* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    156    247     471
    1     0 S   NP   _N1_     1    29.02139    95.87643   -19.09801
    2     1 S   H    _HN1     2     1.02962    94.67405    41.04686
    3     1 S   H    _H1_     3     1.02836    40.69794   151.87284
    4     1 S   H    _H2_     4     1.02778    75.73672   -66.70169
    5     1 S   CT   _CA1     5     1.50137   148.27435  -176.08799
    6     5 S   HC   _HA1     6     1.09567   105.24962    37.47575
    7     5 S   CO3  _C1_     7     1.53834   112.31331   -82.79652
    8     7 S   O2Z  _O11     8     1.26369   115.00337   -43.21654
    9     7 S   O2Z  _O12     9     1.26234   114.94775   135.97713
   10     5 S   CT   _CB1    10     1.53102   107.41611   155.47548
   11    10 S   HC   HB11    11     1.09816   109.44174   -49.21196
   12    10 S   HC   HB12    12     1.09831   110.36419    67.36798
   13    10 S   CT   _CG1    13     1.53018   112.69648  -170.33698
   14    13 S   HC   HG11    14     1.09499   110.39662   -59.75990
   15    13 S   HC   HG12    15     1.09627   110.16850    59.26270
   16    13 S   C    _CD1    16     1.51831   112.04744   179.20377
   17    16 S   O    _OE1    17     1.22742   123.06544   -16.55594
   18    16 S   N    _N2_    18     1.38563   111.83249   164.59270
   19    18 S   H    _HN2    19     1.01593   119.03832     0.40445
   20    18 S   CT1  _CA2    20     1.46276   123.48667  -179.23895
   21    20 S   HC   _HA2    21     1.09735   109.34663   -15.69788
   22    20 S   C    _C2_    22     1.53448   108.25291  -131.30739
   23    22 S   O    _O2_    23     1.23007   122.29261  -146.27511
   24    20 S   CT   _CB2    32     1.53435   111.27475   106.53226
   25    24 S   HC   HB21    33     1.09450   109.58067    52.91433
   26    24 S   HC   HB22    34     1.09502   110.73142   171.66945
   27    22 S   N    _N3_    24     1.38529   113.32570    41.18194
   28    27 S   H    _HN3    25     1.01532   118.88672    -0.62932
   29    24 S   S    _SG2    35     1.82837   111.70731   -69.05592
   30    27 S   CT   _CA3    26     1.45458   123.49218   175.09911
   31    30 S   HC   HA31    27     1.09520   109.26664    23.46721
   32    30 S   HC   HA32    28     1.09495   107.09949   140.48285
   33    29 S   CT   _C7_    36     1.84910    99.83343   163.00855
   34    33 S   HC   _H4_    37     1.09723   105.34231    36.50508
   35    30 S   CO3  _C3_    29     1.52933   113.15788  -100.03333
   36    35 S   O2Z  _O31    30     1.26402   115.43956   -43.19520
   37    35 S   O2Z  _O32    31     1.26362   114.96459   137.76207
   38    33 S   CT   _C8_    38     1.55161   113.46457   152.29935
   39    38 S   HC   _H5_    39     1.09872   106.56396  -164.80384
   40    33 S   CT   _C6_    54     1.54754   110.13846   -81.30613
   41    40 S   HC   _H3_    55     1.09395   109.53389    43.99116
   42    38 S   CT   _C9_    40     1.55442   114.69110    76.03094
   43    40 S   OS   _O34    56     1.44556   108.68912   161.20581
   44    38 S   CO4  _C20    80     1.52959   109.55453   -54.40035
   45    44 S   O    _O37    81     1.22597   125.38367   134.89447
   46    44 S   HC   _H27    82     1.10483   114.85679   -48.38792
   47    42 S   CT   _C10    41     1.59145   111.78992    52.82909
   48    43 S   CO4  _C5_    57     1.36285   117.95495   -81.79516
   49    48 S   O    _O33    58     1.22278   126.43679     0.34943
   50    42 S   CO4  _C19    75     1.53288   109.58880   176.05335
   51    50 S   O    _O35    76     1.22811   123.83446   136.61769
   52    50 S   HC   _H25    77     1.10387   115.91035   -45.36482
   53    42 S   OH   _O36    78     1.42874   108.16454   -68.34325
   54    53 S   HO   _H26    79     0.97286   108.52052  -158.98078
   55    47 S   CT   _C15    42     1.55846   110.36773  -172.59920
   56    55 S   HC   _H14    43     1.09645   110.47584    50.74848
   57    55 S   HC   _H15    44     1.09678   110.45616   -66.40390
