* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    153    240     459
    1     0 S   NP   _N1_     1    29.05558    95.75691   -19.03109
    2     1 S   H    _HN1     2     1.02961    94.25141    37.40473
    3     1 S   H    _H1_     3     1.02837    41.21241   148.55869
    4     1 S   H    _H2_     4     1.02778    75.49226   -70.44505
    5     1 S   CT   _CA1     5     1.50134   148.84391  -179.59458
    6     5 S   HC   _HA1     6     1.09568   105.24688    37.36870
    7     5 S   CO3  _C1_     7     1.53836   112.31918   -82.89325
    8     7 S   O2Z  _O11     8     1.26369   115.01221   -43.33546
    9     7 S   O2Z  _O12     9     1.26235   114.94378   135.86600
   10     5 S   CT   _CB1    10     1.53105   107.41884   155.35629
   11    10 S   HC   HB11    11     1.09817   109.44626   -49.32641
   12    10 S   HC   HB12    12     1.09829   110.36227    67.25704
   13    10 S   CT   _CG1    13     1.53011   112.68581  -170.44782
   14    13 S   HC   HG11    14     1.09500   110.38142   -59.91769
   15    13 S   HC   HG12    15     1.09628   110.16340    59.12689
   16    13 S   C    _CD1    16     1.51826   112.10334   179.13974
   17    16 S   O    _OE1    17     1.22735   123.09052   -15.50339
   18    16 S   N    _N2_    18     1.38565   111.77228   165.57607
   19    18 S   H    _HN2    19     1.01587   119.04563     0.69210
   20    18 S   CT1  _CA2    20     1.46297   123.51307  -178.81634
   21    20 S   HC   _HA2    21     1.09732   109.38866   -14.05263
   22    20 S   C    _C2_    22     1.53451   108.27097  -129.67990
   23    22 S   O    _O2_    23     1.23007   122.30997  -146.34629
   24    20 S   CT   _CB2    32     1.53418   111.16556   108.14114
   25    24 S   HC   HB21    33     1.09418   109.49174    53.19900
   26    24 S   HC   HB22    34     1.09498   110.79719   171.91760
   27    22 S   N    _N3_    24     1.38537   113.33251    41.12392
   28    27 S   H    _HN3    25     1.01530   118.87258    -0.69267
   29    24 S   S    _SG2    35     1.82777   111.58604   -68.75139
   30    27 S   CT   _CA3    26     1.45459   123.52138   175.09627
   31    30 S   HC   HA31    27     1.09518   109.29805    22.87211
   32    30 S   HC   HA32    28     1.09497   107.09274   139.89027
   33    29 S   CT   _C7_    36     1.84402    99.94505   160.49372
   34    33 S   HC   _H4_    37     1.09663   105.17993    37.04873
   35    30 S   CO3  _C3_    29     1.52932   113.13048  -100.65239
   36    35 S   O2Z  _O31    30     1.26404   115.42637   -43.55517
   37    35 S   O2Z  _O32    31     1.26359   114.97383   137.39418
   38    33 S   CM   _C8_    38     1.53721   109.75565   153.33028
   39    33 S   CT   _C6_    53     1.54920   111.82263   -79.62180
   40    39 S   HC   _H3_    54     1.09435   109.35724    41.51703
   41    38 S   CT   _C10    39     1.53914   115.84159    81.53774
   42    39 S   OS   _O34    55     1.44783   108.49913   158.41973
   43    38 S   CMA  _C9_    79     1.35995   117.75962  -100.61523
   44    43 S   OM   _O35    80     1.25878   134.58117  -178.80876
   45    43 S   HC   _H9_    81     1.09245   112.26531     1.70858
   46    41 S   CT   _C11    40     1.58942   111.76537    50.83020
   47    42 S   CO4  _C5_    56     1.36222   118.22989   -81.99654
   48    47 S   O    _O33    57     1.22281   126.50045    -0.89635
   49    41 S   CO4  _C20    74     1.53858   113.86604   177.04561
   50    49 S   O    _O36    75     1.22976   124.06795   118.78499
   51    49 S   HC   _H25    76     1.10298   116.24243   -63.61451
   52    41 S   OH   _O37    77     1.43721   106.38205   -68.93055
   53    52 S   HO   _H26    78     0.97228   108.60900  -158.70369
   54    46 S   CT   _C16    41     1.55737   110.32885  -174.23932
   55    54 S   HC   _H14    42     1.09654   110.39364    49.78587
   56    54 S   HC   _H15    43     1.09687   110.51993   -67.26762
   57    47 S   CT   _C4_    58     1.49818   109.36320   179.14774
   58    57 S   HC   _H6_    59     1.09294   109.79680   -60.80959
