* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    143    225     422
    1     0 S   NP   _N1_     1    28.74609    96.56424   -22.38868
    2     1 S   H    _HN1     2     1.02790    97.77721   -90.06305
    3     1 S   H    _H1_     3     1.02951    72.31962    16.80920
    4     1 S   H    _H2_     4     1.02828    41.82515   161.73807
    5     1 S   CT   _CA1     5     1.50114   146.17097   117.27733
    6     5 S   HC   _HA1     6     1.09576   105.18846    89.23143
    7     5 S   CO3  _C1_     7     1.53784   112.47744   -30.99988
    8     7 S   O2Z  _O11     8     1.26375   115.00638   -42.35731
    9     7 S   O2Z  _O12     9     1.26243   114.94485   136.75726
   10     5 S   CT   _CB1    10     1.53074   107.41612  -152.78549
   11    10 S   HC   HB11    11     1.09837   109.35575   -49.66182
   12    10 S   HC   HB12    12     1.09814   110.45583    66.94257
   13    10 S   CT   _CG1    13     1.52997   112.61399  -170.63124
   14    13 S   HC   HG11    14     1.09580   110.65571   -66.15727
   15    13 S   HC   HG12    15     1.09672   109.76318    53.08095
   16    13 S   C    _CD1    16     1.51800   112.17508   173.53559
   17    16 S   O    _OE1    17     1.22736   123.26330     8.23588
   18    16 S   N    _N2_    18     1.38659   111.70660  -171.83259
   19    18 S   H    _HN2    19     1.01575   118.93886     1.63710
   20    18 S   CT1  _CA2    20     1.46218   123.37992   177.12710
   21    20 S   HC   _HA2    21     1.09741   109.36475     4.19036
   22    20 S   C    _C2_    22     1.53615   108.55184  -111.25453
   23    22 S   O    _O2_    23     1.23063   122.29125  -147.45060
   24    20 S   CT   _CB2    32     1.53554   111.69545   126.24770
   25    24 S   HC   HB21    33     1.09453   109.40602    56.22426
   26    24 S   HC   HB22    34     1.09284   109.45870   175.14816
   27    22 S   N    _N3_    24     1.38330   113.73405    39.95306
   28    27 S   H    _HN3    25     1.01573   119.59890    -3.13669
   29    24 S   S    _SG2    35     1.82915   111.07766   -64.40698
   30    27 S   CT   _CA3    26     1.45286   123.23687   177.22392
   31    30 S   HC   HA31    27     1.09548   107.49913   -64.96550
   32    30 S   HC   HA32    28     1.09557   108.00394    51.48185
   33    29 S   CT   _C5_    36     1.87669   102.88896  -173.17053
   34    30 S   CO3  _C3_    29     1.52968   114.06314   173.49320
   35    34 S   O2Z  _O31    30     1.26379   116.07126    -0.57980
   36    34 S   O2Z  _O32    31     1.26428   114.41350   179.47961
   37    33 S   CT   _C6_    37     1.55847   109.76189   -56.02169
   38    37 S   HC   _H9_    38     1.09741   107.98865    63.51139
   39    37 S   HC   _H10    39     1.09607   110.69442   -51.46494
   40    33 S   CT   _C17    55     1.56285   107.93759  -177.52196
   41    40 S   HC   _H5_    56     1.09245   107.73239  -179.79826
   42    33 S   CT   _C4_    71     1.54389   107.76990    64.41102
   43    42 S   HC   _H6_    72     1.09623   112.22117    47.95138
   44    42 S   HC   _H7_    73     1.09478   112.08334   -73.58796
   45    42 S   HC   _H8_    74     1.09562   111.16380   167.28889
   46    37 S   CT   _C7_    40     1.54200   116.42913  -178.23997
   47    46 S   HC   _H11    41     1.09823   106.97579  -131.42883
   48    46 S   HC   _H12    42     1.09332   112.12974   -15.66076
   49    40 S   OH   _O34    57     1.43492   110.09850   -66.53101
   50    49 S   HO   _H25    58     0.97241   107.68488  -177.24565
   51    46 S   C4T  _C8_    43     1.53142   112.95416   110.58274
   52    51 S   HC   _H3_    44     1.10168   109.54940    43.17222
   53    51 S   C4T  _C9_    45     1.56549   119.58185   -87.26609
   54    53 S   HC   _H4_    46     1.09899   112.43146   -31.47011
   55    51 S   C4T  _C11    62     1.57707   116.38324   169.78169
   56    53 S   CO4  _C14    47     1.55512   117.44038    99.01981
   57    56 S   O    _O33    48     1.23771   123.33821    71.86455
   58    53 S   C4T  _C10    59     1.55301    87.46246  -141.76942
   59    58 S   HC   _H13    60     1.09466   115.01702   141.40254
   60    58 S   HC   _H14    61     1.09695   114.11950   -93.13041
   61    55 S   CT   _C12    63     1.53143   117.42055    30.49349
   62    61 S   HC   _H15    64     1.09526   110.94682   -72.33139
   63    61 S   HC   _H16    65     1.09566   110.71121   168.10440
   64    61 S   HC   _H17    66     1.09492   112.10014    48.19350
   65    55 S   CT   _C13    67     1.52783   113.32659  -100.79801
   66    65 S   HC   _H18    68     1.09530   110.77874    72.28827
   67    65 S   HC   _H19    69     1.09551   111.69712   -47.69893
   68    65 S   HC   _H20    70     1.09538   110.94034  -167.67529
   69    56 S   CT   _C15    49     1.51940   117.56036  -107.31042
   70    69 S   HC   _H21    50     1.09684   107.15227  -162.90868
   71    69 S   HC   _H22    51     1.09451   109.91506   -47.25790
   72    69 S   CT   _C16    52     1.52768   110.37217    78.06149
