* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    215     419
    1     0 S   NP   _N1_     1    29.28008    92.11370   -22.09944
    2     1 S   H    _HN1     2     1.02775    96.28003   -71.05963
    3     1 S   H    _H1_     3     1.03039   105.78305    39.80766
    4     1 S   H    _H2_     4     1.02821    13.36289   137.45823
    5     1 S   CT   _CA1     5     1.50151   122.64479   167.46301
    6     5 S   HC   _HA1     6     1.09566   105.30142    53.26740
    7     5 S   CO3  _C1_     7     1.53806   112.32338   -67.02967
    8     7 S   O2Z  _O11     8     1.26350   115.09356   -44.59394
    9     7 S   O2Z  _O12     9     1.26250   114.88833   134.58072
   10     5 S   CT   _CB1    10     1.52987   107.28519   171.18477
   11    10 S   HC   HB11    11     1.09816   109.34769   -50.30785
   12    10 S   HC   HB12    12     1.09770   110.30470    66.14312
   13    10 S   CT   _CG1    13     1.53048   113.11356  -171.88296
   14    13 S   HC   HG11    14     1.09531   110.22800   -58.52950
   15    13 S   HC   HG12    15     1.09567   110.56447    60.84072
   16    13 S   C    _CD1    16     1.51743   110.90986  -179.51382
   17    16 S   O    _OE1    17     1.22827   122.60289   -29.37100
   18    16 S   N    _N2_    18     1.38547   112.45059   151.31109
   19    18 S   H    _HN2    19     1.01568   119.41470     2.86047
   20    18 S   CT1  _CA2    20     1.46070   122.90146  -174.92221
   21    20 S   HC   _HA2    21     1.09581   109.18929   -13.31340
   22    20 S   C    _C2_    22     1.53366   108.96948  -128.72094
   23    22 S   O    _O2_    23     1.23029   122.10959  -147.96228
   24    20 S   CT   _CB2    32     1.53636   111.69612   108.71146
   25    24 S   HC   HB21    33     1.09664   109.42825    66.48597
   26    24 S   HC   HB22    34     1.09579   110.75563  -176.42242
   27    22 S   N    _N3_    24     1.38477   113.45738    39.55012
   28    27 S   H    _HN3    25     1.01530   118.90218    -0.60068
   29    24 S   S    _SG2    35     1.83019   115.11463   -52.97523
   30    27 S   CT   _CA3    26     1.45440   123.38850   175.00186
   31    30 S   HC   HA31    27     1.09529   109.15161    26.00975
   32    30 S   HC   HA32    28     1.09493   107.14577   143.00530
   33    29 S   CT   _C15    36     1.82713   100.04453   -68.75057
   34    33 S   HC   _H3_    37     1.09554   108.69820   -63.71948
   35    33 S   HC   _H4_    38     1.09125   107.35767    51.98795
   36    30 S   CO3  _C3_    29     1.52931   113.16834   -97.40243
   37    36 S   O2Z  _O31    30     1.26398   115.43233   -43.95458
   38    36 S   O2Z  _O32    31     1.26359   114.96642   136.98177
   39    33 S   CO   _C12    39     1.54031   114.34518   173.15198
   40    39 S   CT   _C7_    40     1.53641   114.19176    59.01585
   41    40 S   HC   _H27    41     1.09509   113.04013   -43.12421
   42    39 S   OS   _O20    55     1.44369   108.78982   178.06629
   43    40 S   CT   _C5_    42     1.51617   100.71323  -159.64723
   44    43 S   HC   _H25    43     1.09628   111.00543   -77.63991
   45    40 S   OH   _O18    53     1.41594   113.25071    79.81191
   46    45 S   HO   _H41    54     0.97285   107.28854   167.68688
   47    42 S   CO   _C11    56     1.43144   116.22851    75.28060
   48    47 S   HC   _H31    57     1.09512   110.68589    -9.38806
   49    43 S   CT   _C9_    44     1.52607   100.97801    41.83414
   50    49 S   HC   _H29    45     1.09765   110.30290    83.92844
   51    43 S   OH   _O16    51     1.41695   112.21987   161.67161
   52    51 S   HO   _H39    52     0.97263   108.56105   -57.23087
   53    47 S   CT   _C6_    58     1.53509   110.01234  -128.98643
   54    53 S   HC   _H26    59     1.09633   109.50307   171.77801
   55    39 S   OS   _O14    46     1.44592   111.29123   -58.93951