   58    48 S   CT   _C4_    59     1.49815   109.38858  -179.77619
   59    58 S   HC   _H7_    60     1.09291   109.79564   -61.22420
   60    58 S   HC   _H8_    61     1.09372   109.37407   179.68721
   61    58 S   HC   _H9_    62     1.09294   109.81662    60.63342
   62    47 S   CT   _C18    71     1.55272   109.08431    69.98000
   63    62 S   HC   _H22    72     1.09099   113.52745   -51.56246
   64    62 S   HC   _H23    73     1.08655   113.29325  -174.10472
   65    62 S   HC   _H24    74     1.09665   110.85773    67.82271
   66    55 S   CT   _C14    45     1.52495   113.40253   171.29940
   67    66 S   HC   _H12    46     1.09427   111.29820    63.20063
   68    66 S   HC   _H13    47     1.09675   108.87526   179.89721
   69    66 S   CT   _C13    48     1.52085   110.64114   -60.47439
   70    69 S   HC   _H10    49     1.09759   109.06819  -178.25056
   71    69 S   HC   _H11    50     1.09895   107.92145   -63.74533
   72    69 S   CT   _C12    51     1.55020   113.97480    57.87820
   73    47 S   CT   _C11    52     1.58515   107.80557   -54.78908
   74    73 S   HC   _H6_    53     1.10118   103.64817   -55.21366
   75    72 S   CT   _C16    63     1.53971   109.46294    79.04593
   76    75 S   HC   _H16    64     1.09304   112.02259   175.24832
   77    75 S   HC   _H17    65     1.09766   110.38105    57.31530
   78    75 S   HC   _H18    66     1.08778   113.62587   -61.39579
   79    72 S   CT   _C17    67     1.55468   106.13015  -167.38052
   80    79 S   HC   _H19    68     1.09437   112.17687  -171.83523
   81    79 S   HC   _H20    69     1.09507   111.17871    67.17405
   82    79 S   HC   _H21    70     1.09666   111.05441   -52.29438
  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
  17   8   2   1   1  17   8  16   6  20  10   5   1   1  21   6
   4   7   2   1   4   1  15   7   6   3   2   1   1   7   3   2
   1   9   5   4  13   5   4  10   9   2   7   3   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    73    40    41    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    72    73    74    40    41    43    48    50    53    44    45    46  
   38    39    42    73    40    41    43    44  
   36    37  
   37  
    0  
   39    42    47    55    73    40    41    43    62    50    51    52    53    54    44    45    46  
   42    47    40    50    53    44    45    46  
   41    43    48    49    58    75    79    62    44    42    47    55    69    72    73    74  
   43    48    47    72    73    74  
   47    55    56    57    66    72    73    74    62    63    64    65    50    51    52    53    54    44    45    46  
   48    49    58    59    60    61    47    72    73    74  
   45    46    47    50    53  
   46  
    0  
   55    56    57    66    67    68    69    72    73    74    75    79    62    63    64    65    50    51    52    53    54  
   49    58    59    60    61    73  
   58    59    60    61  
   51    52    53    54    55    62    73  
   52    53  
   53  
   54    55    62    73  
    0  
   56    57    66    67    68    69    70    71    72    73    74    62    63    64    65  
   57    66    67    68    69    73    62  
   66    67    68    69    73    62  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    72    73    74  
   64    65    73  
   65    73  
   73  
   67    68    69    70    71    72    73    75    79  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78    79    80    81    82  
   71    72    73    75    79  
   72    73    75    79  
   73    74    75    76    77    78    79    80    81    82  
   74    75    76    77    78    79    80    81    82  
   75    79  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    44   317.000  1.522
   42    47   268.000  1.529
   42    50   317.000  1.522
   42    53   320.000  1.410
   47    55   268.000  1.529
   47    73   268.000  1.529
