* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    143    228     432
    1     0 S   NP   _N1_     1    28.95300    95.69236   -25.89749
    2     1 S   H    _HN1     2     1.02945    75.20658     2.24768
    3     1 S   H    _H1_     3     1.02824    32.28897  -168.42430
    4     1 S   H    _H2_     4     1.02797   123.93673  -100.21282
    5     1 S   CT   _CA1     5     1.50147   118.56071   107.70025
    6     5 S   HC   _HA1     6     1.09576   105.11788    93.86847
    7     5 S   CO3  _C1_     7     1.53756   112.52417   -26.24918
    8     7 S   O2Z  _O11     8     1.26378   114.99442   -40.77096
    9     7 S   O2Z  _O12     9     1.26241   114.94258   138.14462
   10     5 S   CT   _CB1    10     1.53048   107.38108  -148.19732
   11    10 S   HC   HB11    11     1.09846   109.23959   -49.28744
   12    10 S   HC   HB12    12     1.09809   110.50149    67.28339
   13    10 S   CT   _CG1    13     1.53035   112.69338  -170.22978
   14    13 S   HC   HG11    14     1.09562   110.76781   -69.43480
   15    13 S   HC   HG12    15     1.09670   109.65510    49.81590
   16    13 S   C    _CD1    16     1.51826   111.86049   170.27296
   17    16 S   O    _OE1    17     1.22765   123.12832    15.34002
   18    16 S   N    _N2_    18     1.38649   111.91019  -164.47105
   19    18 S   H    _HN2    19     1.01560   118.95316     0.59413
   20    18 S   CT1  _CA2    20     1.46226   123.37368   175.58252
   21    20 S   HC   _HA2    21     1.09738   109.30016     9.23748
   22    20 S   C    _C2_    22     1.53740   108.70319  -106.25290
   23    22 S   O    _O2_    23     1.23085   122.26426  -147.54302
   24    20 S   CT   _CB2    32     1.53353   111.71789   131.33777
   25    24 S   HC   HB21    33     1.09591   110.06328    56.16476
   26    24 S   HC   HB22    34     1.09404   109.89397   175.05034
   27    22 S   N    _N3_    24     1.38318   113.87910    39.86576
   28    27 S   H    _HN3    25     1.01530   119.62994    -2.80156
   29    24 S   S    _SG2    35     1.82764   111.56364   -64.61714
   30    27 S   CT   _CA3    26     1.45284   123.34386   177.41033
   31    30 S   HC   HA31    27     1.09545   107.47727   -65.89291
   32    30 S   HC   HA32    28     1.09554   108.05061    50.59043
   33    29 S   CT   _C12    36     1.83190    99.96255   178.73653
   34    33 S   HC   _H4_    37     1.09669   105.03075   -34.33754
   35    30 S   CO3  _C3_    29     1.52995   114.00135   172.61305
   36    35 S   O2Z  _O31    30     1.26392   116.07482    -0.66293
   37    35 S   O2Z  _O32    31     1.26422   114.42240   179.40160
   38    33 S   CM   _C13    38     1.54268   117.15681  -152.10718
   39    33 S   CT   _C11    53     1.54565   108.14499    81.64794
   40    39 S   HC   _H14    54     1.09384   108.99868   -54.72886
   41    39 S   HC   _H15    55     1.09626   110.17715    61.56008
   42    38 S   CT   _C15    39     1.54644   110.53427   178.87308
   43    38 S   CMA  _C14    73     1.35991   128.04247    -2.37380
   44    43 S   OM   _O33    74     1.25861   135.02591     0.52971
   45    43 S   HC   _H16    75     1.08840   113.06002  -179.02622
   46    42 S   CT   _C5_    40     1.58371   110.66558    59.98722
   47    42 S   CO4  _C16    68     1.53845   114.68103  -171.48269
   48    47 S   O    _O34    69     1.22954   124.40161    97.71650
   49    47 S   HC   _H17    70     1.10145   116.34799   -79.77395
   50    42 S   OH   _O35    71     1.44194   107.47587   -59.01128
   51    50 S   HO   _H18    72     0.97384   107.42850   -57.39134
   52    46 S   CT   _C6_    41     1.55329   110.56210  -177.79309
   53    52 S   HC   _H8_    42     1.09749   109.98830    48.89174
   54    52 S   HC   _H9_    43     1.09694   110.35354   -67.96976
   55    46 S   CT   _C4_    64     1.55323   109.09442    62.78329
   56    55 S   HC   _H5_    65     1.09306   112.89730   -62.79515
   57    55 S   HC   _H6_    66     1.08766   113.08476   175.36646
   58    55 S   HC   _H7_    67     1.09407   111.53940    57.59897
   59    52 S   CT   _C7_    44     1.52681   113.59816   170.05438
   60    59 S   HC   _H10    45     1.09437   110.93693    66.15961
   61    59 S   HC   _H11    46     1.09686   108.80936  -177.68946
   62    59 S   CT   _C8_    47     1.52304   111.61450   -57.54288
   63    62 S   HC   _H12    48     1.09759   109.03449   179.52030
   64    62 S   HC   _H13    49     1.09889   107.77834   -65.89859
   65    62 S   CT   _C9_    50     1.54934   114.24989    55.69172
