* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    153    253     459
    1     0 S   NP   _N1_     1    28.76600    96.12451   -22.41515
    2     1 S   H    _HN1     2     1.02770   104.12527  -108.11958
    3     1 S   H    _H1_     3     1.02945    79.29224    -1.60132
    4     1 S   H    _H2_     4     1.02820    31.42100   150.48691
    5     1 S   CT   _CA1     5     1.50178   136.02376   106.61451
    6     5 S   HC   _HA1     6     1.09578   105.12768    82.06961
    7     5 S   CO3  _C1_     7     1.53811   112.28989   -38.00099
    8     7 S   O2Z  _O11     8     1.26398   114.91097   -42.10387
    9     7 S   O2Z  _O12     9     1.26213   114.98240   136.50950
   10     5 S   CT   _CB1    10     1.53083   107.35135  -159.96861
   11    10 S   HC   HB11    11     1.09828   109.36106   -48.13385
   12    10 S   HC   HB12    12     1.09797   110.58215    68.58410
   13    10 S   CT   _CG1    13     1.52897   112.43662  -168.99923
   14    13 S   HC   HG11    14     1.09583   110.68252   -66.26949
   15    13 S   HC   HG12    15     1.09615   109.48447    53.02536
   16    13 S   C    _CD1    16     1.51772   112.46210   172.75668
   17    16 S   O    _OE1    17     1.22724   123.35279     3.37174
   18    16 S   N    _N2_    18     1.38636   111.51735  -175.96129
   19    18 S   H    _HN2    19     1.01434   118.83697     0.45542
   20    18 S   CT1  _CA2    20     1.46092   123.55040   177.02948
   21    20 S   HC   _HA2    21     1.09686   109.21067     6.28806
   22    20 S   C    _C2_    22     1.53740   109.53692  -110.00019
   23    22 S   O    _O2_    23     1.23126   121.81905  -158.87328
   24    20 S   CT   _CB2    32     1.53539   111.76692   128.37739
   25    24 S   HC   HB21    33     1.09306   108.79740    62.12225
   26    24 S   HC   HB22    34     1.09434   109.67245  -179.67494
   27    22 S   N    _N3_    24     1.38141   114.37916    27.17885
   28    27 S   H    _HN3    25     1.01561   119.40820    -1.28770
   29    24 S   S    _SG2    35     1.83004   111.75610   -58.09888
   30    27 S   CT   _CA3    26     1.45277   123.44654   178.23608
   31    30 S   HC   HA31    27     1.09515   107.38718   -75.28465
   32    30 S   HC   HA32    28     1.09554   108.37622    41.29840
   33    29 S   CT   _C20    36     1.87186   103.00722  -168.68561
   34    33 S   OM   _O38    37     1.32487   107.34897    67.59238
   35    30 S   CO3  _C3_    29     1.52945   113.66147   164.07779
   36    35 S   O2Z  _O31    30     1.26380   115.92443    18.79959
   37    35 S   O2Z  _O32    31     1.26392   114.55526  -161.09736
   38    33 S   CT   _C21    38     1.56039   108.63216  -174.03303
   39    38 S   HC   _H5_    39     1.10350   108.26584  -178.97512
   40    33 S   CT   _C19    70     1.56677   112.36604   -52.93535
   41    40 S   HC   _H4_    71     1.09126   110.92234    37.86393
   42    38 S   CO4  _C22    40     1.53746   112.94655    67.48873
   43    42 S   O    _O36    41     1.23677   120.00959  -158.05299
   44    40 S   NP   _N5_    72     1.51948   109.77212   149.48205
   45    44 S   H    _H16    73     1.02745   111.69773    65.93351
   46    44 S   H    _H17    74     1.03002   108.51427   -51.17533
   47    44 S   H    _H18    75     1.02681   112.67432  -171.03939
   48    38 S   C    _C23    78     1.54394   114.37696   -61.11429
   49    48 S   O    _O37    79     1.22884   123.82517    91.33640
   50    42 S   CT   _C16    42     1.55226   118.88299    27.58993
   51    48 S   N    _N4_    80     1.37708   113.82434   -89.20472
   52    51 S   H    _H14    81     1.01386   122.15646     4.99403
   53    51 S   H    _H15    82     1.01339   120.32735  -179.91153
   54    50 S   CMA  _C15    43     1.55044   117.41277  -106.83234
   55    54 S   OM   _O35    44     1.26568   111.23688   -37.12439
   56    50 S   OH   _O39    76     1.45166   102.28175   137.57751
   57    56 S   HO   _H19    77     0.97511   106.00852    71.53321
   58    54 S   CM   _C7_    45     1.36205   118.67723   144.46425
   59    58 S   CM   _C6_    46     1.45958   124.58141     0.27124
   60    59 S   CM   _C5_    47     1.35380   121.14865  -162.73942
   61    59 S   CT   _C18    65     1.51227   114.64675    17.33948
