    14     1.09541   110.04281   -62.25430
   15    13 S   HC   HG12    15     1.09604   110.47019    56.62024
   16    13 S   C    _CD1    16     1.51813   111.47396   176.00924
   17    16 S   O    _OE1    17     1.22809   122.58163   -34.26651
   18    16 S   N    _N2_    18     1.38452   112.38711   147.44252
   19    18 S   H    _HN2    19     1.01576   119.18626     0.10087
   20    18 S   CT1  _CA2    20     1.46226   123.45550  -178.38869
   21    20 S   HC   _HA2    21     1.09725   109.42113   -18.60164
   22    20 S   C    _C2_    22     1.53439   108.18100  -134.39875
   23    22 S   O    _O2_    23     1.23021   122.34513  -145.26663
   24    20 S   CT   _CB2    32     1.53468   111.16357   103.81507
   25    24 S   HC   HB21    33     1.09315   109.06558    52.62515
   26    24 S   HC   HB22    34     1.09507   110.39448   170.79043
   27    22 S   N    _N3_    24     1.38531   113.30000    42.18146
   28    27 S   H    _HN3    25     1.01535   118.92519    -0.55848
   29    24 S   S    _SG2    35     1.83092   111.78013   -70.52592
   30    27 S   CT   _CA3    26     1.45431   123.26156   175.08259
   31    30 S   HC   HA31    27     1.09538   109.02166    28.44371
   32    30 S   HC   HA32    28     1.09489   107.17999   145.41872
   33    29 S   CT   _C18    36     1.87044   102.60711   150.99759
   34    33 S   OM   _O37    37     1.32429   107.03169   170.51173
   35    30 S   CO3  _C3_    29     1.52941   113.24916   -94.87330
   36    35 S   O2Z  _O31    30     1.26392   115.46341   -43.18195
   37    35 S   O2Z  _O32    31     1.26364   114.94061   137.74125
   38    33 S   CT   _C19    38     1.55703   110.58001   -69.08928
   39    38 S   HC   _H5_    39     1.09843   108.19640    62.65354
   40    33 S   CT   _C17    70     1.56464   110.78202    52.23535
   41    40 S   HC   _H4_    71     1.09327   109.48664   -52.71322
   42    38 S   CO4  _C20    40     1.53321   109.32090   176.10238
   43    42 S   O    _O33    41     1.23284   121.92330   122.21475
   44    40 S   NP   _N5_    72     1.50138   109.39441    61.45753
   45    44 S   H    _H17    73     1.02862   109.81369   -50.56451
   46    44 S   H    _H18    74     1.02590   113.35906  -171.27305
   47    44 S   H    _H19    75     1.02882   109.89121    66.31640
   48    38 S   C    _C23    78     1.54018   117.20179   -55.35154
   49    48 S   O    _O36    79     1.22729   125.16523   -22.97738
   50    42 S   CT   _C21    42     1.55042   116.15648   -59.14883
   51    48 S   N    _N4_    80     1.37993   112.68305   157.46535
   52    51 S   H    _H15    81     1.01458   122.64974     2.53667
   53    51 S   H    _H16    82     1.01708   120.35105   179.63470
   54    50 S   CMA  _C22    43     1.55359   114.08986   -71.80541
   55    54 S   OM   _O34    44     1.26695   110.69444   -39.31137
   56    50 S   OH   _O35    76     1.43914   105.85731   170.41339
   57    56 S   HO   _H14    77     0.97421   106.28608    69.08332
   58    54 S   CM   _C13    45     1.36461   118.90911   140.89474
   59    58 S   CM   _C14    46     1.46908   124.36565     2.23905
   60    58 S   CO4  _C12    57     1.50556   118.84469   179.88297
   61    60 S   O    _O38    58     1.22515   124.16240   -26.32676
   62    59 S   CM   _C5_    47     1.35392   121.67164  -165.67023
   63    59 S   CT   _C15    65     1.51262   114.49457    13.20049
   64    63 S   HC   _H12    66     1.09814   108.73752    75.11700
   65    63 S   HC   _H13    67     1.09182   113.18054  -168.06756
   66    62 S   CA   _C6_    48     1.49048   119.45955     4.57372
   67    62 S   CT   _C4_    61     1.50963   123.58392  -175.68970
   68    67 S   HC   _H6_    62     1.09494   110.58781  -102.58653
   69    67 S   HC   _H7_    63     1.09257   113.33429    18.95524
   70    67 S   HC   _H8_    64     1.09613   110.96738   136.37981
   71    50 S   CT   _C16    68     1.54745   107.97754    56.27896
   72    71 S   HC   _H3_    69     1.10008   108.48876    69.94363
   73    66 S   CA   _C7_    49     1.40833   121.51620   165.55239
   74    73 S   HA   _H9_    50     1.08719   121.41625    -1.59777
   75    73 S   CA   _C8_    51     1.39714   121.52348   178.98201
   76    75 S   HA   _H10    52     1.08644   119.92408   179.92598
   77    75 S   CA   _C9_    53     1.38827   120.06701     0.00000
   78    77 S   HA   _H11    54     1.08641   119.88246  -180.00000
   79    77 S   CA   _C10    55     1.39171   119.55203     0.41637
   80    66 S   CA   _C11    56     1.40577   120.74166   -14.62899