   59    57 S   HC   _H7_    60     1.09372   109.37421  -179.86152
   60    57 S   HC   _H8_    61     1.09292   109.82106    61.05232
   61    46 S   CT   _C19    70     1.55237   108.70384    67.90457
   62    61 S   HC   _H22    71     1.09302   112.96960   -47.48089
   63    61 S   HC   _H23    72     1.08663   113.20881  -169.84408
   64    61 S   HC   _H24    73     1.09617   111.05335    71.75140
   65    54 S   CT   _C15    44     1.52373   113.41471   170.54984
   66    65 S   HC   _H12    45     1.09448   111.15410    62.75303
   67    65 S   HC   _H13    46     1.09665   108.92608   179.56344
   68    65 S   CT   _C14    47     1.52056   110.46931   -60.83489
   69    68 S   HC   _H10    48     1.09757   109.07647  -177.32709
   70    68 S   HC   _H11    49     1.09888   108.11141   -62.69332
   71    68 S   CT   _C13    50     1.54943   113.64880    58.98529
   72    46 S   CT   _C12    51     1.58605   107.66955   -56.17849
   73    72 S   HC   _H5_    52     1.10134   103.99547   -53.65842
   74    71 S   CT   _C17    62     1.55419   106.28785  -167.98632
   75    74 S   HC   _H16    63     1.09445   112.10020  -172.34268
   76    74 S   HC   _H17    64     1.09500   111.18623    66.75189
   77    74 S   HC   _H18    65     1.09663   111.08346   -52.72103
   78    71 S   CT   _C18    66     1.54007   109.19108    78.47602
   79    78 S   HC   _H19    67     1.09290   112.06860   174.16041
   80    78 S   HC   _H20    68     1.09771   110.37791    56.34528
   81    78 S   HC   _H21    69     1.08804   113.58184   -62.36950
  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   9   5   4   3
  16   7   2   1   1  16  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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    72    39    40    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    46    71    72    73    39    40    42    47    49    52    43    44    45  
   38    41    72    39    40    42    43  
   36    37  
   37  
    0  
   41    46    54    72    39    40    42    61    49    50    51    52    53    43    44    45  
   40    42    47    48    57    74    78    61    43    41    46    54    68    71    72    73  
   42    47    46    71    72    73  
   46    54    55    56    65    71    72    73    61    62    63    64    49    50    51    52    53    43    44    45  
   47    48    57    58    59    60    46    71    72    73  
   44    45    46    49    52  
   45  
    0  
   54    55    56    65    66    67    68    71    72    73    74    78    61    62    63    64    49    50    51    52    53  
   48    57    58    59    60    72  
   57    58    59    60  
   50    51    52    53    54    61    72  
   51    52  
   52  
   53    54    61    72  
    0  
   55    56    65    66    67    68    69    70    71    72    73    61    62    63    64  
   56    65    66    67    68    72    61  
   65    66    67    68    72    61  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    71    72    73  
   63    64    72  
   64    72  
   72  
   66    67    68    69    70    71    72    74    78  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75    76    77    78    79    80    81  
   70    71    72    74    78  
   71    72    74    78  
   72    73    74    75    76    77    78    79    80    81  
   73    74    75    76    77    78    79    80    81  
   74    78  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    43   465.000  1.376
   41    46   268.000  1.529
   41    49   317.000  1.522
   41    52   320.000  1.410
   46    54   268.000  1.529
   46    72   268.000  1.529
   46    61   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   268.000  1.529
   71    74   268.000  1.529
   71    78   268.000  1.529
   72    73   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    47   214.000  1.327
   47    48   570.000  1.229
   47    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   49    50   570.000  1.229
   49    51   340.000  1.090
   52    53   553.000  0.945