   66    46 S   CT   _C10    51     1.58004   107.38234   -59.83157
   67    66 S   HC   _H3_    52     1.10177   105.21246   -54.99211
   68    65 S   CT   _C17    56     1.55373   106.51149  -167.88070
   69    68 S   HC   _H19    57     1.09458   112.01810  -171.70831
   70    68 S   HC   _H20    58     1.09575   111.43975    67.19524
   71    68 S   HC   _H21    59     1.09673   110.98914   -52.31337
   72    65 S   CT   _C18    60     1.54027   110.15631    77.65046
   73    72 S   HC   _H22    61     1.09410   111.89663  -175.22127
   74    72 S   HC   _H23    62     1.09740   110.51511    65.97415
   75    72 S   HC   _H24    63     1.08875   113.38967   -52.33668
  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
  15   7   2   1   1  16  13   5   4  20   5   1   1  21   7   2
   1   4   1  15   7   6   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    42    66    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    46    65    66    67    39    40    41    47    50    43    44    45  
   38    42    66    39    40    41    43  
   36    37  
   37  
    0  
   42    46    52    66    39    40    41    55    47    48    49    50    51    43    44    45  
   40    41    68    72    55    43    42    46    52    62    65    66    67  
   41    46    65    66    67  
   46    65    66    67  
   46    52    53    54    59    65    66    67    55    56    57    58    47    48    49    50    51    43    44    45  
   44    45    46    47    50  
   45  
    0  
   52    53    54    59    60    61    62    65    66    67    68    72    55    56    57    58    47    48    49    50    51  
   48    49    50    51    52    55    66  
   49    50  
   50  
   51    52    55    66  
    0  
   53    54    59    60    61    62    63    64    65    66    67    55    56    57    58  
   54    59    60    61    62    66    55  
   59    60    61    62    66    55  
   56    57    58    59    65    66    67  
   57    58    66  
   58    66  
   66  
   60    61    62    63    64    65    66    68    72  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    69    70    71    72    73    74    75  
   64    65    66    68    72  
   65    66    68    72  
   66    67    68    69    70    71    72    73    74    75  
   67    68    69    70    71    72    73    74    75  
   68    72  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   49   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    42   317.000  1.510
   38    43   465.000  1.376
   42    46   268.000  1.529
   42    47   317.000  1.522
   42    50   320.000  1.410
   46    52   268.000  1.529
   46    66   268.000  1.529
   46    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   268.000  1.529
   65    68   268.000  1.529
   65    72   268.000  1.529
   66    67   340.000  1.090
   66    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   47    48   570.000  1.229
   47    49   340.000  1.090
   50    51   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    42    65.00000  117.92700
   33    38    43    70.00000  124.00000
   33    39    66    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    46    70.00000  112.02700
   38    42    47    70.00000  109.06800
   38    42    50    90.00000  110.39200
   38    43    44    65.00000  137.10300
   38    43    45    45.00000  105.30000
   42    46    52    58.35000  112.70000
   42    46    66    58.35000  112.70000
   42    46    55    58.35000  112.70000
   42    47    48    80.00000  120.40000
   42    47    49    35.00000  115.00000
   42    50    51    55.00000  108.50000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    59    58.35000  112.70000
   46    66    65    58.35000  112.70000
   46    66    67    37.50000  110.70000
   46    66    39    58.35000  112.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    58    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    58.35000  112.70000
   62    65    68    58.35000  112.70000
   62    65    72    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    39    58.35000  112.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   66    46    52    58.35000  112.70000
   66    39    40    37.50000  110.70000
   66    39    41    37.50000  110.70000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    66    67    37.50000  110.70000
   41    39    40    33.00000  107.80000
   68    65    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    66    58.35000  112.70000