   47    62   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    79   268.000  1.529
   73    74   340.000  1.090
   73    40   268.000  1.529
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    48   214.000  1.327
   48    49   570.000  1.229
   48    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   50    51   570.000  1.229
   50    52   340.000  1.090
   53    54   553.000  0.945
   44    45   570.000  1.229
   44    46   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    44    63.00000  111.10000
   33    40    73    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    42    50    63.00000  111.10000
   38    42    53    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    46    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    47    55    58.35000  112.70000
   42    47    73    58.35000  112.70000
   42    47    62    58.35000  112.70000
   42    50    51    80.00000  120.40000
   42    50    52    35.00000  115.00000
   42    53    54    55.00000  108.50000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    66    58.35000  112.70000
   47    73    72    58.35000  112.70000
   47    73    74    37.50000  110.70000
   47    73    40    58.35000  112.70000
   47    62    63    37.50000  110.70000
   47    62    64    37.50000  110.70000
   47    62    65    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   66    55    56    37.50000  110.70000
   66    55    57    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    75    58.35000  112.70000
   69    72    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    40    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   73    47    55    58.35000  112.70000
   73    40    41    37.50000  110.70000
   73    40    43    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    43    48    83.00000  116.90000
   43    40    41    35.00000  109.50000
   43    48    49    83.00000  123.40000
   43    48    58    81.00000  111.40000
   48    58    59    35.00000  109.50000
   48    58    60    35.00000  109.50000
   48    58    61    35.00000  109.50000
   58    48    49    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   75    72    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    73    58.35000  112.70000
   79    72    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    47    55    58.35000  112.70000
   62    47    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   50    42    47    63.00000  111.10000
   52    50    51    35.00000  123.00000
   53    42    47    50.00000  109.50000
   53    42    50    90.00000  109.61100
   44    38    39    35.00000  109.50000
   44    38    42    63.00000  111.10000
   46    44    45    35.00000  123.00000
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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38    42    50  -0.95700  1.0 1.0
   33    38    42    50  -0.18200 -1.0 2.0
   33    38    42    50   0.29450  1.0 3.0
   33    38    42    53   0.86500  1.0 1.0
   33    38    42    53  -0.17500 -1.0 2.0
   33    38    42    53   0.20800  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    46   0.74550  1.0 1.0
   33    38    44    46  -0.00500 -1.0 2.0
   33    40    43    48  -0.25900  1.0 1.0
   33    40    43    48  -0.47000 -1.0 2.0
   33    40    43    48   0.11750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.62750  1.0 1.0
   38    33    40    43  -0.30950 -1.0 2.0
   38    33    40    43   0.27300  1.0 3.0
   38    42    47    55   0.56750  1.0 1.0
   38    42    47    55  -0.07550 -1.0 2.0
   38    42    47    55   0.20000  1.0 3.0
   38    42   -47    73   0.56750  1.0 1.0
   38    42   -47    73  -0.07550 -1.0 2.0
   38    42   -47    73   0.20000  1.0 3.0
   38    42    47    62   0.56750  1.0 1.0
   38    42    47    62  -0.07550 -1.0 2.0
   38    42    47    62   0.20000  1.0 3.0
   38    42    50    51   0.30150 -1.0 2.0
   38    42    50    52   0.74550  1.0 1.0
