* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    215     416
    1     0 S   NP   _N1_     1    28.75355    96.78223   -21.91406
    2     1 S   H    _HN1     2     1.02783    95.09986   -89.65162
    3     1 S   H    _H1_     3     1.02951    73.40901    18.02034
    4     1 S   H    _H2_     4     1.02829    42.41302   159.27647
    5     1 S   CT   _CA1     5     1.50119   148.34234   120.14022
    6     5 S   HC   _HA1     6     1.09563   105.22328    86.37833
    7     5 S   CO3  _C1_     7     1.53825   112.41292   -33.97259
    8     7 S   O2Z  _O11     8     1.26382   114.98181   -41.64623
    9     7 S   O2Z  _O12     9     1.26225   114.98619   137.47458
   10     5 S   CT   _CB1    10     1.53079   107.43293  -155.47668
   11    10 S   HC   HB11    11     1.09828   109.53631   -47.94471
   12    10 S   HC   HB12    12     1.09817   110.38525    68.73246
   13    10 S   CT   _CG1    13     1.52974   112.57024  -168.87019
   14    13 S   HC   HG11    14     1.09482   110.62062   -62.15692
   15    13 S   HC   HG12    15     1.09667   109.83976    56.91224
   16    13 S   C    _CD1    16     1.51811   112.24955   177.17271
   17    16 S   O    _OE1    17     1.22732   123.27475     0.33977
   18    16 S   N    _N2_    18     1.38622   111.66685  -179.12755
   19    18 S   H    _HN2    19     1.01593   118.97438     1.02507
   20    18 S   CT1  _CA2    20     1.46242   123.44762   177.07872
   21    20 S   HC   _HA2    21     1.09737   109.35272     2.62368
   22    20 S   C    _C2_    22     1.53611   108.72249  -112.76976
   23    22 S   O    _O2_    23     1.23062   122.29963  -149.79857
   24    20 S   CT   _CB2    32     1.53427   111.48637   124.70271
   25    24 S   HC   HB21    33     1.09434   109.54633    55.73440
   26    24 S   HC   HB22    34     1.09428   109.82985   174.31983
   27    22 S   N    _N3_    24     1.38337   113.77048    37.80238
   28    27 S   H    _HN3    25     1.01575   119.55832    -3.60641
   29    24 S   S    _SG2    35     1.83402   111.00611   -66.48917
   30    27 S   CT   _CA3    26     1.45284   123.21740   177.04249
   31    30 S   HC   HA31    27     1.09549   107.51815   -64.34846
   32    30 S   HC   HA32    28     1.09556   107.97933    52.09362
   33    29 S   CT   _C19    36     1.84957   102.29490   164.46783
   34    30 S   CO3  _C3_    29     1.52957   114.07229   174.07017
   35    34 S   O2Z  _O31    30     1.26377   116.05519    -0.99721
   36    34 S   O2Z  _O32    31     1.26426   114.41871   179.07423
   37    33 S   CM   _C16    37     1.51776   111.51104   -63.60059
   38    33 S   CT   _C7_    57     1.60591   113.53845   158.62361
   39    38 S   HC   _H3_    58     1.10238   105.88861  -157.90331
   40    37 S   CMA  _C17    38     1.35383   110.89029   130.13391
   41    40 S   OM   _O36    39     1.26403   128.67391  -178.97226
   42    37 S   CT   _C15    43     1.52715   125.50198   -36.97662
   43    42 S   HC   _H19    44     1.09774   107.34839    60.03200
   44    42 S   HC   _H20    45     1.09788   110.82977   170.78040
   45    38 S   CT   _C6_    59     1.57535   111.35741   -43.50320
   46    45 S   HC   _H11    60     1.09422   111.16954   -17.84743
   47    45 S   HC   _H12    61     1.09749   110.31047    98.99215
   48    40 S   OS   _O34    40     1.41941   109.84702    -3.55595
   49    42 S   CM   _C12    46     1.51690   118.98577   -64.69847
   50    45 S   CT   _C5_    62     1.53636   113.17190  -136.93888
   51    50 S   HC   _H9_    63     1.09331   111.43515   -58.47845
   52    50 S   HC   _H10    64     1.09646   109.45209    59.68333
   53    33 S   CO4  _C18    41     1.52248   110.49930    43.14005
   54    53 S   O    _O35    42     1.22471   126.52534    46.80109
   55    49 S   CT   _C11    47     1.51884   118.66503   -73.19423
   56    55 S   HC   _H5_    48     1.09644   108.69924  -133.82050
   57    50 S   CT   _C4_    65     1.52164   111.29479  -179.92867
   58    57 S   HC   _H6_    66     1.09469   111.04847   -59.75597
   59    57 S   HC   _H7_    67     1.09451   110.24402  -179.46259
   60    57 S   HC   _H8_    68     1.09465   110.95620    60.81080
   61    49 S   CM   _C13    71     1.35143   118.74227   112.76860