   81    79 S   OH   _O39    59     1.36957   115.89482   179.25244
   82    81 S   HO   _H20    60     0.97422   108.81041   176.99079
  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
  18   8   2   1   1  15   7  16   8  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  12  15   9   3  14   6   3
   2  12   5   2   1   1   1   1   7   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    71    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    63    71    72    40    41    44    45    46    47    48    49    51  
   38    39    42    71    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    71    40    41    44    56    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    56    48    42    50    54    59    63    64    65    71    72  
   44    45    46    47    50    63    71    72  
   43    50    54    55    58    63    71    72    56    57    48    49    51  
   50    54    71    56    48  
   45    46    47    50    63    71    72  
   46    47    71  
   47    71  
   71  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    60    63    64    65    71    72    56    57  
   52    53  
   53  
    0  
   55    58    59    62    80    60    61    63    71    72    56    57  
   58    59    60    71    56  
   57    58    63    71    72  
   71  
   59    62    66    79    80    60    61    67    63    64    65    71  
   62    66    73    80    60    61    67    68    69    70    63    64    65    71    72  
   61    81    63    62    66    73    77    79    80  
   66    79    80  
   66    73    74    75    79    80    67    68    69    70    63    64    65    71  
   64    65    71    72    66    67  
   65    71    72  
   71    72  
   73    74    75    76    77    79    80    81    67    68    69    70  
   68    69    70    73    80  
   69    70  
   70  
    0  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    80  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   80    81    82  
   81    82  
   82  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    48   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    54   270.000  1.512
   50    71   268.000  1.529
   50    56   320.000  1.410
   54    55   745.000  1.250
   54    58   465.000  1.376
   58    59   380.000  1.444
   58    60   320.000  1.462
   59    62   549.000  1.340
   59    63   317.000  1.510
   62    66   320.000  1.460
   62    67   317.000  1.510
   66    73   469.000  1.400
   66    80   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    60   310.000  1.470
   60    61   570.000  1.229
   81    82   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    48    63.00000  111.10000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    50    70.00000  116.00000
   38    48    49    80.00000  120.40000
   38    48    51    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    50    54    70.00000  109.06800
   42    50    71    63.00000  111.10000
   42    50    56    90.00000  109.61100
   50    42    43    80.00000  120.40000
   50    54    55    85.00000  112.85300
   50    54    58    65.00000  122.18000
   50    71    63    58.35000  112.70000
   50    71    72    37.50000  110.70000
   50    71    40    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    70.00000  117.34000
   54    58    60    60.00000  125.92000
   58    54    55    65.00000  137.10300
   58    59    62    70.00000  123.01800
   58    59    63    70.00000  124.00000
   58    60    80    65.00000  117.02400
   58    60    61    80.00000  123.72100
   59    62    66    60.00000  123.20500
   59    62    67    70.00000  124.00000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    71    70.00000  112.02700
   62    66    73    60.00000  120.93500
   62    66    80    60.00000  120.93500
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   66    80    79    63.00000  120.00000
   66    80    60    60.00000  119.52600
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    81    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    60    60.00000  119.52600
   79    81    82    35.00000  113.00000
   80    66    73    63.00000  120.00000
   80    60    61    75.00000  123.78400
   60    58    59    65.00000  118.96000
   81    79    80    70.00000  120.00000
   67    62    66    65.00000  118.87000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    59    62    70.00000  124.00000
   63    71    72    37.50000  110.70000
   63    71    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    50    54    70.00000  112.02700