   38    42    50    52  -0.00500 -1.0 2.0
   38    42    53    54  -0.11600  1.0 1.0
   38    42    53    54  -0.09450 -1.0 2.0
   38    42    53    54   0.21250  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    42    50  -0.11250  1.0 3.0
   39    38    42    53   0.23400  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    46   0.00000  1.0 1.0
   42    38    44    45   0.30150 -1.0 2.0
   42    38    44    46   0.74550  1.0 1.0
   42    38    44    46  -0.00500 -1.0 2.0
   42    47    55    56   0.15000  1.0 3.0
   42    47    55    57   0.15000  1.0 3.0
   42    47    55    66   0.56750  1.0 1.0
   42    47    55    66  -0.07550 -1.0 2.0
   42    47    55    66   0.20000  1.0 3.0
   42    47    73    72   0.56750  1.0 1.0
   42    47    73    72  -0.07550 -1.0 2.0
   42    47    73    72   0.20000  1.0 3.0
   42    47    73    74   0.15000  1.0 3.0
   42    47    73    40   0.56750  1.0 1.0
   42    47    73    40  -0.07550 -1.0 2.0
   42    47    73    40   0.20000  1.0 3.0
   42    47    62    63   0.15000  1.0 3.0
   42    47    62    64   0.15000  1.0 3.0
   42    47    62    65   0.15000  1.0 3.0
   47    42    50    51   0.30150 -1.0 2.0
   47    42    50    52   0.74550  1.0 1.0
   47    42    50    52  -0.00500 -1.0 2.0
   47    42    53    54  -0.11600  1.0 1.0
   47    42    53    54  -0.09450 -1.0 2.0
   47    42    53    54   0.21250  1.0 3.0
   47    55    66    67   0.15000  1.0 3.0
   47    55    66    68   0.15000  1.0 3.0
   47    55    66    69   0.56750  1.0 1.0
   47    55    66    69  -0.07550 -1.0 2.0
   47    55    66    69   0.20000  1.0 3.0
   47    73   -40    33   0.56750  1.0 1.0
   47    73   -40    33  -0.07550 -1.0 2.0
   47    73   -40    33   0.20000  1.0 3.0
   47    73    40    41   0.15000  1.0 3.0
   47    73    40    43   0.62750  1.0 1.0
   47    73    40    43  -0.30950 -1.0 2.0
   47    73    40    43   0.27300  1.0 3.0
   55    47    73    72   0.56750  1.0 1.0
   55    47    73    72  -0.07550 -1.0 2.0
   55    47    73    72   0.20000  1.0 3.0
   55    47    73    74   0.15000  1.0 3.0
   55    47    73    40   0.56750  1.0 1.0
   55    47    73    40  -0.07550 -1.0 2.0
   55    47    73    40   0.20000  1.0 3.0
   55    47    62    63   0.15000  1.0 3.0
   55    47    62    64   0.15000  1.0 3.0
   55    47    62    65   0.15000  1.0 3.0
   55    66    69    70   0.15000  1.0 3.0
   55    66    69    71   0.15000  1.0 3.0
   55    66   -69    72   0.56750  1.0 1.0
   55    66   -69    72  -0.07550 -1.0 2.0
   55    66   -69    72   0.20000  1.0 3.0
   56    55    66    67   0.15000  1.0 3.0
   56    55    66    68   0.15000  1.0 3.0
   56    55    66    69   0.15000  1.0 3.0
   57    55    66    67   0.15000  1.0 3.0
   57    55    66    68   0.15000  1.0 3.0
   57    55    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   66    69    72    79   0.56750  1.0 1.0
   66    69    72    79  -0.07550 -1.0 2.0
   66    69    72    79   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -73    47   0.56750  1.0 1.0
   69    72   -73    47  -0.07550 -1.0 2.0
   69    72   -73    47   0.20000  1.0 3.0
   69    72    73    74   0.15000  1.0 3.0
   69    72    73    40   0.56750  1.0 1.0
   69    72    73    40  -0.07550 -1.0 2.0
   69    72    73    40   0.20000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.15000  1.0 3.0
   69    72    79    80   0.15000  1.0 3.0
   69    72    79    81   0.15000  1.0 3.0
   69    72    79    82   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    72    79   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   71    69    72    79   0.15000  1.0 3.0
   72    73    40    33   0.56750  1.0 1.0
   72    73    40    33  -0.07550 -1.0 2.0
   72    73    40    33   0.20000  1.0 3.0
   72    73    40    41   0.15000  1.0 3.0
   72    73    40    43   0.62750  1.0 1.0
   72    73    40    43  -0.30950 -1.0 2.0
   72    73    40    43   0.27300  1.0 3.0