   62    61 S   HC   _H15    72     1.08798   118.38489    -3.61075
   63    55 S   CT   _C10    49     1.52698   114.13354   105.63766
   64    63 S   HC   _H13    50     1.09683   110.76257  -173.70932
   65    63 S   HC   _H14    51     1.09528   111.32278    67.95472
   66    55 S   OH   _O37    69     1.42694   110.86201   -19.64378
   67    66 S   HO   _H21    70     0.97139   108.26948   171.62867
   68    61 S   CT   _C14    73     1.49489   128.17252   176.87419
   69    68 S   HC   _H16    74     1.09415   109.57281  -120.51582
   70    68 S   HC   _H17    75     1.09451   109.56795   120.99661
   71    68 S   HC   _H18    76     1.09157   113.80713     0.21029
   72    63 S   CO4  _C9_    52     1.51702   111.95690   -54.08067
   73    72 S   O    _O33    53     1.23397   119.91393   -86.87717
   74    72 S   CT   _C8_    54     1.54777   116.68681    93.28236
   75    74 S   OM   _O38    55     1.32410    99.44395    94.71669
   76    74 S   HC   _H4_    56     1.09332   108.19889   -31.18262
  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  11   5   4   3
  20   2   1   1  15  19   9   8   3  12   4   3  14   6   5   2
  14   7   5   4   2   1  12   7   3   2   1   1   7   4   9   5
   4   2   1   3   2   1   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    53    54    42    74    38    39    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    48    53    54    42    43    44    49    72    74    75    76    38    39    45    46    47    50  
   35    36  
   36  
    0  
   40    41    48    53    54    42    43    44    49    55    74    38    39    45    61  
   39    45    46    47    50    51    52    57    40    42    48    53    54    63    72    73    74    75    76  
   45    46    47    50    53    72    74    75    76  
   41    48    53    54    42    43    44    49  
   48    53    42  
   43    44    49    55    56    63    66    61    62    68    48    53  
   44    49    55    61  
   49    55    61  
   46    47    50    51    52    57    58    59    60    53    72    74    75    76  
   47    50    51    52    57    74  
   50    51    52    57    74  
   53    54  
   55    56    63    64    65    72    66    67    61    62    68    69    70    71  
   51    52    57    58    59    60    74  
   52    57    58    59    60  
   57    58    59    60  
   54    74  
    0  
   56    63    64    65    72    73    74    66    67    61    62    68  
   63    64    65    72    66    67    61  
   58    59    60  
   59    60  
   60  
    0  
   62    68    69    70    71    63    66  
   68    69    70    71  
   64    65    72    73    74    75    76    66    67  
   65    72    73    74    66  
   72    73    74    66  
   67    72  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.120000   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   2.8500   0.1400  -0.565000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   76   2.4200   0.0150   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    53   317.000  1.522
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    53   214.000  1.327
   53    54   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   317.000  1.510
   49    55   317.000  1.510
   49    61   549.000  1.340
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   317.000  1.522
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   570.000  1.307
   74    76   340.000  1.090
   74    38   268.000  1.529
   38    39   340.000  1.090
   38    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   66    67   553.000  0.945
   61    62   340.000  1.080
   61    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    53    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    53    48    81.00000  111.40000
   33    53    54    80.00000  120.40000
   33    38    74    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    45    58.35000  112.70000
   37    40    41    65.00000  137.10300
   37    40    48    80.00000  120.01400
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    49    70.00000  110.12100
   40    48    53    90.00000  114.22900
   48    40    41    65.00000  121.00000
   48    53    54    83.00000  123.40000
   53    33    37    70.00000  109.06800