   62    61 S   HC   _H12    66     1.09767   109.13273    73.62593
   63    61 S   HC   _H13    67     1.09445   112.51056  -168.62426
   64    60 S   CA   _C10    48     1.49923   119.56027     7.32831
   65    60 S   CT   _C4_    61     1.50675   121.13313  -169.07088
   66    65 S   HC   _H6_    62     1.09394   111.16372   -91.24223
   67    65 S   HC   _H7_    63     1.09552   111.80529    29.27947
   68    65 S   HC   _H8_    64     1.09515   111.57407   145.63716
   69    50 S   CT   _C17    68     1.53904   109.13194    26.29849
   70    69 S   HC   _H3_    69     1.10138   106.91270    67.84159
   71    64 S   CA   _C9_    49     1.41547   118.09472   -24.64783
   72    58 S   CO4  _C8_    50     1.50256   119.72568   175.14090
   73    72 S   O    _O34    51     1.22415   123.99243   -30.47639
   74    71 S   CA   _C14    52     1.40684   121.21530  -173.15504
   75    74 S   CA   _C13    53     1.38751   120.48342    -2.89692
   76    75 S   HA   _H10    54     1.08669   120.71293  -178.95470
   77    74 S   OH   _O33    59     1.36840   123.87052   178.68121
   78    77 S   HO   _H11    60     0.97483   109.69896    -0.48335
   79    75 S   CA   _C12    55     1.38712   119.40542    -1.59078
   80    79 S   HA   _H9_    56     1.08826   118.60156  -176.58373
   81    64 S   CA   _C11    57     1.41520   125.25218   155.75975
   82    81 S   Cl   Cl1_    58     1.73389   124.00197   -11.23025
  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  15   7   3   2  14
   5   2   1   1   1   1  10   5   1   7   7   4   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    69    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    61    69    70    40    41    44    45    46    47    48    49    51  
   38    39    42    69    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    69    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    61    62    63    69    70  
   44    45    46    47    50    61    69    70  
   43    50    54    55    58    61    69    70    56    57    48    49    51  
   50    54    69    56    48  
   45    46    47    50    61    69    70  
   46    47    69  
   47    69  
   69  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    72    61    62    63    69    70    56    57  
   52    53  
   53  
    0  
   55    58    59    60    71    72    73    61    69    70    56    57  
   58    59    72    69    56  
   57    58    61    69    70  
   69  
   59    60    64    71    72    73    74    65    61    62    63    69  
   60    64    71    72    73    81    65    66    67    68    61    62    63    69    70  
   64    71    72    74    79    81    82    65    66    67    68    61    62    63    69  
   62    63    69    70    64    65    72  
   63    69    70  
   69    70  
   71    72    73    74    75    79    80    81    82    77    65    66    67    68  
   66    67    68    71    81  
   67    68  
   68  
    0  
   70  
    0  
   72    73    74    75    76    79    81    82    77    78  
   73    74    75    81    77  
   74  
   75    76    79    80    81    77    78  
   76    79    80    81    82    77    78  
   79    80    81    77  
   78    79  
    0  
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    69   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    72   320.000  1.462
   59    60   549.000  1.340
   59    61   317.000  1.510
   60    64   320.000  1.460
   60    65   317.000  1.510
   64    71   469.000  1.400
   64    81   469.000  1.400
   71    72   310.000  1.470
   71    74   469.000  1.400
   72    73   570.000  1.229
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   300.000  1.725
   77    78   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    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    69    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    69    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    69    61    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    40    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    70.00000  117.34000
   54    58    72    60.00000  125.92000
   58    54    55    65.00000  137.10300
   58    59    60    70.00000  123.01800
   58    59    61    70.00000  124.00000
   58    72    71    65.00000  117.02400
