* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    143    205     416
    1     0 S   NP   _N1_     1    29.23859    97.92187   -20.45814
    2     1 S   H    _HN1     2     1.02943    69.25116    10.67096
    3     1 S   H    _H1_     3     1.02827    50.33615   147.09459
    4     1 S   H    _H2_     4     1.02777    89.69205   -99.12601
    5     1 S   CT   _CA1     5     1.50152   156.06939   104.46672
    6     5 S   HC   _HA1     6     1.09565   105.23178    93.42761
    7     5 S   CO3  _C1_     7     1.53889   112.01941   -26.89177
    8     7 S   O2Z  _O11     8     1.26402   114.99622   -48.46536
    9     7 S   O2Z  _O12     9     1.26198   115.01849   130.22052
   10     5 S   CT   _CB1    10     1.53081   107.36730  -148.52092
   11    10 S   HC   HB11    11     1.09827   109.72241   -47.12223
   12    10 S   HC   HB12    12     1.09806   110.41151    69.62364
   13    10 S   CT   _CG1    13     1.52947   112.38561  -167.92628
   14    13 S   HC   HG11    14     1.09399   110.55745   -58.89999
   15    13 S   HC   HG12    15     1.09602   109.72183    60.00300
   16    13 S   C    _CD1    16     1.51826   112.22336  -179.74131
   17    16 S   O    _OE1    17     1.22771   123.13846    -1.07956
   18    16 S   N    _N2_    18     1.38557   111.85850   179.32478
   19    18 S   H    _HN2    19     1.01940   118.90652     1.11943
   20    18 S   CT1  _CA2    20     1.46069   123.39783   177.05018
   21    20 S   HC   _HA2    21     1.09701   109.34042     1.56072
   22    20 S   C    _C2_    22     1.53738   109.73996  -114.47704
   23    22 S   O    _O2_    23     1.23156   121.70659  -155.53583
   24    20 S   CT   _CB2    32     1.53218   111.44411   123.61684
   25    24 S   HC   HB21    33     1.09324   109.38265    57.45067
   26    24 S   HC   HB22    34     1.09519   110.60574   175.27660
   27    22 S   N    _N3_    24     1.38260   114.36518    31.54971
   28    27 S   H    _HN3    25     1.01481   119.17766    -3.05902
   29    24 S   S    _SG2    35     1.82958   112.77392   -65.34079
   30    27 S   CT   _CA3    26     1.45399   123.16866   176.22680
   31    30 S   HC   HA31    27     1.09557   108.75977    32.86119
   32    30 S   HC   HA32    28     1.09485   107.26008   149.66632
   33    29 S   CT   _C8_    36     1.85524   100.03307   128.45375
   34    33 S   HC   _H3_    37     1.09318   105.18980   -47.78379
   35    30 S   CO3  _C3_    29     1.52929   113.45946   -90.42172
   36    35 S   O2Z  _O31    30     1.26400   115.59419   -43.63188
   37    35 S   O2Z  _O32    31     1.26412   114.93856   137.34637
   38    33 S   CT   _C9_    38     1.55328   108.99543    67.56185
   39    38 S   HC   _H12    39     1.09538   110.47125    79.76023
   40    38 S   HC   _H13    40     1.09711   110.41127   -35.47363
   41    33 S   CT   _C6_    67     1.56898   111.57561  -164.23278
   42    38 S   CT   _C10    41     1.54081   115.96406  -156.43531
   43    42 S   HC   _H14    42     1.09460   110.50020   -68.16351
   44    42 S   HC   _H15    43     1.09900   107.98199   178.22194
   45    41 S   CT   _C7_    68     1.53978   113.22200   -65.04662
   46    45 S   HC   _H9_    69     1.09424   111.69320   -62.23323
   47    45 S   HC   _H10    70     1.09353   112.54244    60.64255
   48    45 S   HC   _H11    71     1.09704   110.52674  -179.03714
   49    41 S   CT   _C5_    72     1.55418   113.58057    59.21699
   50    49 S   HC   _H7_    73     1.09558   111.00981   -64.79677
   51    49 S   HC   _H8_    74     1.09848   108.83341   178.75762
   52    41 S   OH   _O35    79     1.43523   107.99040   177.42846
   53    52 S   HO   _H28    80     0.97249   108.24595  -178.71382
   54    42 S   CM   _C11    44     1.51884   114.59195    57.46037
   55    49 S   CT   _C4_    75     1.52467   114.63522    59.56239
   56    55 S   HC   _H4_    76     1.09412   111.43714    57.86737
   57    55 S   HC   _H5_    77     1.09485   109.85669   177.14213
   58    55 S   HC   _H6_    78     1.09214   111.71793   -63.58937
   59    54 S   CM   _C12    45     1.34848   120.02312    71.45643
   60    59 S   HC   _H16    46     1.08977   117.69416     1.42903
   61    54 S   CT   _C19    63     1.50446   115.22322  -109.43007
   62    61 S   HC   _H25    64     1.09550   110.09560   -49.00914
   63    61 S   HC   _H26    65     1.09337   110.59144    70.65853
   64    61 S   HC   _H27    66     1.09183   113.51186  -168.02981
   65    59 S   CT   _C13    47     1.50523   127.91548  -176.96888