   42    37    40    70.00000  124.00000
   42    49    55    65.00000  117.92700
   42    49    61    70.00000  124.00000
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  109.50000
   49    55    56    35.00000  109.50000
   49    55    63    70.00000  112.02700
   49    55    66    90.00000  110.39200
   49    61    62    35.00000  120.00000
   49    61    68    70.00000  124.00000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    72    63.00000  111.10000
   55    66    67    55.00000  108.50000
   63    55    56    37.50000  110.70000
   63    72    73    80.00000  120.40000
   63    72    74    70.00000  116.00000
   65    63    64    33.00000  107.80000
   72    63    64    35.00000  109.50000
   72    63    65    35.00000  109.50000
   72    74    75    90.00000  108.74100
   72    74    76    35.00000  109.50000
   72    74    38    63.00000  111.10000
   74    72    73    80.00000  120.40000
   74    38    39    37.50000  110.70000
   74    38    45    58.35000  112.70000
   76    74    75    45.00000  125.66300
   38    33    37    70.00000  112.02700
   38    33    53    63.00000  111.10000
   38    74    75    50.00000  109.50000
   38    74    76    37.50000  110.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    45    50    58.35000  112.70000
   45    38    39    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   66    55    56    35.00000  109.50000
   66    55    63    50.00000  109.50000
   61    49    55    70.00000  124.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   68    61    62    35.00000  117.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    53    48   0.40000  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    38    74   0.44750  1.0 1.0
   29    33    38    74  -0.17800 -1.0 2.0
   29    33    38    74   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    48   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    49   0.09700  1.0 1.0
   33    37    42    49   0.15600 -1.0 2.0
   33    37    42    49  -0.50800  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    45    50   0.56750  1.0 1.0
   33    38    45    50  -0.07550 -1.0 2.0
   33    38    45    50   0.20000  1.0 3.0
   37    33   -53    48   0.40000  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    38    74   0.34400  1.0 1.0
   37    33    38    74   0.09450 -1.0 2.0
   37    33    38    74   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    45   0.34400  1.0 1.0
   37    33    38    45   0.09450 -1.0 2.0
   37    33    38    45   0.11100  1.0 3.0
   37    40   -48    53  -1.93650  1.0 1.0
   37    40   -48    53   2.17750 -1.0 2.0
   37    40   -48    53  -0.40250  1.0 3.0
   37    42    49    55   0.09700  1.0 1.0
   37    42    49    55   0.15600 -1.0 2.0
   37    42    49    55  -0.50800  1.0 3.0
   37    42    49    61  -0.28300  1.0 1.0
   37    42    49    61   0.26700 -1.0 2.0
   37    42    49    61  -0.63300  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    49  -0.28300  1.0 1.0
   40    37    42    49   0.26700 -1.0 2.0
   40    37    42    49  -0.63300  1.0 3.0
   40    48   -53    33   0.82650  1.0 1.0
   40    48   -53    33   1.69000 -1.0 2.0
   40    48    53    54   3.00000 -1.0 2.0
   41    40    48    53   2.00000 -1.0 2.0
   53    33   -37    40  -0.51250  1.0 1.0
   53    33   -37    40  -0.88800 -1.0 2.0
   53    33   -37    40   0.08850  1.0 3.0
   53    33    37    42   0.17250  1.0 1.0
   53    33    37    42  -0.04100 -1.0 2.0
   53    33    37    42  -0.33850  1.0 3.0
   53    33    38    74  -0.95700  1.0 1.0
   53    33    38    74  -0.18200 -1.0 2.0
   53    33    38    74   0.29450  1.0 3.0
   53    33    38    39  -0.11250  1.0 3.0
   53    33    38    45  -0.95700  1.0 1.0
   53    33    38    45  -0.18200 -1.0 2.0
   53    33    38    45   0.29450  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    48   7.00000 -1.0 2.0
   42    49    55    56   0.34800  1.0 3.0
   42    49    55    63   0.46850  1.0 1.0
   42    49    55    63   0.08550 -1.0 2.0
   42    49    55    63   0.09800  1.0 3.0
   42    49    55    66   0.18000  1.0 1.0
   42    49    55    66   0.16450 -1.0 2.0
   42    49    55    66   0.04450  1.0 3.0
   42    49    61    62   7.00000 -1.0 2.0