   72    65    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   55    46    52    58.35000  112.70000
   55    46    66    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   47    42    46    63.00000  111.10000
   49    47    48    35.00000  123.00000
   50    42    46    50.00000  109.50000
   50    42    47    90.00000  109.61100
   43    38    42    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    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   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    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    46   0.46850  1.0 1.0
   33    38    42    46   0.08550 -1.0 2.0
   33    38    42    46   0.09800  1.0 3.0
   33    38    42    47   0.17250  1.0 1.0
   33    38    42    47  -0.04100 -1.0 2.0
   33    38    42    47  -0.33850  1.0 3.0
   33    38    42    50   0.18000  1.0 1.0
   33    38    42    50   0.16450 -1.0 2.0
   33    38    42    50   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
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    66   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    66   0.34400  1.0 1.0
   38    33    39    66   0.09450 -1.0 2.0
   38    33    39    66   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    46    52   0.34400  1.0 1.0
   38    42    46    52   0.09450 -1.0 2.0
   38    42    46    52   0.11100  1.0 3.0
   38    42   -46    66   0.34400  1.0 1.0
   38    42   -46    66   0.09450 -1.0 2.0
   38    42   -46    66   0.11100  1.0 3.0
   38    42    46    55   0.34400  1.0 1.0
   38    42    46    55   0.09450 -1.0 2.0
   38    42    46    55   0.11100  1.0 3.0
   38    42    47    48   0.30150 -1.0 2.0
   38    42    47    49   0.81450  1.0 1.0
   38    42    47    49  -0.29600 -1.0 2.0
   38    42    47    49   0.60450  1.0 3.0
   38    42    50    51  -0.07800  1.0 1.0
   38    42    50    51  -0.21500 -1.0 2.0
   38    42    50    51  -0.03150  1.0 3.0
   42    38    43    44   7.00000 -1.0 2.0
   42    38    43    45   7.00000 -1.0 2.0
   42    46    52    53   0.15000  1.0 3.0
   42    46    52    54   0.15000  1.0 3.0
   42    46    52    59   0.56750  1.0 1.0
   42    46    52    59  -0.07550 -1.0 2.0
   42    46    52    59   0.20000  1.0 3.0
   42    46    66    65   0.56750  1.0 1.0
   42    46    66    65  -0.07550 -1.0 2.0
   42    46    66    65   0.20000  1.0 3.0
   42    46    66    67   0.15000  1.0 3.0
   42    46    66    39   0.56750  1.0 1.0
   42    46    66    39  -0.07550 -1.0 2.0
   42    46    66    39   0.20000  1.0 3.0
   42    46    55    56   0.15000  1.0 3.0
   42    46    55    57   0.15000  1.0 3.0
   42    46    55    58   0.15000  1.0 3.0
   46    42    47    48   0.30150 -1.0 2.0
   46    42    47    49   0.74550  1.0 1.0
   46    42    47    49  -0.00500 -1.0 2.0
   46    42    50    51  -0.11600  1.0 1.0
   46    42    50    51  -0.09450 -1.0 2.0
   46    42    50    51   0.21250  1.0 3.0
   46    52    59    60   0.15000  1.0 3.0
   46    52    59    61   0.15000  1.0 3.0
   46    52    59    62   0.56750  1.0 1.0
   46    52    59    62  -0.07550 -1.0 2.0
   46    52    59    62   0.20000  1.0 3.0
   46    66   -39    33   0.56750  1.0 1.0
   46    66   -39    33  -0.07550 -1.0 2.0
   46    66   -39    33   0.20000  1.0 3.0
   46    66    39    40   0.15000  1.0 3.0
   46    66    39    41   0.15000  1.0 3.0
   52    46    66    65   0.56750  1.0 1.0
   52    46    66    65  -0.07550 -1.0 2.0
   52    46    66    65   0.20000  1.0 3.0
   52    46    66    67   0.15000  1.0 3.0
   52    46    66    39   0.56750  1.0 1.0
   52    46    66    39  -0.07550 -1.0 2.0
   52    46    66    39   0.20000  1.0 3.0
   52    46    55    56   0.15000  1.0 3.0
   52    46    55    57   0.15000  1.0 3.0
   52    46    55    58   0.15000  1.0 3.0
   52    59    62    63   0.15000  1.0 3.0
   52    59    62    64   0.15000  1.0 3.0
   52    59   -62    65   0.56750  1.0 1.0
   52    59   -62    65  -0.07550 -1.0 2.0
   52    59   -62    65   0.20000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    62   0.15000  1.0 3.0
   59    62    65    66   0.56750  1.0 1.0
   59    62    65    66  -0.07550 -1.0 2.0
   59    62    65    66   0.20000  1.0 3.0
   59    62    65    68   0.56750  1.0 1.0
   59    62    65    68  -0.07550 -1.0 2.0
   59    62    65    68   0.20000  1.0 3.0
   59    62    65    72   0.56750  1.0 1.0
   59    62    65    72  -0.07550 -1.0 2.0
   59    62    65    72   0.20000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65   -66    46   0.56750  1.0 1.0