   56    49 S   CT   _C14    47     1.52195   112.40987  -153.18365
   57    56 S   Cl   CL23    48     1.78356   110.95197  -171.97376
   58    56 S   HC   _H34    49     1.09123   111.22353    69.84168
   59    56 S   HC   _H35    50     1.09356   111.44889   -52.53034
   60    53 S   CT   _C4_    60     1.52902   110.71973   -67.08386
   61    60 S   HC   _H24    61     1.09732   109.18844    67.97244
   62    53 S   OH   _O17    75     1.42591   110.09605    54.68265
   63    62 S   HO   _H40    76     0.97355   106.89407  -175.22878
   64    60 S   CT   _C8_    62     1.53448   110.90201   -52.90539
   65    64 S   Cl   CL22    63     1.80252   110.65437   -70.57586
   66    64 S   HC   _H28    64     1.09517   109.66887   173.99916
   67    60 S   OH   _O15    73     1.42680   109.48942  -176.30923
   68    67 S   HO   _H38    74     0.97261   107.63804   178.09731
   69    64 S   CT   _C10    65     1.53862   109.81535    52.44269
   70    69 S   HC   _H30    66     1.09804   109.12794    63.24445
   71    47 S   OS   _O13    67     1.43676   110.79800   109.04272
   72    69 S   CT   _C13    68     1.53137   113.06111  -176.89789
   73    72 S   HC   _H32    69     1.09440   111.67328    78.75602
   74    72 S   HC   _H33    70     1.09437   111.07018   -44.24669
   75    72 S   OH   _O19    71     1.42517   109.18585  -162.67587
   76    75 S   HO   _H42    72     0.97250   107.00959  -178.73979
  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   7   5   4   3
  11   5   4   2   1   1  16  13   8  12  12   7   4   1  14   6
   8   6   3   1  12   7   4   3   2   1   1  12   7   4   1  11
   6   5   2   1   7   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    55    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    49    55    45    42    47  
   35    39    40    55    42  
   39    40    55    42  
   37    38  
   38  
    0  
   40    41    43    44    49    50    55    56    51    45    46    42    47    48    53    71  
   41    43    44    49    50    55    56    51    52    45    46    42    47  
   43    44    49    55    51    45    46    42  
   47    48    53    54    60    69    71    62    43    45    49    55  
   44    49    50    55    56    57    58    59    51    52    45    46  
   49    50    55    56    51    52    45  
   46    49    51    55  
    0  
   48    53    54    60    61    64    69    70    71    72    67    62    63    55  
   53    54    60    69    71    62  
   50    55    56    57    58    59    51    52  
   55    56    57    58    59    51  
   52    55    56  
    0  
   54    60    61    64    65    66    69    71    67    68    62    63  
   60    61    64    71    67    62    63  
   56    57    58    59  
   57    58    59  
   58    59  
   59  
    0  
   61    64    65    66    69    70    71    72    67    68    62    63  
   64    65    66    69    67    68    62  
   63    64    67    71  
    0  
   65    66    69    70    71    72    73    74    75    67    68  
   66    69    70    71    72    67  
   69    70    71    72    67  
   68    69  
    0  
   70    71    72    73    74    75    76  
   71    72    73    74    75  
   72    73    74    75  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   58   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   66   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   250.000  1.527
   39    40   250.000  1.527
   39    55   320.000  1.380
   39    42   320.000  1.380
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    55   320.000  1.410
   49    56   268.000  1.529
   56    57   245.000  1.781
   56    58   340.000  1.090
   56    59   340.000  1.090
   51    52   553.000  0.945
   45    46   553.000  0.945
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    53   250.000  1.527
   47    71   320.000  1.380