   43    44   745.000  1.250
   43    45   335.000  1.111
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    43    70.00000  124.00000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    46    70.00000  112.02700
   38    41    49    70.00000  109.06800
   38    41    52    90.00000  110.39200
   38    43    44    65.00000  137.10300
   38    43    45    45.00000  105.30000
   41    46    54    58.35000  112.70000
   41    46    72    58.35000  112.70000
   41    46    61    58.35000  112.70000
   41    49    50    80.00000  120.40000
   41    49    51    35.00000  115.00000
   41    52    53    55.00000  108.50000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    65    58.35000  112.70000
   46    72    71    58.35000  112.70000
   46    72    73    37.50000  110.70000
   46    72    39    58.35000  112.70000
   46    61    62    37.50000  110.70000
   46    61    63    37.50000  110.70000
   46    61    64    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    56    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    58.35000  112.70000
   68    71    74    58.35000  112.70000
   68    71    78    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    72    73    37.50000  110.70000
   71    72    39    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   72    46    54    58.35000  112.70000
   72    39    40    37.50000  110.70000
   72    39    42    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    72    73    37.50000  110.70000
   39    42    47    83.00000  116.90000
   42    39    40    35.00000  109.50000
   42    47    48    83.00000  123.40000
   42    47    57    81.00000  111.40000
   47    57    58    35.00000  109.50000
   47    57    59    35.00000  109.50000
   47    57    60    35.00000  109.50000
   57    47    48    80.00000  120.40000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   74    71    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    72    58.35000  112.70000
   78    71    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    46    54    58.35000  112.70000
   61    46    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   49    41    46    63.00000  111.10000
   51    49    50    35.00000  123.00000
   52    41    46    50.00000  109.50000
   52    41    49    90.00000  109.61100
   43    38    41    70.00000  124.00000
   45    43    44    50.00000  124.16400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    39    72   0.44750  1.0 1.0
   29    33    39    72  -0.17800 -1.0 2.0
   29    33    39    72   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    38    41    46   0.46850  1.0 1.0
   33    38    41    46   0.08550 -1.0 2.0
   33    38    41    46   0.09800  1.0 3.0
   33    38    41    49   0.17250  1.0 1.0
   33    38    41    49  -0.04100 -1.0 2.0
   33    38    41    49  -0.33850  1.0 3.0
   33    38    41    52   0.18000  1.0 1.0
   33    38    41    52   0.16450 -1.0 2.0
   33    38    41    52   0.04450  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   33    39    42    47  -0.25900  1.0 1.0
   33    39    42    47  -0.47000 -1.0 2.0
   33    39    42    47   0.11750  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    72   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   38    33    39    72   0.34400  1.0 1.0
   38    33    39    72   0.09450 -1.0 2.0
   38    33    39    72   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    42   0.61850  1.0 1.0
   38    33    39    42  -0.22750 -1.0 2.0
   38    33    39    42   0.15300  1.0 3.0
   38    41    46    54   0.34400  1.0 1.0
   38    41    46    54   0.09450 -1.0 2.0
   38    41    46    54   0.11100  1.0 3.0
   38    41   -46    72   0.34400  1.0 1.0
   38    41   -46    72   0.09450 -1.0 2.0
   38    41   -46    72   0.11100  1.0 3.0
   38    41    46    61   0.34400  1.0 1.0
   38    41    46    61   0.09450 -1.0 2.0
   38    41    46    61   0.11100  1.0 3.0
   38    41    49    50   0.30150 -1.0 2.0
   38    41    49    51   0.81450  1.0 1.0