   73    72 S   HC   _H23    53     1.09456   108.32423    35.94353
   74    72 S   HC   _H24    54     1.09754   107.89991   151.34684
  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  13   5   4   3
  19   2   1   1  17   7   6  15   7   6   2   1   1  11   5   4
   5   1  18   7  13   7  12  10   5  11   3   2   7   3   2   1
   3   2   1   1   5   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    72    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    69    72    73    74    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    72    40    41    49    55    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    56    69    70    71    72    73    74  
   49    50    42    69    72    73    74  
   43    44    45    46    49    72  
   44    45  
   45  
    0  
   47    48    51    52    53    54    56    58    55    61    65  
   48    51    52    53    55  
   51    52    53    55  
   50    69    72    73    74  
   72  
   52    53    54    56    57    69    58    59    60    55    61    62    63    64    65    66    67    68  
   53    54    56    58    55    61    65  
   54    56    57    69    70    71    72    58    59    60    55    61    65  
   56    57    69    58    59    60    55  
   61    62    63    64    65    66    67    68    56    58    59    60  
   57    69    70    71    72    73    74    58    59    60  
   69    70    71    72    58  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    65  
   61    65  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.037300   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.447300   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.121200   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  -0.121200   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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
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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   260.000  1.519
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    56   265.000  1.493
   53    58   268.000  1.529
   56    57   570.000  1.229
   56    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    55   268.000  1.529
   55    61   260.000  1.519
   55    65   260.000  1.519
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    72    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.98000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    45.00000  112.72800
   46    51    53    65.00000  119.52000
   46    51    55    65.00000  119.52000
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  111.22300
   51    46    48    45.00000  111.22300
   51    53    54    37.50000  110.70000
   51    53    56    80.00000  115.07000
   51    53    58    63.00000   92.00000
   51    55    58    63.00000   92.00000
   51    55    61    65.00000  119.52000
   51    55    65    65.00000  119.52000
   53    51    52    37.50000  110.70000
   53    56    57    65.00000  127.62700
   53    56    69    70.00000  116.00000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    55    63.00000   92.00000
   56    53    54    40.00000  111.84800
   56    69    70    35.00000  109.50000
   56    69    71    35.00000  109.50000
   56    69    72    63.00000  111.10000
   69    56    57    80.00000  120.40000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    40    41    37.50000  110.70000
   72    40    49    50.00000  109.50000
   74    72    73    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    72    74    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   58    53    54    37.50000  110.70000
   58    53    56    80.00000  115.07000
   58    55    61    65.00000  119.52000
   58    55    65    65.00000  119.52000
   60    58    59    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000   92.00000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    61    62    45.00000  111.22300
   55    61    63    45.00000  111.22300
   55    61    64    45.00000  111.22300
   55    65    66    45.00000  111.22300
   55    65    67    45.00000  111.22300
   55    65    68    45.00000  111.22300
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    55    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.31550 -1.0 2.0
   33    37    46    51   0.11250  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    72   0.56750  1.0 1.0
   37    33    40    72  -0.07550 -1.0 2.0
   37    33    40    72   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.15000  1.0 3.0
   37    46    51    53   0.04050  1.0 1.0
   37    46    51    53   0.63700 -1.0 2.0
   37    46    51    53   0.17650  1.0 3.0
   37    46    51    55   0.04050  1.0 1.0
   37    46    51    55   0.63700 -1.0 2.0
   37    46    51    55   0.17650  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    56  -0.95700  1.0 1.0
   46    51    53    56  -0.18200 -1.0 2.0
   46    51    53    56   0.29450  1.0 3.0