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    62   320.000  1.410
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    67   320.000  1.410
   64    65   245.000  1.781
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   320.000  1.410
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.410
   75    76   553.000  0.945
   67    68   553.000  0.945
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    65.00000  112.71400
   33    39    55    90.00000  108.56700
   33    39    42    90.00000  108.56700
   35    33    34    33.00000  107.80000
   39    33    34    45.00000  108.72000
   39    33    35    45.00000  108.72000
   39    40    41    45.00000  108.72000
   39    40    43    75.00000  109.43000
   39    40    45    90.00000  111.58700
   39    55    49    60.00000  109.50000
   39    42    47   100.00000  109.58800
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    55    50.00000  109.50000
   43    49    56    58.35000  112.70000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    56    57    69.00000  109.80000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   55    39    40    90.00000  108.56700
   55    49    50    35.00000  109.50000
   56    49    50    37.50000  110.70000
   56    49    55    50.00000  109.50000
   58    56    57    51.00000  107.60000
   59    56    57    51.00000  107.60000
   59    56    58    33.00000  107.80000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    39    40    90.00000  108.56700
   42    39    55    92.60000  111.55000
   42    47    48    35.00000  109.50000
   42    47    53    90.00000  108.56700
   42    47    71    92.60000  111.55000
   47    53    54    45.00000  108.72000
   47    53    60    75.00000  109.43000
   47    53    62    90.00000  111.58700
   47    71    69    60.00000  109.50000
   53    47    48    45.00000  112.01100
   53    60    61    37.50000  110.70000
   53    60    64    58.35000  112.70000
   53    60    67    50.00000  109.50000
   53    62    63    55.00000  108.50000
   60    53    54    37.50000  110.70000
   60    64    65    69.00000  109.80000
   60    64    66    37.50000  110.70000
   60    64    69    58.35000  112.70000
   60    67    68    55.00000  108.50000
   64    60    61    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    50.00000  109.50000
   64    69    72    58.35000  112.70000
   66    64    65    51.00000  107.60000
   69    64    65    69.00000  109.80000
   69    64    66    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    50.00000  109.50000
   71    47    48    35.00000  109.50000
   71    47    53    90.00000  108.56700
   71    69    70    35.00000  109.50000
   72    69    70    37.50000  110.70000
   72    69    71    50.00000  109.50000
   72    75    76    55.00000  108.50000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   67    60    61    35.00000  109.50000
   67    60    64    50.00000  109.50000
   62    53    54    35.00000  109.50000
   62    53    60    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    43   0.56750  1.0 1.0
   33    39    40    43  -0.07550 -1.0 2.0
   33    39    40    43   0.20000  1.0 3.0
   33    39    40    45   0.86500  1.0 1.0
   33    39    40    45  -0.17500 -1.0 2.0
   33    39    40    45   0.20800  1.0 3.0
   33    39    55    49   0.06250  1.0 1.0
   33    39    55    49  -0.01100 -1.0 2.0
   33    39    55    49   0.28050  1.0 3.0
   33    39    42    47   0.06250  1.0 1.0
   33    39    42    47  -0.01100 -1.0 2.0
   33    39    42    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    55   0.23400  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    43    44   0.15000  1.0 3.0
   39    40   -43    49   3.97050  1.0 1.0
   39    40    43    51   0.86500  1.0 1.0
   39    40    43    51  -0.17500 -1.0 2.0
   39    40    43    51   0.20800  1.0 3.0