   38    41    49    51  -0.29600 -1.0 2.0
   38    41    49    51   0.60450  1.0 3.0
   38    41    52    53  -0.07800  1.0 1.0
   38    41    52    53  -0.21500 -1.0 2.0
   38    41    52    53  -0.03150  1.0 3.0
   41    38    43    44   7.00000 -1.0 2.0
   41    38    43    45   7.00000 -1.0 2.0
   41    46    54    55   0.15000  1.0 3.0
   41    46    54    56   0.15000  1.0 3.0
   41    46    54    65   0.56750  1.0 1.0
   41    46    54    65  -0.07550 -1.0 2.0
   41    46    54    65   0.20000  1.0 3.0
   41    46    72    71   0.56750  1.0 1.0
   41    46    72    71  -0.07550 -1.0 2.0
   41    46    72    71   0.20000  1.0 3.0
   41    46    72    73   0.15000  1.0 3.0
   41    46    72    39   0.56750  1.0 1.0
   41    46    72    39  -0.07550 -1.0 2.0
   41    46    72    39   0.20000  1.0 3.0
   41    46    61    62   0.15000  1.0 3.0
   41    46    61    63   0.15000  1.0 3.0
   41    46    61    64   0.15000  1.0 3.0
   46    41    49    50   0.30150 -1.0 2.0
   46    41    49    51   0.74550  1.0 1.0
   46    41    49    51  -0.00500 -1.0 2.0
   46    41    52    53  -0.11600  1.0 1.0
   46    41    52    53  -0.09450 -1.0 2.0
   46    41    52    53   0.21250  1.0 3.0
   46    54    65    66   0.15000  1.0 3.0
   46    54    65    67   0.15000  1.0 3.0
   46    54    65    68   0.56750  1.0 1.0
   46    54    65    68  -0.07550 -1.0 2.0
   46    54    65    68   0.20000  1.0 3.0
   46    72   -39    33   0.56750  1.0 1.0
   46    72   -39    33  -0.07550 -1.0 2.0
   46    72   -39    33   0.20000  1.0 3.0
   46    72    39    40   0.15000  1.0 3.0
   46    72    39    42   0.62750  1.0 1.0
   46    72    39    42  -0.30950 -1.0 2.0
   46    72    39    42   0.27300  1.0 3.0
   54    46    72    71   0.56750  1.0 1.0
   54    46    72    71  -0.07550 -1.0 2.0
   54    46    72    71   0.20000  1.0 3.0
   54    46    72    73   0.15000  1.0 3.0
   54    46    72    39   0.56750  1.0 1.0
   54    46    72    39  -0.07550 -1.0 2.0
   54    46    72    39   0.20000  1.0 3.0
   54    46    61    62   0.15000  1.0 3.0
   54    46    61    63   0.15000  1.0 3.0
   54    46    61    64   0.15000  1.0 3.0
   54    65    68    69   0.15000  1.0 3.0
   54    65    68    70   0.15000  1.0 3.0
   54    65   -68    71   0.56750  1.0 1.0
   54    65   -68    71  -0.07550 -1.0 2.0
   54    65   -68    71   0.20000  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   56    54    65    66   0.15000  1.0 3.0
   56    54    65    67   0.15000  1.0 3.0
   56    54    65    68   0.15000  1.0 3.0
   65    68    71    72   0.56750  1.0 1.0
   65    68    71    72  -0.07550 -1.0 2.0
   65    68    71    72   0.20000  1.0 3.0
   65    68    71    74   0.56750  1.0 1.0
   65    68    71    74  -0.07550 -1.0 2.0
   65    68    71    74   0.20000  1.0 3.0
   65    68    71    78   0.56750  1.0 1.0
   65    68    71    78  -0.07550 -1.0 2.0
   65    68    71    78   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71   -72    46   0.56750  1.0 1.0
   68    71   -72    46  -0.07550 -1.0 2.0
   68    71   -72    46   0.20000  1.0 3.0
   68    71    72    73   0.15000  1.0 3.0
   68    71    72    39   0.56750  1.0 1.0
   68    71    72    39  -0.07550 -1.0 2.0
   68    71    72    39   0.20000  1.0 3.0
   68    71    74    75   0.15000  1.0 3.0
   68    71    74    76   0.15000  1.0 3.0
   68    71    74    77   0.15000  1.0 3.0
   68    71    78    79   0.15000  1.0 3.0
   68    71    78    80   0.15000  1.0 3.0
   68    71    78    81   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   69    68    71    78   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   70    68    71    78   0.15000  1.0 3.0
   71    72    39    33   0.56750  1.0 1.0
   71    72    39    33  -0.07550 -1.0 2.0
   71    72    39    33   0.20000  1.0 3.0
   71    72    39    40   0.15000  1.0 3.0
   71    72    39    42   0.62750  1.0 1.0
   71    72    39    42  -0.30950 -1.0 2.0
   71    72    39    42   0.27300  1.0 3.0
   72    46    54    55   0.15000  1.0 3.0