   66    65 S   HC   _H17    48     1.09656   108.21348  -111.67157
   67    65 S   HC   _H18    49     1.09337   111.76668     5.75384
   68    65 S   CT   _C14    50     1.53531   111.10053   127.84780
   69    68 S   HC   _H19    51     1.09844   109.70065    67.33903
   70    68 S   HC   _H20    52     1.09366   110.34551   -47.34689
   71    68 S   CM   _C15    53     1.51293   112.30566  -171.25291
   72    71 S   CM   _C16    54     1.34596   125.23174   101.94897
   73    72 S   HC   _H21    55     1.09221   117.91836   177.02165
   74    71 S   CT   _C18    59     1.50760   114.80004   -79.93254
   75    74 S   HC   _H22    60     1.09498   110.28344   -58.10923
   76    74 S   HC   _H23    61     1.09450   110.49578    61.92965
   77    74 S   HC   _H24    62     1.09522   112.40477  -178.03178
   78    72 S   CO3  _C17    56     1.53575   127.45926    -2.07632
   79    78 S   O2Z  _O34    57     1.26617   113.97030   150.52854
   80    78 S   O2Z  _O33    58     1.26208   117.15907   -30.88382
  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
  19   8   2   1   1  12   6   5  14  10   4   3   9   4   3   2
   8   6   5   2   1  10   3   2   1   1  12   5   4   2   1   1
   8   5   4  10   4   3   9   8   4   4   2   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    54    41    45    46    47    48    49    50    51    55    52    53  
   38    39    40    42    41    45    49    52  
   36    37  
   37  
    0  
   39    40    42    43    44    54    59    61    41    45    49    52  
   40    42    43    44    54    41  
   42    43    44    54    41  
   45    46    47    48    49    50    51    55    56    57    58    52    53    42  
   43    44    54    59    60    65    61    62    63    64  
   44    54    59    61  
   54    59    61  
   46    47    48    49    50    51    55    52    53  
   47    48    49    52  
   48    49    52  
   49    52  
   50    51    55    56    57    58    52    53  
   51    55    56    57    58    52  
   55    56    57    58    52  
   53    55  
    0  
   59    60    65    66    67    68    61    62    63    64  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    69    70    71    61    62    63    64  
   65    66    67    68    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    78    74    75    76    77  
   70    71    72    74  
   71    72    74  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80  
   80  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   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   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    54   317.000  1.510
   54    59   549.000  1.340
   54    61   317.000  1.510
   59    60   340.000  1.080
   59    65   317.000  1.510
   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   317.000  1.510
   71    72   549.000  1.340
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   230.000  1.545
   78    79   656.000  1.250
   78    80   656.000  1.250
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    52   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   553.000  0.945
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    52    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    54    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    54    59    70.00000  124.00000
   42    54    61    65.00000  117.92700
   44    42    43    33.00000  107.80000
   54    42    43    35.00000  109.50000
   54    42    44    35.00000  109.50000
   54    59    60    35.00000  120.00000
   54    59    65    70.00000  124.00000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    70.00000  112.02700
   65    59    60    35.00000  117.00000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    70.00000  124.00000
   68    71    74    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    78    55.00000  124.75400
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    85.00000  113.83300
   72    78    80    85.00000  113.83300
   78    72    73    40.00000  118.53000
   80    78    79    80.00000  126.00000
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    54    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    55    58.35000  112.70000
   41    52    53    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    41    45    50.00000  109.50000
   52    41    49    50.00000  109.50000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   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    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   29    33    41    52   0.56750  1.0 1.0