   39    40    45    46  -0.11600  1.0 1.0
   39    40    45    46  -0.09450 -1.0 2.0
   39    40    45    46   0.21250  1.0 3.0
   39    42    47    48   0.37050  1.0 3.0
   39    42    47    53   0.06250  1.0 1.0
   39    42    47    53  -0.01100 -1.0 2.0
   39    42    47    53   0.28050  1.0 3.0
   39    42    47    71  -0.53350  1.0 1.0
   39    42    47    71  -0.78350 -1.0 2.0
   39    42    47    71   0.33750  1.0 3.0
   40    39   -55    49   0.06250  1.0 1.0
   40    39   -55    49  -0.01100 -1.0 2.0
   40    39   -55    49   0.28050  1.0 3.0
   40    39    42    47   0.06250  1.0 1.0
   40    39    42    47  -0.01100 -1.0 2.0
   40    39    42    47   0.28050  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43   -49    55   0.62750  1.0 1.0
   40    43   -49    55  -0.30950 -1.0 2.0
   40    43   -49    55   0.27300  1.0 3.0
   40    43    49    56   0.56750  1.0 1.0
   40    43    49    56  -0.07550 -1.0 2.0
   40    43    49    56   0.20000  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -55    39   0.06250  1.0 1.0
   43    49   -55    39  -0.01100 -1.0 2.0
   43    49   -55    39   0.28050  1.0 3.0
   43    49    56    57   0.35600  1.0 1.0
   43    49    56    57  -0.14650 -1.0 2.0
   43    49    56    57   0.33350  1.0 3.0
   43    49    56    58   0.15000  1.0 3.0
   43    49    56    59   0.15000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    55   0.23400  1.0 3.0
   44    43    49    56   0.15000  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   50    49    55    39   0.37050  1.0 3.0
   50    49    56    57   0.27000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   55    39    40    41   0.23400  1.0 3.0
   55    39   -40    43   0.62750  1.0 1.0
   55    39   -40    43  -0.30950 -1.0 2.0
   55    39   -40    43   0.27300  1.0 3.0
   55    39    40    45   3.69350  1.0 1.0
   55    39    40    45  -1.82950 -1.0 2.0
   55    39    42    47  -0.53350  1.0 1.0
   55    39    42    47  -0.78350 -1.0 2.0
   55    39    42    47   0.33750  1.0 3.0
   55    49    56    57   0.56750  1.0 1.0
   55    49    56    57  -0.07550 -1.0 2.0
   55    49    56    57   0.20000  1.0 3.0
   55    49    56    58   0.23400  1.0 3.0
   55    49    56    59   0.23400  1.0 3.0
   56    49    55    39   0.06250  1.0 1.0
   56    49    55    39  -0.01100 -1.0 2.0
   56    49    55    39   0.28050  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    55   3.69350  1.0 1.0
   51    43    49    55  -1.82950 -1.0 2.0
   51    43    49    56   0.86500  1.0 1.0
   51    43    49    56  -0.17500 -1.0 2.0
   51    43    49    56   0.20800  1.0 3.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.86500  1.0 1.0
   45    40    43    49  -0.17500 -1.0 2.0
   45    40    43    49   0.20800  1.0 3.0
   45    40    43    51   3.75450  1.0 1.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    43   0.62750  1.0 1.0
   42    39    40    43  -0.30950 -1.0 2.0
   42    39    40    43   0.27300  1.0 3.0
   42    39    40    45   3.69350  1.0 1.0
   42    39    40    45  -1.82950 -1.0 2.0
   42    39    55    49  -0.53350  1.0 1.0
   42    39    55    49  -0.78350 -1.0 2.0
   42    39    55    49   0.33750  1.0 3.0
   42    47    53    54   0.23400  1.0 3.0
   42    47    53    60   0.62750  1.0 1.0
   42    47    53    60  -0.30950 -1.0 2.0
   42    47    53    60   0.27300  1.0 3.0
   42    47    53    62   3.69350  1.0 1.0
   42    47    53    62  -1.82950 -1.0 2.0
   42    47    71    69  -0.81800  1.0 1.0
   47    53    60    61   0.15000  1.0 3.0
   47    53    60    64   3.97050  1.0 1.0
   47    53    60    67   0.86500  1.0 1.0
   47    53    60    67  -0.17500 -1.0 2.0
   47    53    60    67   0.20800  1.0 3.0
   47    53    62    63  -0.11600  1.0 1.0
   47    53    62    63  -0.09450 -1.0 2.0