   72    46    54    56   0.15000  1.0 3.0
   72    46   -54    65   0.56750  1.0 1.0
   72    46   -54    65  -0.07550 -1.0 2.0
   72    46   -54    65   0.20000  1.0 3.0
   72    46    61    62   0.15000  1.0 3.0
   72    46    61    63   0.15000  1.0 3.0
   72    46    61    64   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   72    39    42    47  -0.25900  1.0 1.0
   72    39    42    47  -0.47000 -1.0 2.0
   72    39    42    47   0.11750  1.0 3.0
   73    72    39    33   0.15000  1.0 3.0
   73    72    39    40   0.15000  1.0 3.0
   73    72    39    42   0.23400  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    42    47    48   3.00000 -1.0 2.0
   39    42    47    57   1.63150  1.0 1.0
   39    42    47    57   2.92000 -1.0 2.0
   40    39    42    47   0.08050  1.0 3.0
   42    47    57    58   0.00000  1.0 1.0
   42    47    57    59   0.00000  1.0 1.0
   42    47    57    60   0.00000  1.0 1.0
   48    47    57    58   0.00000  1.0 1.0
   48    47    57    59   0.00000  1.0 1.0
   48    47    57    60   0.00000  1.0 1.0
   74    71    72    46   0.56750  1.0 1.0
   74    71    72    46  -0.07550 -1.0 2.0
   74    71    72    46   0.20000  1.0 3.0
   74    71    72    73   0.15000  1.0 3.0
   74    71    72    39   0.56750  1.0 1.0
   74    71    72    39  -0.07550 -1.0 2.0
   74    71    72    39   0.20000  1.0 3.0
   74    71    78    79   0.15000  1.0 3.0
   74    71    78    80   0.15000  1.0 3.0
   74    71    78    81   0.15000  1.0 3.0
   78    71    72    46   0.56750  1.0 1.0
   78    71    72    46  -0.07550 -1.0 2.0
   78    71    72    46   0.20000  1.0 3.0
   78    71    72    73   0.15000  1.0 3.0
   78    71    72    39   0.56750  1.0 1.0
   78    71    72    39  -0.07550 -1.0 2.0
   78    71    72    39   0.20000  1.0 3.0
   78    71    74    75   0.15000  1.0 3.0
   78    71    74    76   0.15000  1.0 3.0
   78    71    74    77   0.15000  1.0 3.0
   61    46    54    55   0.15000  1.0 3.0
   61    46    54    56   0.15000  1.0 3.0
   61    46    54    65   0.56750  1.0 1.0
   61    46    54    65  -0.07550 -1.0 2.0
   61    46    54    65   0.20000  1.0 3.0
   61    46    72    71   0.56750  1.0 1.0
   61    46    72    71  -0.07550 -1.0 2.0
   61    46    72    71   0.20000  1.0 3.0
   61    46    72    73   0.15000  1.0 3.0
   61    46    72    39   0.56750  1.0 1.0
   61    46    72    39  -0.07550 -1.0 2.0
   61    46    72    39   0.20000  1.0 3.0
   49    41    46    54  -0.95700  1.0 1.0
   49    41    46    54  -0.18200 -1.0 2.0
   49    41    46    54   0.29450  1.0 3.0
   49    41    46    72  -0.95700  1.0 1.0
   49    41    46    72  -0.18200 -1.0 2.0
   49    41    46    72   0.29450  1.0 3.0
   49    41    46    61  -0.95700  1.0 1.0
   49    41    46    61  -0.18200 -1.0 2.0
   49    41    46    61   0.29450  1.0 3.0
   49    41    52    53   0.91850  1.0 1.0
   49    41    52    53   0.57950  1.0 3.0
   52    41    46    54   0.86500  1.0 1.0
   52    41    46    54  -0.17500 -1.0 2.0
   52    41    46    54   0.20800  1.0 3.0
   52    41    46    72   0.86500  1.0 1.0
   52    41    46    72  -0.17500 -1.0 2.0
   52    41    46    72   0.20800  1.0 3.0
   52    41    46    61   0.86500  1.0 1.0
   52    41    46    61  -0.17500 -1.0 2.0
   52    41    46    61   0.20800  1.0 3.0
   52    41    49    50   0.30150 -1.0 2.0
   52    41    49    51   0.00000  1.0 1.0
   43    38    41    46   0.09850  1.0 1.0
   43    38    41    46   0.15250 -1.0 2.0
   43    38    41    46  -0.50650  1.0 3.0
   43    38    41    49  -0.51250  1.0 1.0
   43    38    41    49  -0.88800 -1.0 2.0
   43    38    41    49   0.08850  1.0 3.0
   43    38    41    52   0.67800  1.0 1.0
   43    38    41    52   0.47050 -1.0 2.0
   43    38    41    52  -0.62500  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
   33    41    38    43   1.10000 -1.0 2.0
   42    57    47    48  10.50000 -1.0 2.0
   41    51    49    50  10.50000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
END