   29    33    41    52  -0.07550 -1.0 2.0
   29    33    41    52   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    54   0.34400  1.0 1.0
   33    38    42    54   0.09450 -1.0 2.0
   33    38    42    54   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    55   0.56750  1.0 1.0
   33    41    49    55  -0.07550 -1.0 2.0
   33    41    49    55   0.20000  1.0 3.0
   33    41    52    53  -0.11600  1.0 1.0
   33    41    52    53  -0.09450 -1.0 2.0
   33    41    52    53   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.15000  1.0 3.0
   34    33    41    52   0.23400  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   38    33    41    52   0.86500  1.0 1.0
   38    33    41    52  -0.17500 -1.0 2.0
   38    33    41    52   0.20800  1.0 3.0
   38    42    54    59   0.09850  1.0 1.0
   38    42    54    59   0.15250 -1.0 2.0
   38    42    54    59  -0.50650  1.0 3.0
   38    42    54    61   0.46850  1.0 1.0
   38    42    54    61   0.08550 -1.0 2.0
   38    42    54    61   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    54   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    54   0.15000  1.0 3.0
   42    54    59    60   7.00000 -1.0 2.0
   42    54    59    65   7.00000 -1.0 2.0
   42    54    61    62   0.34800  1.0 3.0
   42    54    61    63   0.34800  1.0 3.0
   42    54    61    64   0.34800  1.0 3.0
   43    42    54    59   0.00000  1.0 1.0
   43    42    54    61   0.34800  1.0 3.0
   44    42    54    59   0.00000  1.0 1.0
   44    42    54    61   0.34800  1.0 3.0
   54    59    65    66   0.00000  1.0 1.0
   54    59    65    67   0.00000  1.0 1.0
   54    59    65    68   0.09850  1.0 1.0
   54    59    65    68   0.15250 -1.0 2.0
   54    59    65    68  -0.50650  1.0 3.0
   59    54    61    62   0.00000  1.0 1.0
   59    54    61    63   0.00000  1.0 1.0
   59    54    61    64   0.00000  1.0 1.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    71   0.31000  1.0 1.0
   59    65    68    71   0.14700 -1.0 2.0
   59    65    68    71   0.07550  1.0 3.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    67   0.33100  1.0 3.0
   60    59    65    68   0.00000  1.0 1.0
   65    68    71    72   0.09850  1.0 1.0
   65    68    71    72   0.15250 -1.0 2.0
   65    68    71    72  -0.50650  1.0 3.0
   65    68    71    74   0.46850  1.0 1.0
   65    68    71    74   0.08550 -1.0 2.0
   65    68    71    74   0.09800  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    73   7.00000 -1.0 2.0
   68    71    72    78   7.00000 -1.0 2.0
   68    71    74    75   0.34800  1.0 3.0
   68    71    74    76   0.34800  1.0 3.0
   68    71    74    77   0.34800  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    74   0.34800  1.0 3.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    74   0.34800  1.0 3.0
   71    72    78    79  -0.04000 -1.0 2.0
   71    72    78    79  -0.29050  1.0 3.0
   71    72    78    80  -0.04000 -1.0 2.0
   71    72    78    80  -0.29050  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   74    71    72    73   7.00000 -1.0 2.0
   74    71    72    78   7.00000 -1.0 2.0
   61    54    59    60   7.00000 -1.0 2.0
   61    54    59    65   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   41    49    55    56   0.15000  1.0 3.0
   41    49    55    57   0.15000  1.0 3.0
   41    49    55    58   0.15000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    55   0.56750  1.0 1.0
   45    41    49    55  -0.07550 -1.0 2.0
   45    41    49    55   0.20000  1.0 3.0
   45    41    52    53  -0.11600  1.0 1.0
   45    41    52    53  -0.09450 -1.0 2.0
   45    41    52    53   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    52    53  -0.11600  1.0 1.0
   49    41    52    53  -0.09450 -1.0 2.0
   49    41    52    53   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    58   0.15000  1.0 3.0
   52    41    45    46   0.23400  1.0 3.0
   52    41    45    47   0.23400  1.0 3.0
   52    41    45    48   0.23400  1.0 3.0
   52    41    49    50   0.23400  1.0 3.0
   52    41    49    51   0.23400  1.0 3.0
   52    41    49    55   0.86500  1.0 1.0
   52    41    49    55  -0.17500 -1.0 2.0
   52    41    49    55   0.20800  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
   42    61    54    59  15.00000 -1.0 2.0
   65    60    59    54  15.00000 -1.0 2.0
   68    74    71    72  15.00000 -1.0 2.0
   78    73    72    71  15.00000 -1.0 2.0
   79    72    78    80  10.50000 -1.0 2.0
END