   47    53    62    63   0.21250  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    60   0.15000  1.0 3.0
   48    47    53    62   0.23400  1.0 3.0
   48    47    71    69   0.37050  1.0 3.0
   53    47    71    69   0.06250  1.0 1.0
   53    47    71    69  -0.01100 -1.0 2.0
   53    47    71    69   0.28050  1.0 3.0
   53    60    64    65   0.35600  1.0 1.0
   53    60    64    65  -0.14650 -1.0 2.0
   53    60    64    65   0.33350  1.0 3.0
   53    60    64    66   0.15000  1.0 3.0
   53    60   -64    69   0.56750  1.0 1.0
   53    60   -64    69  -0.07550 -1.0 2.0
   53    60   -64    69   0.20000  1.0 3.0
   53    60    67    68  -0.11600  1.0 1.0
   53    60    67    68  -0.09450 -1.0 2.0
   53    60    67    68   0.21250  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    64   0.15000  1.0 3.0
   54    53    60    67   0.23400  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   60    53    62    63  -0.11600  1.0 1.0
   60    53    62    63  -0.09450 -1.0 2.0
   60    53    62    63   0.21250  1.0 3.0
   60    64    69    70   0.15000  1.0 3.0
   60    64    69    71   0.62750  1.0 1.0
   60    64    69    71  -0.30950 -1.0 2.0
   60    64    69    71   0.27300  1.0 3.0
   60    64    69    72   0.56750  1.0 1.0
   60    64    69    72  -0.07550 -1.0 2.0
   60    64    69    72   0.20000  1.0 3.0
   61    60    64    65   0.27000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    69   0.15000  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   64    60    67    68  -0.11600  1.0 1.0
   64    60    67    68  -0.09450 -1.0 2.0
   64    60    67    68   0.21250  1.0 3.0
   64    69   -71    47   0.06250  1.0 1.0
   64    69   -71    47  -0.01100 -1.0 2.0
   64    69   -71    47   0.28050  1.0 3.0
   64    69    72    73   0.15000  1.0 3.0
   64    69    72    74   0.15000  1.0 3.0
   64    69    72    75   0.86500  1.0 1.0
   64    69    72    75  -0.17500 -1.0 2.0
   64    69    72    75   0.20800  1.0 3.0
   65    64    69    70   0.27000  1.0 3.0
   65    64    69    71   0.56750  1.0 1.0
   65    64    69    71  -0.07550 -1.0 2.0
   65    64    69    71   0.20000  1.0 3.0
   65    64    69    72   0.35600  1.0 1.0
   65    64    69    72  -0.14650 -1.0 2.0
   65    64    69    72   0.33350  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.23400  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   69    72    75    76  -0.11600  1.0 1.0
   69    72    75    76  -0.09450 -1.0 2.0
   69    72    75    76   0.21250  1.0 3.0
   70    69    71    47   0.37050  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    75   0.23400  1.0 3.0
   71    47    53    54   0.23400  1.0 3.0
   71    47   -53    60   0.62750  1.0 1.0
   71    47   -53    60  -0.30950 -1.0 2.0
   71    47   -53    60   0.27300  1.0 3.0
   71    47    53    62   3.69350  1.0 1.0
   71    47    53    62  -1.82950 -1.0 2.0
   71    69    72    73   0.23400  1.0 3.0
   71    69    72    74   0.23400  1.0 3.0
   71    69    72    75   3.69350  1.0 1.0
   71    69    72    75  -1.82950 -1.0 2.0
   72    69    71    47   0.06250  1.0 1.0
   72    69    71    47  -0.01100 -1.0 2.0
   72    69    71    47   0.28050  1.0 3.0
   73    72    75    76   0.19450  1.0 3.0
   74    72    75    76   0.19450  1.0 3.0
   67    60    64    65   0.56750  1.0 1.0
   67    60    64    65  -0.07550 -1.0 2.0
   67    60    64    65   0.20000  1.0 3.0
   67    60    64    66   0.23400  1.0 3.0
   67    60    64    69   0.86500  1.0 1.0
   67    60    64    69  -0.17500 -1.0 2.0
   67    60    64    69   0.20800  1.0 3.0
   62    53    60    61   0.23400  1.0 3.0
   62    53    60    64   0.86500  1.0 1.0
   62    53    60    64  -0.17500 -1.0 2.0
   62    53    60    64   0.20800  1.0 3.0
   62    53    60    67   3.75450  1.0 1.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
END