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   44    40    41    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  110.39200
   56    50    71    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  107.85200
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.60050  1.0 1.0
   33    38    42    50   0.05600 -1.0 2.0
   33    38    42    50   0.26150  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    51   1.39750  1.0 1.0
   33    38    48    51  -0.07950 -1.0 2.0
   33    38    48    51  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    46   0.17350  1.0 3.0
   33    40    44    47   0.17350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    48  -0.09450  1.0 1.0
   34    33    38    48  -1.12950 -1.0 2.0
   34    33    38    48   0.54000  1.0 3.0
   34    33    40    71   0.62750  1.0 1.0
   34    33    40    71  -0.30950 -1.0 2.0
   34    33    40    71   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    71   0.56750  1.0 1.0
   38    33    40    71  -0.07550 -1.0 2.0
   38    33    40    71   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    50    54   0.65300  1.0 1.0
   38    42    50    54  -0.03850 -1.0 2.0
   38    42    50    54   0.33900  1.0 3.0
   38    42   -50    71   0.60050  1.0 1.0
   38    42   -50    71   0.05600 -1.0 2.0
   38    42   -50    71   0.26150  1.0 3.0
   38    42    50    56   0.55300  1.0 1.0
   38    42    50    56   1.25850 -1.0 2.0
   38    42    50    56  -0.23600  1.0 3.0
   38    48    51    52   2.45000 -1.0 2.0
   38    48    51    53   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    51   0.00000  1.0 1.0
   42    50    54    55   0.09700  1.0 1.0
   42    50    54    55   0.15600 -1.0 2.0
   42    50    54    55  -0.50800  1.0 3.0
   42    50    54    58  -0.51250  1.0 1.0
   42    50    54    58  -0.88800 -1.0 2.0
   42    50    54    58   0.08850  1.0 3.0
   42    50    71    63  -0.95700  1.0 1.0
   42    50    71    63  -0.18200 -1.0 2.0
   42    50    71    63   0.29450  1.0 3.0
   42    50    71    72  -0.11250  1.0 3.0
   42    50    71    40  -0.95700  1.0 1.0
   42    50    71    40  -0.18200 -1.0 2.0
   42    50    71    40   0.29450  1.0 3.0
   42    50    56    57   0.91850  1.0 1.0
   42    50    56    57   0.57950  1.0 3.0
   43    42    50    54   0.30150 -1.0 2.0
   43    42    50    71   0.30150 -1.0 2.0
   43    42    50    56   0.30150 -1.0 2.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    60   7.00000 -1.0 2.0
   50    71   -40    33   0.56750  1.0 1.0
   50    71   -40    33  -0.07550 -1.0 2.0
   50    71   -40    33   0.20000  1.0 3.0
   50    71    40    41   0.15000  1.0 3.0
   50    71    40    44   1.36600  1.0 1.0
   50    71    40    44  -0.11450 -1.0 2.0
   50    71    40    44   0.24250  1.0 3.0
   54    50    71    63   0.34400  1.0 1.0
   54    50    71    63   0.09450 -1.0 2.0
   54    50    71    63   0.11100  1.0 3.0
   54    50    71    72   0.15000  1.0 3.0
   54    50    71    40   0.34400  1.0 1.0
   54    50    71    40   0.09450 -1.0 2.0
   54    50    71    40   0.11100  1.0 3.0
   54    50    56    57  -0.07800  1.0 1.0
   54    50    56    57  -0.21500 -1.0 2.0
   54    50    56    57  -0.03150  1.0 3.0
   54    58    59    62   0.28850  1.0 1.0
   54    58    59    62   2.61350 -1.0 2.0
   54    58    59    62   0.78400  1.0 3.0
   54    58   -59    63  -0.18600  1.0 3.0
   54    58    60    80  -1.65800  1.0 1.0
   54    58    60    80   0.77650 -1.0 2.0
   54    58    60    61   1.00000 -1.0 2.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    60   7.00000 -1.0 2.0
   58    59    62    66   7.00000 -1.0 2.0
   58    59    62    67   7.00000 -1.0 2.0
   58    59    63    64   0.00000  1.0 1.0
   58    59    63    65   0.00000  1.0 1.0
   58    59    63    71   0.98200  1.0 1.0
   58    59    63    71  -0.11900 -1.0 2.0
   58    59    63    71   0.24250  1.0 3.0
   59    58    60    80  -1.65800  1.0 1.0
   59    58    60    80   0.77650 -1.0 2.0
   59    58    60    61   1.00000 -1.0 2.0
   59    62    66    73   0.15800  1.0 1.0
   59    62    66    73   1.85350 -1.0 2.0
   59    62    66    73  -0.48700  1.0 3.0
   59    62   -66    80   0.15800  1.0 1.0
   59    62   -66    80   1.85350 -1.0 2.0
   59    62   -66    80  -0.48700  1.0 3.0
   59    62    67    68   0.00000  1.0 1.0
   59    62    67    69   0.00000  1.0 1.0
   59    62    67    70   0.00000  1.0 1.0
   59    63   -71    50   0.34400  1.0 1.0
   59    63   -71    50   0.09450 -1.0 2.0
   59    63   -71    50   0.11100  1.0 3.0