   73    47    55    56   0.15000  1.0 3.0
   73    47    55    57   0.15000  1.0 3.0
   73    47   -55    66   0.56750  1.0 1.0
   73    47   -55    66  -0.07550 -1.0 2.0
   73    47   -55    66   0.20000  1.0 3.0
   73    47    62    63   0.15000  1.0 3.0
   73    47    62    64   0.15000  1.0 3.0
   73    47    62    65   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    40    43    48  -0.25900  1.0 1.0
   73    40    43    48  -0.47000 -1.0 2.0
   73    40    43    48   0.11750  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.15000  1.0 3.0
   74    73    40    43   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    43    48    49   3.00000 -1.0 2.0
   40    43    48    58   1.63150  1.0 1.0
   40    43    48    58   2.92000 -1.0 2.0
   41    40    43    48   0.08050  1.0 3.0
   43    48    58    59   0.00000  1.0 1.0
   43    48    58    60   0.00000  1.0 1.0
   43    48    58    61   0.00000  1.0 1.0
   49    48    58    59   0.00000  1.0 1.0
   49    48    58    60   0.00000  1.0 1.0
   49    48    58    61   0.00000  1.0 1.0
   75    72    73    47   0.56750  1.0 1.0
   75    72    73    47  -0.07550 -1.0 2.0
   75    72    73    47   0.20000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    40   0.56750  1.0 1.0
   75    72    73    40  -0.07550 -1.0 2.0
   75    72    73    40   0.20000  1.0 3.0
   75    72    79    80   0.15000  1.0 3.0
   75    72    79    81   0.15000  1.0 3.0
   75    72    79    82   0.15000  1.0 3.0
   79    72    73    47   0.56750  1.0 1.0
   79    72    73    47  -0.07550 -1.0 2.0
   79    72    73    47   0.20000  1.0 3.0
   79    72    73    74   0.15000  1.0 3.0
   79    72    73    40   0.56750  1.0 1.0
   79    72    73    40  -0.07550 -1.0 2.0
   79    72    73    40   0.20000  1.0 3.0
   79    72    75    76   0.15000  1.0 3.0
   79    72    75    77   0.15000  1.0 3.0
   79    72    75    78   0.15000  1.0 3.0
   62    47    55    56   0.15000  1.0 3.0
   62    47    55    57   0.15000  1.0 3.0
   62    47    55    66   0.56750  1.0 1.0
   62    47    55    66  -0.07550 -1.0 2.0
   62    47    55    66   0.20000  1.0 3.0
   62    47    73    72   0.56750  1.0 1.0
   62    47    73    72  -0.07550 -1.0 2.0
   62    47    73    72   0.20000  1.0 3.0
   62    47    73    74   0.15000  1.0 3.0
   62    47    73    40   0.56750  1.0 1.0
   62    47    73    40  -0.07550 -1.0 2.0
   62    47    73    40   0.20000  1.0 3.0
   50    42    47    55  -0.95700  1.0 1.0
   50    42    47    55  -0.18200 -1.0 2.0
   50    42    47    55   0.29450  1.0 3.0
   50    42    47    73  -0.95700  1.0 1.0
   50    42    47    73  -0.18200 -1.0 2.0
   50    42    47    73   0.29450  1.0 3.0
   50    42    47    62  -0.95700  1.0 1.0
   50    42    47    62  -0.18200 -1.0 2.0
   50    42    47    62   0.29450  1.0 3.0
   50    42    53    54   0.91850  1.0 1.0
   50    42    53    54   0.57950  1.0 3.0
   53    42    47    55   0.86500  1.0 1.0
   53    42    47    55  -0.17500 -1.0 2.0
   53    42    47    55   0.20800  1.0 3.0
   53    42    47    73   0.86500  1.0 1.0
   53    42    47    73  -0.17500 -1.0 2.0
   53    42    47    73   0.20800  1.0 3.0
   53    42    47    62   0.86500  1.0 1.0
   53    42    47    62  -0.17500 -1.0 2.0
   53    42    47    62   0.20800  1.0 3.0
   53    42    50    51   0.30150 -1.0 2.0
   53    42    50    52   0.00000  1.0 1.0
   44    38    42    47  -0.95700  1.0 1.0
   44    38    42    47  -0.18200 -1.0 2.0
   44    38    42    47   0.29450  1.0 3.0
   44    38    42    50   0.11950  1.0 1.0
   44    38    42    50   0.20300 -1.0 2.0
   44    38    42    50  -0.70800  1.0 3.0
   44    38    42    53  -0.09450  1.0 1.0
   44    38    42    53  -1.12950 -1.0 2.0
   44    38    42    53   0.54000  1.0 3.0
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
   43    58    48    49  10.50000 -1.0 2.0
   42    52    50    51  10.50000 -1.0 2.0
   38    46    44    45  10.50000 -1.0 2.0
END