   46    51    53    58  -0.70950  1.0 1.0
   46    51    53    58   0.38400 -1.0 2.0
   46    51   -55    58  -0.70950  1.0 1.0
   46    51   -55    58   0.38400 -1.0 2.0
   46    51    55    61   0.56750  1.0 1.0
   46    51    55    61  -0.07550 -1.0 2.0
   46    51    55    61   0.20000  1.0 3.0
   46    51    55    65   0.56750  1.0 1.0
   46    51    55    65  -0.07550 -1.0 2.0
   46    51    55    65   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    55   0.00000  1.0 1.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.00000  1.0 1.0
   48    46    51    55   0.00000  1.0 1.0
   51    53    56    57  -0.11250  1.0 1.0
   51    53    56    57   0.11400 -1.0 2.0
   51    53    56    57  -0.28950  1.0 3.0
   51    53    56    69   0.60050  1.0 1.0
   51    53    56    69   0.05600 -1.0 2.0
   51    53    56    69   0.26150  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53   -58    55   0.00000  1.0 1.0
   51    55    61    62   0.00000  1.0 1.0
   51    55    61    63   0.00000  1.0 1.0
   51    55    61    64   0.00000  1.0 1.0
   51    55    65    66   0.00000  1.0 1.0
   51    55    65    67   0.00000  1.0 1.0
   51    55    65    68   0.00000  1.0 1.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51   -55    58   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   52    51    55    65   0.15000  1.0 3.0
   53    51   -55    58   0.00000  1.0 1.0
   53    51    55    61  -0.70950  1.0 1.0
   53    51    55    61   0.38400 -1.0 2.0
   53    51    55    65  -0.70950  1.0 1.0
   53    51    55    65   0.38400 -1.0 2.0
   53    56    69    70   0.00000  1.0 1.0
   53    56    69    71   0.00000  1.0 1.0
   53    56    69    72   0.60050  1.0 1.0
   53    56    69    72   0.05600 -1.0 2.0
   53    56    69    72   0.26150  1.0 3.0
   53    58   -55    51   0.00000  1.0 1.0
   53    58   -55    61  -0.70950  1.0 1.0
   53    58   -55    61   0.38400 -1.0 2.0
   53    58   -55    65  -0.70950  1.0 1.0
   53    58   -55    65   0.38400 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    69   0.00000  1.0 1.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    55   0.15000  1.0 3.0
   56    53    58    59   0.15000  1.0 3.0
   56    53    58    60   0.15000  1.0 3.0
   56    53    58    55   0.00000  1.0 1.0
   56    69    72    73  -0.11250  1.0 3.0
   56    69    72    74  -0.11250  1.0 3.0
   56    69    72    40  -0.95700  1.0 1.0
   56    69    72    40  -0.18200 -1.0 2.0
   56    69    72    40   0.29450  1.0 3.0
   57    56    69    70   0.00000  1.0 1.0
   57    56    69    71   0.00000  1.0 1.0
   57    56    69    72   0.30150 -1.0 2.0
   69    72    40    33   0.56750  1.0 1.0
   69    72    40    33  -0.07550 -1.0 2.0
   69    72    40    33   0.20000  1.0 3.0
   69    72    40    41   0.15000  1.0 3.0
   69    72    40    49   0.86500  1.0 1.0
   69    72    40    49  -0.17500 -1.0 2.0
   69    72    40    49   0.20800  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    40   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    40   0.15000  1.0 3.0
   72    40    49    50  -0.11600  1.0 1.0
   72    40    49    50  -0.09450 -1.0 2.0
   72    40    49    50   0.21250  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    41   0.15000  1.0 3.0
   73    72    40    49   0.23400  1.0 3.0
   74    72    40    33   0.15000  1.0 3.0
   74    72    40    41   0.15000  1.0 3.0
   74    72    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   58    53    56    57  -0.11250  1.0 1.0
   58    53    56    57   0.11400 -1.0 2.0
   58    53    56    57  -0.28950  1.0 3.0
   58    53    56    69   0.60050  1.0 1.0
   58    53    56    69   0.05600 -1.0 2.0
   58    53    56    69   0.26150  1.0 3.0
   58    55    61    62   0.00000  1.0 1.0
   58    55    61    63   0.00000  1.0 1.0
   58    55    61    64   0.00000  1.0 1.0
   58    55    65    66   0.00000  1.0 1.0
   58    55    65    67   0.00000  1.0 1.0
   58    55    65    68   0.00000  1.0 1.0
   59    58   -55    51   0.15000  1.0 3.0
   59    58    55    61   0.15000  1.0 3.0
   59    58    55    65   0.15000  1.0 3.0
   60    58   -55    51   0.15000  1.0 3.0
   60    58    55    61   0.15000  1.0 3.0
   60    58    55    65   0.15000  1.0 3.0
   55    51   -53    54   0.15000  1.0 3.0
   55    51   -53    56   0.00000  1.0 1.0
   55    51   -53    58   0.00000  1.0 1.0
   61    55    65    66   0.15000  1.0 3.0
   61    55    65    67   0.15000  1.0 3.0
   61    55    65    68   0.15000  1.0 3.0
   65    55    61    62   0.15000  1.0 3.0
   65    55    61    63   0.15000  1.0 3.0
   65    55    61    64   0.15000  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    72   0.56750  1.0 1.0
   42    33    40    72  -0.07550 -1.0 2.0
   42    33    40    72   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   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
   35    30    34    36  10.50000 -1.0 2.0
   53    69    56    57  10.50000 -1.0 2.0
END