   59    63    71    72   0.15000  1.0 3.0
   59    63    71    40   0.34400  1.0 1.0
   59    63    71    40   0.09450 -1.0 2.0
   59    63    71    40   0.11100  1.0 3.0
   62    59    63    64   0.00000  1.0 1.0
   62    59    63    65   0.00000  1.0 1.0
   62    59    63    71   0.09850  1.0 1.0
   62    59    63    71   0.15250 -1.0 2.0
   62    59    63    71  -0.50650  1.0 3.0
   62    66    73    74   3.62500 -1.0 2.0
   62    66    73    75   3.62500 -1.0 2.0
   62    66    80    79   3.62500 -1.0 2.0
   62    66    80    60   3.62500 -1.0 2.0
   66    62    67    68   0.77000  1.0 3.0
   66    62    67    69   0.77000  1.0 3.0
   66    62    67    70   0.77000  1.0 3.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73    75    77   3.62500 -1.0 2.0
   66    80   -60    58  -0.11500  1.0 1.0
   66    80   -60    58   1.10450 -1.0 2.0
   66    80   -60    58  -0.48050  1.0 3.0
   66    80    60    61   1.05000 -1.0 2.0
   73    66    80    79   3.62500 -1.0 2.0
   73    66    80    60   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -80    66   3.62500 -1.0 2.0
   77    79    80    60   3.62500 -1.0 2.0
   77    79    81    82   0.84100 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    80    60    58  -0.11500  1.0 1.0
   79    80    60    58   1.10450 -1.0 2.0
   79    80    60    58  -0.48050  1.0 3.0
   79    80    60    61   1.05000 -1.0 2.0
   80    66    73    74   3.62500 -1.0 2.0
   80    66   -73    75   3.62500 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   60    58   -59    62  -0.18600  1.0 3.0
   60    58    59    63   1.08500 -1.0 2.0
   81    79    80    66   3.62500 -1.0 2.0
   81    79    80    60   3.62500 -1.0 2.0
   67    62    66    73  -0.02500  1.0 1.0
   67    62    66    73  -0.32150 -1.0 2.0
   67    62    66    73  -0.01500  1.0 3.0
   67    62    66    80  -0.02500  1.0 1.0
   67    62    66    80  -0.32150 -1.0 2.0
   67    62    66    80  -0.01500  1.0 3.0
   63    59    62    66   7.00000 -1.0 2.0
   63    59    62    67   7.00000 -1.0 2.0
   63    71    40    33   0.56750  1.0 1.0
   63    71    40    33  -0.07550 -1.0 2.0
   63    71    40    33   0.20000  1.0 3.0
   63    71    40    41   0.15000  1.0 3.0
   63    71    40    44   1.36600  1.0 1.0
   63    71    40    44  -0.11450 -1.0 2.0
   63    71    40    44   0.24250  1.0 3.0
   64    63    71    50   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    40   0.15000  1.0 3.0
   65    63    71    50   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    40   0.15000  1.0 3.0
   71    50    54    55   0.09700  1.0 1.0
   71    50    54    55   0.15600 -1.0 2.0
   71    50    54    55  -0.50800  1.0 3.0
   71    50   -54    58   0.09850  1.0 1.0
   71    50   -54    58   0.15250 -1.0 2.0
   71    50   -54    58  -0.50650  1.0 3.0
   71    50    56    57  -0.11600  1.0 1.0
   71    50    56    57  -0.09450 -1.0 2.0
   71    50    56    57   0.21250  1.0 3.0
   71    40    44    45   0.17350  1.0 3.0
   71    40    44    46   0.17350  1.0 3.0
   71    40    44    47   0.17350  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    46   0.13050  1.0 3.0
   41    40    44    47   0.13050  1.0 3.0
   56    50    54    55   0.09700  1.0 1.0
   56    50    54    55   0.15600 -1.0 2.0
   56    50    54    55  -0.50800  1.0 3.0
   56    50    54    58   0.67800  1.0 1.0
   56    50    54    58   0.47050 -1.0 2.0
   56    50    54    58  -0.62500  1.0 3.0
   56    50    71    63   0.86500  1.0 1.0
   56    50    71    63  -0.17500 -1.0 2.0
   56    50    71    63   0.20800  1.0 3.0
   56    50    71    72   0.23400  1.0 3.0
   56    50    71    40   0.86500  1.0 1.0
   56    50    71    40  -0.17500 -1.0 2.0
   56    50    71    40   0.20800  1.0 3.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.65300  1.0 1.0
   48    38    42    50  -0.03850 -1.0 2.0
   48    38    42    50   0.33900  1.0 3.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -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
   38    50    42    43  10.50000 -1.0 2.0
   50    55    54    58   1.10000 -1.0 2.0
   59    60    58    54   1.10000 -1.0 2.0
   58    63    59    62   1.10000 -1.0 2.0
   66    67    62    59   1.10000 -1.0 2.0
   73    80    66    62   4.00000 -1.0 2.0
   75    74    73    66   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    81    79    77   4.00000 -1.0 2.0
   79    60    80    66   4.00000 -1.0 2.0
   58    80    60    61  10.50000 -1.0 2.0
   38    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