   62    65   -66    46  -0.07550 -1.0 2.0
   62    65   -66    46   0.20000  1.0 3.0
   62    65    66    67   0.15000  1.0 3.0
   62    65    66    39   0.56750  1.0 1.0
   62    65    66    39  -0.07550 -1.0 2.0
   62    65    66    39   0.20000  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70   0.15000  1.0 3.0
   62    65    68    71   0.15000  1.0 3.0
   62    65    72    73   0.15000  1.0 3.0
   62    65    72    74   0.15000  1.0 3.0
   62    65    72    75   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    72   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   64    62    65    72   0.15000  1.0 3.0
   65    66    39    33   0.56750  1.0 1.0
   65    66    39    33  -0.07550 -1.0 2.0
   65    66    39    33   0.20000  1.0 3.0
   65    66    39    40   0.15000  1.0 3.0
   65    66    39    41   0.15000  1.0 3.0
   66    46    52    53   0.15000  1.0 3.0
   66    46    52    54   0.15000  1.0 3.0
   66    46   -52    59   0.56750  1.0 1.0
   66    46   -52    59  -0.07550 -1.0 2.0
   66    46   -52    59   0.20000  1.0 3.0
   66    46    55    56   0.15000  1.0 3.0
   66    46    55    57   0.15000  1.0 3.0
   66    46    55    58   0.15000  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
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    75   0.15000  1.0 3.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.15000  1.0 3.0
   67    66    39    41   0.15000  1.0 3.0
   39    33   -38    42   0.46850  1.0 1.0
   39    33   -38    42   0.08550 -1.0 2.0
   39    33   -38    42   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
   68    65    66    46   0.56750  1.0 1.0
   68    65    66    46  -0.07550 -1.0 2.0
   68    65    66    46   0.20000  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    39   0.56750  1.0 1.0
   68    65    66    39  -0.07550 -1.0 2.0
   68    65    66    39   0.20000  1.0 3.0
   68    65    72    73   0.15000  1.0 3.0
   68    65    72    74   0.15000  1.0 3.0
   68    65    72    75   0.15000  1.0 3.0
   72    65    66    46   0.56750  1.0 1.0
   72    65    66    46  -0.07550 -1.0 2.0
   72    65    66    46   0.20000  1.0 3.0
   72    65    66    67   0.15000  1.0 3.0
   72    65    66    39   0.56750  1.0 1.0
   72    65    66    39  -0.07550 -1.0 2.0
   72    65    66    39   0.20000  1.0 3.0
   72    65    68    69   0.15000  1.0 3.0
   72    65    68    70   0.15000  1.0 3.0
   72    65    68    71   0.15000  1.0 3.0
   55    46    52    53   0.15000  1.0 3.0
   55    46    52    54   0.15000  1.0 3.0
   55    46    52    59   0.56750  1.0 1.0
   55    46    52    59  -0.07550 -1.0 2.0
   55    46    52    59   0.20000  1.0 3.0
   55    46    66    65   0.56750  1.0 1.0
   55    46    66    65  -0.07550 -1.0 2.0
   55    46    66    65   0.20000  1.0 3.0
   55    46    66    67   0.15000  1.0 3.0
   55    46    66    39   0.56750  1.0 1.0
   55    46    66    39  -0.07550 -1.0 2.0
   55    46    66    39   0.20000  1.0 3.0
   47    42    46    52  -0.95700  1.0 1.0
   47    42    46    52  -0.18200 -1.0 2.0
   47    42    46    52   0.29450  1.0 3.0
   47    42    46    66  -0.95700  1.0 1.0
   47    42    46    66  -0.18200 -1.0 2.0
   47    42    46    66   0.29450  1.0 3.0
   47    42    46    55  -0.95700  1.0 1.0
   47    42    46    55  -0.18200 -1.0 2.0
   47    42    46    55   0.29450  1.0 3.0
   47    42    50    51   0.91850  1.0 1.0
   47    42    50    51   0.57950  1.0 3.0
   50    42    46    52   0.86500  1.0 1.0
   50    42    46    52  -0.17500 -1.0 2.0
   50    42    46    52   0.20800  1.0 3.0
   50    42    46    66   0.86500  1.0 1.0
   50    42    46    66  -0.17500 -1.0 2.0
   50    42    46    66   0.20800  1.0 3.0
   50    42    46    55   0.86500  1.0 1.0
   50    42    46    55  -0.17500 -1.0 2.0
   50    42    46    55   0.20800  1.0 3.0
   50    42    47    48   0.30150 -1.0 2.0
   50    42    47    49   0.00000  1.0 1.0
   43    38    42    46   0.09850  1.0 1.0
   43    38    42    46   0.15250 -1.0 2.0
   43    38    42    46  -0.50650  1.0 3.0
   43    38    42    47  -0.51250  1.0 1.0
   43    38    42    47  -0.88800 -1.0 2.0
   43    38    42    47   0.08850  1.0 3.0
   43    38    42    50   0.67800  1.0 1.0
   43    38    42    50   0.47050 -1.0 2.0
   43    38    42    50  -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    42    38    43   1.10000 -1.0 2.0
   42    49    47    48  10.50000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
END