   58    72    73    80.00000  123.72100
   59    60    64    60.00000  123.20500
   59    60    65    70.00000  124.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    69    70.00000  112.02700
   60    64    71    60.00000  120.93500
   60    64    81    60.00000  120.93500
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    71    72    60.00000  119.52600
   64    71    74    63.00000  120.00000
   64    81    79    63.00000  120.00000
   64    81    82    75.00000  120.00000
   71    72    73    75.00000  123.78400
   71    74    75    63.00000  120.00000
   71    74    77    70.00000  120.00000
   72    58    59    65.00000  118.96000
   74    71    72    60.00000  119.52600
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    35.00000  120.00000
   75    79    81    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    81    82    75.00000  120.00000
   81    64    71    63.00000  120.00000
   81    79    80    35.00000  120.00000
   77    74    75    70.00000  120.00000
   65    60    64    65.00000  118.87000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   61    59    60    70.00000  124.00000
   61    69    70    37.50000  110.70000
   61    69    40    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    50    54    70.00000  112.02700
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    40    41    37.50000  110.70000
   69    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    69    70    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    69    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    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   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    69   0.62750  1.0 1.0
   34    33    40    69  -0.30950 -1.0 2.0
   34    33    40    69   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    69   0.56750  1.0 1.0
   38    33    40    69  -0.07550 -1.0 2.0
   38    33    40    69   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    69   0.60050  1.0 1.0
   38    42   -50    69   0.05600 -1.0 2.0
   38    42   -50    69   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    69    61  -0.95700  1.0 1.0
   42    50    69    61  -0.18200 -1.0 2.0
   42    50    69    61   0.29450  1.0 3.0
   42    50    69    70  -0.11250  1.0 3.0
   42    50    69    40  -0.95700  1.0 1.0
   42    50    69    40  -0.18200 -1.0 2.0
   42    50    69    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    69   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    72   7.00000 -1.0 2.0
   50    69   -40    33   0.56750  1.0 1.0
   50    69   -40    33  -0.07550 -1.0 2.0
   50    69   -40    33   0.20000  1.0 3.0
   50    69    40    41   0.15000  1.0 3.0
   50    69    40    44   1.36600  1.0 1.0
   50    69    40    44  -0.11450 -1.0 2.0
   50    69    40    44   0.24250  1.0 3.0
   54    50    69    61   0.34400  1.0 1.0
   54    50    69    61   0.09450 -1.0 2.0
   54    50    69    61   0.11100  1.0 3.0
   54    50    69    70   0.15000  1.0 3.0
   54    50    69    40   0.34400  1.0 1.0
   54    50    69    40   0.09450 -1.0 2.0
   54    50    69    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    60   0.28850  1.0 1.0
   54    58    59    60   2.61350 -1.0 2.0
   54    58    59    60   0.78400  1.0 3.0
   54    58   -59    61  -0.18600  1.0 3.0
   54    58    72    71  -1.65800  1.0 1.0
   54    58    72    71   0.77650 -1.0 2.0
   54    58    72    73   1.00000 -1.0 2.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    72   7.00000 -1.0 2.0
   58    59    60    64   7.00000 -1.0 2.0
   58    59    60    65   7.00000 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.00000  1.0 1.0
   58    59    61    69   0.98200  1.0 1.0
   58    59    61    69  -0.11900 -1.0 2.0
   58    59    61    69   0.24250  1.0 3.0
   59    58    72    71  -1.65800  1.0 1.0
   59    58    72    71   0.77650 -1.0 2.0
   59    58    72    73   1.00000 -1.0 2.0
   59    60   -64    71   0.15800  1.0 1.0
   59    60   -64    71   1.85350 -1.0 2.0
   59    60   -64    71  -0.48700  1.0 3.0
   59    60    64    81   0.15800  1.0 1.0
   59    60    64    81   1.85350 -1.0 2.0
   59    60    64    81  -0.48700  1.0 3.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    68   0.00000  1.0 1.0