   42    49    61    68   7.00000 -1.0 2.0
   43    42    49    55   0.34800  1.0 3.0
   43    42    49    61   0.00000  1.0 1.0
   44    42    49    55   0.34800  1.0 3.0
   44    42    49    61   0.00000  1.0 1.0
   49    55    63    64   0.15000  1.0 3.0
   49    55    63    65   0.15000  1.0 3.0
   49    55    63    72  -0.98800  1.0 1.0
   49    55    63    72   0.48800 -1.0 2.0
   49    55    63    72   0.76800  1.0 3.0
   49    55    66    67  -0.07800  1.0 1.0
   49    55    66    67  -0.21500 -1.0 2.0
   49    55    66    67  -0.03150  1.0 3.0
   49    61    68    69   0.00000  1.0 1.0
   49    61    68    70   0.00000  1.0 1.0
   49    61    68    71   0.00000  1.0 1.0
   55    49    61    62   7.00000 -1.0 2.0
   55    49    61    68   7.00000 -1.0 2.0
   55    63    72    73   0.30150 -1.0 2.0
   55    63    72    74   0.60050  1.0 1.0
   55    63    72    74   0.05600 -1.0 2.0
   55    63    72    74   0.26150  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    72  -0.11250  1.0 3.0
   56    55    66    67   0.19450  1.0 3.0
   63    55    66    67  -0.11600  1.0 1.0
   63    55    66    67  -0.09450 -1.0 2.0
   63    55    66    67   0.21250  1.0 3.0
   63    72    74    75   0.55300  1.0 1.0
   63    72    74    75   1.25850 -1.0 2.0
   63    72    74    75  -0.23600  1.0 3.0
   63    72    74    76   0.00000  1.0 1.0
   63    72    74    38   0.60050  1.0 1.0
   63    72    74    38   0.05600 -1.0 2.0
   63    72    74    38   0.26150  1.0 3.0
   64    63    72    73   0.00000  1.0 1.0
   64    63    72    74   0.00000  1.0 1.0
   65    63    72    73   0.00000  1.0 1.0
   65    63    72    74   0.00000  1.0 1.0
   72    74    38    33  -0.95700  1.0 1.0
   72    74    38    33  -0.18200 -1.0 2.0
   72    74    38    33   0.29450  1.0 3.0
   72    74    38    39  -0.11250  1.0 3.0
   72    74    38    45  -0.95700  1.0 1.0
   72    74    38    45  -0.18200 -1.0 2.0
   72    74    38    45   0.29450  1.0 3.0
   73    72    74    75   0.30150 -1.0 2.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    38   0.30150 -1.0 2.0
   74    38    45    46   0.15000  1.0 3.0
   74    38    45    47   0.15000  1.0 3.0
   74    38    45    50   0.56750  1.0 1.0
   74    38    45    50  -0.07550 -1.0 2.0
   74    38    45    50   0.20000  1.0 3.0
   75    74    38    33   0.62750  1.0 1.0
   75    74    38    33  -0.30950 -1.0 2.0
   75    74    38    33   0.27300  1.0 3.0
   75    74    38    39   0.23400  1.0 3.0
   75    74    38    45   0.62750  1.0 1.0
   75    74    38    45  -0.30950 -1.0 2.0
   75    74    38    45   0.27300  1.0 3.0
   76    74    38    33   0.15000  1.0 3.0
   76    74    38    39   0.15000  1.0 3.0
   76    74    38    45   0.15000  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    53    48   0.36750  1.0 3.0
   38    33    53    54   0.30150 -1.0 2.0
   38    45    50    51   0.15000  1.0 3.0
   38    45    50    52   0.15000  1.0 3.0
   38    45    50    57   0.56750  1.0 1.0
   38    45    50    57  -0.07550 -1.0 2.0
   38    45    50    57   0.20000  1.0 3.0
   39    38    45    46   0.15000  1.0 3.0
   39    38    45    47   0.15000  1.0 3.0
   39    38    45    50   0.15000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    60   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   66    55    63    64   0.23400  1.0 3.0
   66    55    63    65   0.23400  1.0 3.0
   66    55    63    72  -0.09450  1.0 1.0
   66    55    63    72  -1.12950 -1.0 2.0
   66    55    63    72   0.54000  1.0 3.0
   61    49    55    56   0.00000  1.0 1.0
   61    49    55    63   0.09850  1.0 1.0
   61    49    55    63   0.15250 -1.0 2.0
   61    49    55    63  -0.50650  1.0 3.0
   61    49    55    66   0.67800  1.0 1.0
   61    49    55    66   0.47050 -1.0 2.0
   61    49    55    66  -0.62500  1.0 3.0
   62    61    68    69   0.33100  1.0 3.0
   62    61    68    70   0.33100  1.0 3.0
   62    61    68    71   0.33100  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   41    48    40    37   1.10000 -1.0 2.0
   33    48    53    54  10.50000 -1.0 2.0
   42    55    49    61   1.10000 -1.0 2.0
   63    74    72    73  10.50000 -1.0 2.0
   68    62    61    49   1.10000 -1.0 2.0
END