   59    61   -69    50   0.34400  1.0 1.0
   59    61   -69    50   0.09450 -1.0 2.0
   59    61   -69    50   0.11100  1.0 3.0
   59    61    69    70   0.15000  1.0 3.0
   59    61    69    40   0.34400  1.0 1.0
   59    61    69    40   0.09450 -1.0 2.0
   59    61    69    40   0.11100  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    69   0.09850  1.0 1.0
   60    59    61    69   0.15250 -1.0 2.0
   60    59    61    69  -0.50650  1.0 3.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    74   3.62500 -1.0 2.0
   60    64    81    79   3.62500 -1.0 2.0
   60    64    81    82   3.62500 -1.0 2.0
   64    60    65    66   0.77000  1.0 3.0
   64    60    65    67   0.77000  1.0 3.0
   64    60    65    68   0.77000  1.0 3.0
   64    71   -72    58  -0.11500  1.0 1.0
   64    71   -72    58   1.10450 -1.0 2.0
   64    71   -72    58  -0.48050  1.0 3.0
   64    71    72    73   1.05000 -1.0 2.0
   64    71    74    75   3.62500 -1.0 2.0
   64    71    74    77   3.62500 -1.0 2.0
   71    64    81    79   3.62500 -1.0 2.0
   71    64    81    82   3.62500 -1.0 2.0
   71    74    75    76   3.62500 -1.0 2.0
   71    74   -75    79   3.62500 -1.0 2.0
   71    74    77    78   0.84100 -1.0 2.0
   72    58   -59    60  -0.18600  1.0 3.0
   72    58    59    61   1.08500 -1.0 2.0
   72    71    74    75   3.62500 -1.0 2.0
   72    71    74    77   3.62500 -1.0 2.0
   74    71    72    58  -0.11500  1.0 1.0
   74    71    72    58   1.10450 -1.0 2.0
   74    71    72    58  -0.48050  1.0 3.0
   74    71    72    73   1.05000 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75    79    81   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79   -81    64   3.62500 -1.0 2.0
   75    79    81    82   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   80    79    81    64   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    64    71    72   3.62500 -1.0 2.0
   81    64   -71    74   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   65    60    64    71  -0.02500  1.0 1.0
   65    60    64    71  -0.32150 -1.0 2.0
   65    60    64    71  -0.01500  1.0 3.0
   65    60    64    81  -0.02500  1.0 1.0
   65    60    64    81  -0.32150 -1.0 2.0
   65    60    64    81  -0.01500  1.0 3.0
   61    59    60    64   7.00000 -1.0 2.0
   61    59    60    65   7.00000 -1.0 2.0
   61    69    40    33   0.56750  1.0 1.0
   61    69    40    33  -0.07550 -1.0 2.0
   61    69    40    33   0.20000  1.0 3.0
   61    69    40    41   0.15000  1.0 3.0
   61    69    40    44   1.36600  1.0 1.0
   61    69    40    44  -0.11450 -1.0 2.0
   61    69    40    44   0.24250  1.0 3.0
   62    61    69    50   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    40   0.15000  1.0 3.0
   63    61    69    50   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    40   0.15000  1.0 3.0
   69    50    54    55   0.09700  1.0 1.0
   69    50    54    55   0.15600 -1.0 2.0
   69    50    54    55  -0.50800  1.0 3.0
   69    50   -54    58   0.09850  1.0 1.0
   69    50   -54    58   0.15250 -1.0 2.0
   69    50   -54    58  -0.50650  1.0 3.0
   69    50    56    57  -0.11600  1.0 1.0
   69    50    56    57  -0.09450 -1.0 2.0
   69    50    56    57   0.21250  1.0 3.0
   69    40    44    45   0.17350  1.0 3.0
   69    40    44    46   0.17350  1.0 3.0
   69    40    44    47   0.17350  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   70    69    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    69    61   0.86500  1.0 1.0
   56    50    69    61  -0.17500 -1.0 2.0
   56    50    69    61   0.20800  1.0 3.0
   56    50    69    70   0.23400  1.0 3.0
   56    50    69    40   0.86500  1.0 1.0
   56    50    69    40  -0.17500 -1.0 2.0
   56    50    69    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    72    58    54   1.10000 -1.0 2.0
   58    61    59    60   1.10000 -1.0 2.0
   64    65    60    59   1.10000 -1.0 2.0
   71    81    64    60   4.00000 -1.0 2.0
   72    74    71    64   4.00000 -1.0 2.0
   58    71    72    73  10.50000 -1.0 2.0
   75    77    74    71   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   81    80    79    75   1.10000 -1.0 2.0
   79    82    81    64   4.00000 -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
